*HEADER    HYDROLASE                               21-JAN-15   2MY9              
*TITLE     SOLUTION STRUCTURE OF N-TERMINAL DOMAIN OF HUMAN TIG3                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RETINOIC ACID RECEPTOR RESPONDER PROTEIN 3;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN (UNP RESIDUES 1-125);                    
*COMPND   5 SYNONYM: HRAS-LIKE SUPPRESSOR 4, HRSL4, RAR-RESPONSIVE PROTEIN TIG3, 
*COMPND   6 RETINOID-INDUCIBLE GENE 1 PROTEIN, TAZAROTENE-INDUCED GENE 3 PROTEIN;
*COMPND   7 EC: 3.1.1.-;                                                         
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: RARRES3, RIG1, TIG3;                                           
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: ROSETTA;                                   
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET21A                                     
*KEYWDS    TIG3, H-REV107 FAMILY, NLPC/P60, PHOSPHOLIPASE, HYDROLASE             
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    H.WEI, L.WANG, B.XIA                                                  
*REVDAT   1   15-APR-15 2MY9    0                                                


# 1948 atoms read from pdb file tig3_0711.pdb.
# 6 GLN PSI:  (6 GLN N)-(6 GLN CA)-(6 GLN C)-(7 GLU N) 100.0 178.1
 &rst     iat =    72,    74,    87,    89,
   r1 =  99.0, r2 = 100.0, r3 = 178.1, r4 = 179.1,
   rk2 =   50.0, rk3 =   50.0,    &end

# 6 GLN PHI:  (5 HIS C)-(6 GLN N)-(6 GLN CA)-(6 GLN C) -180.0   0.0
 &rst     iat =    70,    72,    74,    87,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 7 GLU PSI:  (7 GLU N)-(7 GLU CA)-(7 GLU C)-(8 PRO N) 104.7 164.7
 &rst     iat =    89,    91,   102,   104,
   r1 = 103.7, r2 = 104.7, r3 = 164.7, r4 = 165.7,
 &end

# 9 LYS PHI:  (8 PRO C)-(9 LYS N)-(9 LYS CA)-(9 LYS C) -129.5 -69.5
 &rst     iat =   116,   118,   120,   138,
   r1 = -130.5, r2 = -129.5, r3 = -69.5, r4 = -68.5,
 &end

# 9 LYS PSI:  (9 LYS N)-(9 LYS CA)-(9 LYS C)-(10 PRO N)  79.9 170.0
 &rst     iat =   118,   120,   138,   140,
   r1 =  78.9, r2 =  79.9, r3 = 170.0, r4 = 171.0,
 &end

# 14 ILE PHI:  (13 LEU C)-(14 ILE N)-(14 ILE CA)-(14 ILE C) -150.2 -90.2
 &rst     iat =   190,   192,   194,   209,
   r1 = -151.2, r2 = -150.2, r3 = -90.2, r4 = -89.2,
 &end

# 14 ILE PSI:  (14 ILE N)-(14 ILE CA)-(14 ILE C)-(15 GLU N) 106.7 166.7
 &rst     iat =   192,   194,   209,   211,
   r1 = 105.7, r2 = 106.7, r3 = 166.7, r4 = 167.7,
 &end

# 15 GLU PHI:  (14 ILE C)-(15 GLU N)-(15 GLU CA)-(15 GLU C) -146.8 -86.8
 &rst     iat =   209,   211,   213,   224,
   r1 = -147.8, r2 = -146.8, r3 = -86.8, r4 = -85.8,
 &end

# 15 GLU PSI:  (15 GLU N)-(15 GLU CA)-(15 GLU C)-(16 ILE N)  99.6 159.6
 &rst     iat =   211,   213,   224,   226,
   r1 =  98.6, r2 =  99.6, r3 = 159.6, r4 = 160.6,
 &end

# 16 ILE PHI:  (15 GLU C)-(16 ILE N)-(16 ILE CA)-(16 ILE C) -137.9 -78.0
 &rst     iat =   224,   226,   228,   243,
   r1 = -138.9, r2 = -137.9, r3 = -78.0, r4 = -77.0,
 &end

# 16 ILE PSI:  (16 ILE N)-(16 ILE CA)-(16 ILE C)-(17 PHE N)  94.7 154.7
 &rst     iat =   226,   228,   243,   245,
   r1 =  93.7, r2 =  94.7, r3 = 154.7, r4 = 155.7,
 &end

# 17 PHE PHI:  (16 ILE C)-(17 PHE N)-(17 PHE CA)-(17 PHE C) -127.6 -54.4
 &rst     iat =   243,   245,   247,   263,
   r1 = -128.6, r2 = -127.6, r3 = -54.4, r4 = -53.4,
 &end

# 17 PHE PSI:  (17 PHE N)-(17 PHE CA)-(17 PHE C)-(18 ARG N)  52.6 157.6
 &rst     iat =   245,   247,   263,   265,
   r1 =  51.6, r2 =  52.6, r3 = 157.6, r4 = 158.6,
 &end

# 21 ASN PHI:  (20 GLY C)-(21 TYR N)-(21 TYR CA)-(21 TYR C) -180.0   0.0
 &rst     iat =   313,   315,   317,   334,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 22 GLU PHI:  (21 TYR C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) -152.4 -64.8
 &rst     iat =   334,   336,   338,   349,
   r1 = -153.4, r2 = -152.4, r3 = -64.8, r4 = -63.8,
 &end

# 22 GLU PSI:  (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 HIS N) 108.3 168.3
 &rst     iat =   336,   338,   349,   351,
   r1 = 107.3, r2 = 108.3, r3 = 168.3, r4 = 169.3,
 &end

# 23 HIS PHI:  (22 GLU C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -163.1 -103.1
 &rst     iat =   349,   351,   353,   366,
   r1 = -164.1, r2 = -163.1, r3 = -103.1, r4 = -102.1,
 &end

# 23 HIS PSI:  (23 HIS N)-(23 HIS CA)-(23 HIS C)-(24 TRP N) 118.0 178.0
 &rst     iat =   351,   353,   366,   368,
   r1 = 117.0, r2 = 118.0, r3 = 178.0, r4 = 179.0,
 &end

# 24 TRP PHI:  (23 HIS C)-(24 TRP N)-(24 TRP CA)-(24 TRP C) -155.6 -95.6
 &rst     iat =   366,   368,   370,   390,
   r1 = -156.6, r2 = -155.6, r3 = -95.6, r4 = -94.6,
 &end

# 24 TRP PSI:  (24 TRP N)-(24 TRP CA)-(24 TRP C)-(25 ALA N) 111.3 171.3
 &rst     iat =   368,   370,   390,   392,
   r1 = 110.3, r2 = 111.3, r3 = 171.3, r4 = 172.3,
 &end

# 25 ALA PHI:  (24 TRP C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -164.6 -104.6
 &rst     iat =   390,   392,   394,   400,
   r1 = -165.6, r2 = -164.6, r3 = -104.6, r4 = -103.6,
 &end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 LEU N) 108.0 168.0
 &rst     iat =   392,   394,   400,   402,
   r1 = 107.0, r2 = 108.0, r3 = 168.0, r4 = 169.0,
 &end

# 26 LEU PHI:  (25 ALA C)-(26 LEU N)-(26 LEU CA)-(26 LEU C) -154.0 -94.0
 &rst     iat =   400,   402,   404,   419,
   r1 = -155.0, r2 = -154.0, r3 = -94.0, r4 = -93.0,
 &end

# 26 LEU PSI:  (26 LEU N)-(26 LEU CA)-(26 LEU C)-(27 TYR N)  99.1 159.1
 &rst     iat =   402,   404,   419,   421,
   r1 =  98.1, r2 =  99.1, r3 = 159.1, r4 = 160.1,
 &end

# 33 VAL PHI:  (32 TYR C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -163.1 -103.1
 &rst     iat =   506,   508,   510,   522,
   r1 = -164.1, r2 = -163.1, r3 = -103.1, r4 = -102.1,
 &end

# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 ILE N) 127.3 187.3
 &rst     iat =   508,   510,   522,   524,
   r1 = 126.3, r2 = 127.3, r3 = 187.3, r4 = 188.3,
 &end

# 34 ILE PHI:  (33 VAL C)-(34 ILE N)-(34 ILE CA)-(34 ILE C) -140.9 -80.9
 &rst     iat =   522,   524,   526,   541,
   r1 = -141.9, r2 = -140.9, r3 = -80.9, r4 = -79.9,
 &end

# 34 ILE PSI:  (34 ILE N)-(34 ILE CA)-(34 ILE C)-(35 HIS N) 112.2 172.2
 &rst     iat =   524,   526,   541,   543,
   r1 = 111.2, r2 = 112.2, r3 = 172.2, r4 = 173.2,
 &end

# 35 HIS PHI:  (34 ILE C)-(35 HIS N)-(35 HIS CA)-(35 HIS C) -165.8 -105.8
 &rst     iat =   541,   543,   545,   558,
   r1 = -166.8, r2 = -165.8, r3 = -105.8, r4 = -104.8,
 &end

# 35 HIS PSI:  (35 HIS N)-(35 HIS CA)-(35 HIS C)-(36 LEU N) 116.2 176.2
 &rst     iat =   543,   545,   558,   560,
   r1 = 115.2, r2 = 116.2, r3 = 176.2, r4 = 177.2,
 &end

# 36 LEU PHI:  (35 HIS C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -128.5 -68.5
 &rst     iat =   558,   560,   562,   577,
   r1 = -129.5, r2 = -128.5, r3 = -68.5, r4 = -67.5,
 &end

# 36 LEU PSI:  (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 ALA N)  93.1 153.1
 &rst     iat =   560,   562,   577,   579,
   r1 =  92.1, r2 =  93.1, r3 = 153.1, r4 = 154.1,
 &end

# 37 ALA PHI:  (36 LEU C)-(37 ALA N)-(37 ALA CA)-(37 ALA C) -124.0 -51.4
 &rst     iat =   577,   579,   581,   587,
   r1 = -125.0, r2 = -124.0, r3 = -51.4, r4 = -50.4,
 &end

# 37 ALA PSI:  (37 ALA N)-(37 ALA CA)-(37 ALA C)-(38 PRO N) 103.8 163.8
 &rst     iat =   579,   581,   587,   589,
   r1 = 102.8, r2 = 103.8, r3 = 163.8, r4 = 164.8,
 &end

# 57 SER PHI:  (56 ASN C)-(57 SER N)-(57 SER CA)-(57 SER C) -166.0 -60.4
 &rst     iat =   840,   842,   844,   851,
   r1 = -167.0, r2 = -166.0, r3 = -60.4, r4 = -59.4,
 &end

# 57 SER PSI:  (57 SER N)-(57 SER CA)-(57 SER C)-(58 ALA N) 113.1 173.1
 &rst     iat =   842,   844,   851,   853,
   r1 = 112.1, r2 = 113.1, r3 = 173.1, r4 = 174.1,
 &end

# 58 ALA PHI:  (57 SER C)-(58 ALA N)-(58 ALA CA)-(58 ALA C) -153.6 -76.7
 &rst     iat =   851,   853,   855,   861,
   r1 = -154.6, r2 = -153.6, r3 = -76.7, r4 = -75.7,
 &end

# 58 ALA PSI:  (58 ALA N)-(58 ALA CA)-(58 ALA C)-(59 GLU N) 107.3 177.5
 &rst     iat =   853,   855,   861,   863,
   r1 = 106.3, r2 = 107.3, r3 = 177.5, r4 = 178.5,
 &end

# 59 GLU PHI:  (58 ALA C)-(59 GLU N)-(59 GLU CA)-(59 GLU C) -160.6 -100.6
 &rst     iat =   861,   863,   865,   876,
   r1 = -161.6, r2 = -160.6, r3 = -100.6, r4 = -99.6,
 &end

# 59 GLU PSI:  (59 GLU N)-(59 GLU CA)-(59 GLU C)-(60 VAL N) 110.2 170.2
 &rst     iat =   863,   865,   876,   878,
   r1 = 109.2, r2 = 110.2, r3 = 170.2, r4 = 171.2,
 &end

# 60 VAL PHI:  (59 GLU C)-(60 VAL N)-(60 VAL CA)-(60 VAL C) -116.6 -56.6
 &rst     iat =   876,   878,   880,   892,
   r1 = -117.6, r2 = -116.6, r3 = -56.6, r4 = -55.6,
 &end

# 60 VAL PSI:  (60 VAL N)-(60 VAL CA)-(60 VAL C)-(61 LYS N)  93.7 153.7
 &rst     iat =   878,   880,   892,   894,
   r1 =  92.7, r2 =  93.7, r3 = 153.7, r4 = 154.7,
 &end

# 61 LYS PHI:  (60 VAL C)-(61 LYS N)-(61 LYS CA)-(61 LYS C) -145.6 -85.6
 &rst     iat =   892,   894,   896,   914,
   r1 = -146.6, r2 = -145.6, r3 = -85.6, r4 = -84.6,
 &end

# 61 LYS PSI:  (61 LYS N)-(61 LYS CA)-(61 LYS C)-(62 ARG N) 111.3 171.3
 &rst     iat =   894,   896,   914,   916,
   r1 = 110.3, r2 = 111.3, r3 = 171.3, r4 = 172.3,
 &end

# 62 ARG PHI:  (61 LYS C)-(62 ARG N)-(62 ARG CA)-(62 ARG C) -149.5 -89.5
 &rst     iat =   914,   916,   918,   938,
   r1 = -150.5, r2 = -149.5, r3 = -89.5, r4 = -88.5,
 &end

# 62 ARG PSI:  (62 ARG N)-(62 ARG CA)-(62 ARG C)-(63 GLU N)  94.0 154.0
 &rst     iat =   916,   918,   938,   940,
   r1 =  93.0, r2 =  94.0, r3 = 154.0, r4 = 155.0,
 &end

# 63 GLU PHI:  (62 ARG C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -168.8 -108.8
 &rst     iat =   938,   940,   942,   953,
   r1 = -169.8, r2 = -168.8, r3 = -108.8, r4 = -107.8,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 ARG N) 126.2 186.2
 &rst     iat =   940,   942,   953,   955,
   r1 = 125.2, r2 = 126.2, r3 = 186.2, r4 = 187.2,
 &end

# 65 LEU PHI:  (64 ARG C)-(65 LEU N)-(65 LEU CA)-(65 LEU C) -92.3 -32.3
 &rst     iat =   977,   979,   981,   996,
   r1 = -93.3, r2 = -92.3, r3 = -32.3, r4 = -31.3,
 &end

# 65 LEU PSI:  (65 LEU N)-(65 LEU CA)-(65 LEU C)-(66 GLU N) -73.4 -13.4
 &rst     iat =   979,   981,   996,   998,
   r1 = -74.4, r2 = -73.4, r3 = -13.4, r4 = -12.4,
 &end

# 66 GLU PHI:  (65 LEU C)-(66 GLU N)-(66 GLU CA)-(66 GLU C) -90.5 -30.5
 &rst     iat =   996,   998,  1000,  1011,
   r1 = -91.5, r2 = -90.5, r3 = -30.5, r4 = -29.5,
 &end

# 66 GLU PSI:  (66 GLU N)-(66 GLU CA)-(66 GLU C)-(67 ASP N) -70.5 -10.5
 &rst     iat =   998,  1000,  1011,  1013,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 67 ASP PHI:  (66 GLU C)-(67 ASP N)-(67 ASP CA)-(67 ASP C) -95.9 -35.9
 &rst     iat =  1011,  1013,  1015,  1023,
   r1 = -96.9, r2 = -95.9, r3 = -35.9, r4 = -34.9,
 &end

# 67 ASP PSI:  (67 ASP N)-(67 ASP CA)-(67 ASP C)-(68 VAL N) -75.8 -15.8
 &rst     iat =  1013,  1015,  1023,  1025,
   r1 = -76.8, r2 = -75.8, r3 = -15.8, r4 = -14.8,
 &end

# 68 VAL PHI:  (67 ASP C)-(68 VAL N)-(68 VAL CA)-(68 VAL C) -94.6 -34.6
 &rst     iat =  1023,  1025,  1027,  1039,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end

# 68 VAL PSI:  (68 VAL N)-(68 VAL CA)-(68 VAL C)-(69 VAL N) -72.1 -12.1
 &rst     iat =  1025,  1027,  1039,  1041,
   r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1,
 &end

# 69 VAL PHI:  (68 VAL C)-(69 VAL N)-(69 VAL CA)-(69 VAL C) -95.7 -35.7
 &rst     iat =  1039,  1041,  1043,  1055,
   r1 = -96.7, r2 = -95.7, r3 = -35.7, r4 = -34.7,
 &end

# 69 VAL PSI:  (69 VAL N)-(69 VAL CA)-(69 VAL C)-(70 GLY N) -71.2  -1.2
 &rst     iat =  1041,  1043,  1055,  1057,
   r1 = -72.2, r2 = -71.2, r3 =  -1.2, r4 =  -0.2,
 &end

# 72 CYS PHI:  (71 GLY C)-(72 CYS N)-(72 CYS CA)-(72 CYS C) -126.0 -35.9
 &rst     iat =  1069,  1071,  1073,  1080,
   r1 = -127.0, r2 = -126.0, r3 = -35.9, r4 = -34.9,
 &end

# 75 ARG PHI:  (74 TYR C)-(75 ARG N)-(75 ARG CA)-(75 ARG C) -160.7 -100.7
 &rst     iat =  1112,  1114,  1116,  1136,
   r1 = -161.7, r2 = -160.7, r3 = -100.7, r4 = -99.7,
 &end

# 75 ARG PSI:  (75 ARG N)-(75 ARG CA)-(75 ARG C)-(76 VAL N) 113.3 173.3
 &rst     iat =  1114,  1116,  1136,  1138,
   r1 = 112.3, r2 = 113.3, r3 = 173.3, r4 = 174.3,
 &end

# 76 VAL PHI:  (75 ARG C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -127.5 -67.5
 &rst     iat =  1136,  1138,  1140,  1152,
   r1 = -128.5, r2 = -127.5, r3 = -67.5, r4 = -66.5,
 &end

# 76 VAL PSI:  (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 ASN N)  97.4 157.4
 &rst     iat =  1138,  1140,  1152,  1154,
   r1 =  96.4, r2 =  97.4, r3 = 157.4, r4 = 158.4,
 &end

# 77 ASN PHI:  (76 VAL C)-(77 ASN N)-(77 ASN CA)-(77 ASN C) -168.4 -65.3
 &rst     iat =  1152,  1154,  1156,  1166,
   r1 = -169.4, r2 = -168.4, r3 = -65.3, r4 = -64.3,
 &end

# 77 ASN PSI:  (77 ASN N)-(77 ASN CA)-(77 ASN C)-(78 ASN N)  45.0 147.3
 &rst     iat =  1154,  1156,  1166,  1168,
   r1 =  44.0, r2 =  45.0, r3 = 147.3, r4 = 148.3,
 &end

# 79 SER PHI:  (78 ASN C)-(79 SER N)-(79 SER CA)-(79 SER C) -89.2 -29.1
 &rst     iat =  1180,  1182,  1184,  1191,
   r1 = -90.2, r2 = -89.2, r3 = -29.1, r4 = -28.1,
 &end

# 79 SER PSI:  (79 SER N)-(79 SER CA)-(79 SER C)-(80 LEU N) -54.8   5.2
 &rst     iat =  1182,  1184,  1191,  1193,
   r1 = -55.8, r2 = -54.8, r3 =   5.2, r4 =   6.2,
 &end

# 80 LEU PHI:  (79 SER C)-(80 LEU N)-(80 LEU CA)-(80 LEU C) -100.0 -40.0
 &rst     iat =  1191,  1193,  1195,  1210,
   r1 = -101.0, r2 = -100.0, r3 = -40.0, r4 = -39.0,
 &end

# 80 LEU PSI:  (80 LEU N)-(80 LEU CA)-(80 LEU C)-(81 ASP N) -61.3  -1.3
 &rst     iat =  1193,  1195,  1210,  1212,
   r1 = -62.3, r2 = -61.3, r3 =  -1.3, r4 =  -0.3,
 &end

# 81 ASP PHI:  (80 LEU C)-(81 ASP N)-(81 ASP CA)-(81 ASP C) -98.7 -38.7
 &rst     iat =  1210,  1212,  1214,  1222,
   r1 = -99.7, r2 = -98.7, r3 = -38.7, r4 = -37.7,
 &end

# 81 ASP PSI:  (81 ASP N)-(81 ASP CA)-(81 ASP C)-(82 HIS N) -66.9  -6.9
 &rst     iat =  1212,  1214,  1222,  1224,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 85 GLN PHI:  (84 TYR C)-(85 GLN N)-(85 GLN CA)-(85 GLN C) -145.7 -66.5
 &rst     iat =  1275,  1277,  1279,  1292,
   r1 = -146.7, r2 = -145.7, r3 = -66.5, r4 = -65.5,
 &end

# 85 GLN PSI:  (85 GLN N)-(85 GLN CA)-(85 GLN C)-(86 PRO N)  82.6 159.5
 &rst     iat =  1277,  1279,  1292,  1294,
   r1 =  81.6, r2 =  82.6, r3 = 159.5, r4 = 160.5,
 &end

# 87 ARG PHI:  (86 PRO C)-(87 ARG N)-(87 ARG CA)-(87 ARG C) -140.0 -57.7
 &rst     iat =  1306,  1308,  1310,  1330,
   r1 = -141.0, r2 = -140.0, r3 = -57.7, r4 = -56.7,
 &end

# 87 ARG PSI:  (87 ARG N)-(87 ARG CA)-(87 ARG C)-(88 PRO N) 113.0 173.0
 &rst     iat =  1308,  1310,  1330,  1332,
   r1 = 112.0, r2 = 113.0, r3 = 173.0, r4 = 174.0,
 &end

# 89 VAL PHI:  (88 PRO C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -83.1 -23.1
 &rst     iat =  1344,  1346,  1348,  1360,
   r1 = -84.1, r2 = -83.1, r3 = -23.1, r4 = -22.1,
 &end

# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 GLU N) -73.2 -13.2
 &rst     iat =  1346,  1348,  1360,  1362,
   r1 = -74.2, r2 = -73.2, r3 = -13.2, r4 = -12.2,
 &end

# 90 GLU PHI:  (89 VAL C)-(90 GLU N)-(90 GLU CA)-(90 GLU C) -92.8 -32.8
 &rst     iat =  1360,  1362,  1364,  1375,
   r1 = -93.8, r2 = -92.8, r3 = -32.8, r4 = -31.8,
 &end

# 90 GLU PSI:  (90 GLU N)-(90 GLU CA)-(90 GLU C)-(91 VAL N) -70.1 -10.1
 &rst     iat =  1362,  1364,  1375,  1377,
   r1 = -71.1, r2 = -70.1, r3 = -10.1, r4 =  -9.1,
 &end

# 91 VAL PHI:  (90 GLU C)-(91 VAL N)-(91 VAL CA)-(91 VAL C) -96.8 -36.8
 &rst     iat =  1375,  1377,  1379,  1391,
   r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
 &end

# 91 VAL PSI:  (91 VAL N)-(91 VAL CA)-(91 VAL C)-(92 ILE N) -72.4 -12.4
 &rst     iat =  1377,  1379,  1391,  1393,
   r1 = -73.4, r2 = -72.4, r3 = -12.4, r4 = -11.4,
 &end

# 92 ILE PHI:  (91 VAL C)-(92 ILE N)-(92 ILE CA)-(92 ILE C) -93.1 -33.1
 &rst     iat =  1391,  1393,  1395,  1410,
   r1 = -94.1, r2 = -93.1, r3 = -33.1, r4 = -32.1,
 &end

# 92 ILE PSI:  (92 ILE N)-(92 ILE CA)-(92 ILE C)-(93 ILE N) -73.8 -13.8
 &rst     iat =  1393,  1395,  1410,  1412,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end

# 93 ILE PHI:  (92 ILE C)-(93 ILE N)-(93 ILE CA)-(93 ILE C) -94.0 -34.0
 &rst     iat =  1410,  1412,  1414,  1429,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 93 ILE PSI:  (93 ILE N)-(93 ILE CA)-(93 ILE C)-(94 SER N) -69.0  -9.0
 &rst     iat =  1412,  1414,  1429,  1431,
   r1 = -70.0, r2 = -69.0, r3 =  -9.0, r4 =  -8.0,
 &end

# 94 SER PHI:  (93 ILE C)-(94 SER N)-(94 SER CA)-(94 SER C) -93.4 -33.4
 &rst     iat =  1429,  1431,  1433,  1440,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 94 SER PSI:  (94 SER N)-(94 SER CA)-(94 SER C)-(95 SER N) -73.1 -13.1
 &rst     iat =  1431,  1433,  1440,  1442,
   r1 = -74.1, r2 = -73.1, r3 = -13.1, r4 = -12.1,
 &end

# 95 SER PHI:  (94 SER C)-(95 SER N)-(95 SER CA)-(95 SER C) -94.7 -34.7
 &rst     iat =  1440,  1442,  1444,  1451,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end

# 95 SER PSI:  (95 SER N)-(95 SER CA)-(95 SER C)-(96 ALA N) -75.3 -15.4
 &rst     iat =  1442,  1444,  1451,  1453,
   r1 = -76.3, r2 = -75.3, r3 = -15.4, r4 = -14.4,
 &end

# 96 ALA PHI:  (95 SER C)-(96 ALA N)-(96 ALA CA)-(96 ALA C) -92.6 -32.6
 &rst     iat =  1451,  1453,  1455,  1461,
   r1 = -93.6, r2 = -92.6, r3 = -32.6, r4 = -31.6,
 &end

# 96 ALA PSI:  (96 ALA N)-(96 ALA CA)-(96 ALA C)-(97 LYS N) -72.3 -12.3
 &rst     iat =  1453,  1455,  1461,  1463,
   r1 = -73.3, r2 = -72.3, r3 = -12.3, r4 = -11.3,
 &end

# 97 LYS PHI:  (96 ALA C)-(97 LYS N)-(97 LYS CA)-(97 LYS C) -89.0 -29.0
 &rst     iat =  1461,  1463,  1465,  1483,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end

# 97 LYS PSI:  (97 LYS N)-(97 LYS CA)-(97 LYS C)-(98 GLU N) -71.4 -11.4
 &rst     iat =  1463,  1465,  1483,  1485,
   r1 = -72.4, r2 = -71.4, r3 = -11.4, r4 = -10.4,
 &end

# 98 GLU PHI:  (97 LYS C)-(98 GLU N)-(98 GLU CA)-(98 GLU C) -101.2 -41.2
 &rst     iat =  1483,  1485,  1487,  1498,
   r1 = -102.2, r2 = -101.2, r3 = -41.2, r4 = -40.2,
 &end

# 98 GLU PSI:  (98 GLU N)-(98 GLU CA)-(98 GLU C)-(99 MET N) -71.6 -11.6
 &rst     iat =  1485,  1487,  1498,  1500,
   r1 = -72.6, r2 = -71.6, r3 = -11.6, r4 = -10.6,
 &end

# 99 MET PHI:  (98 GLU C)-(99 MET N)-(99 MET CA)-(99 MET C) -119.7 -59.7
 &rst     iat =  1498,  1500,  1502,  1515,
   r1 = -120.7, r2 = -119.7, r3 = -59.7, r4 = -58.7,
 &end

# 99 MET PSI:  (99 MET N)-(99 MET CA)-(99 MET C)-(100 VAL N) -50.1   9.9
 &rst     iat =  1500,  1502,  1515,  1517,
   r1 = -51.1, r2 = -50.1, r3 =   9.9, r4 =  10.9,
 &end

# 100 VAL PHI:  (99 MET C)-(100 VAL N)-(100 VAL CA)-(100 VAL C) -89.4 -29.4
 &rst     iat =  1515,  1517,  1519,  1531,
   r1 = -90.4, r2 = -89.4, r3 = -29.4, r4 = -28.4,
 &end

# 100 VAL PSI:  (100 VAL N)-(100 VAL CA)-(100 VAL C)-(101 GLY N) 107.7 167.7
 &rst     iat =  1517,  1519,  1531,  1533,
   r1 = 106.7, r2 = 107.7, r3 = 167.7, r4 = 168.7,
 &end

# 103 LYS PHI:  (102 GLN C)-(103 LYS N)-(103 LYS CA)-(103 LYS C) -155.3 -95.3
 &rst     iat =  1555,  1557,  1559,  1577,
   r1 = -156.3, r2 = -155.3, r3 = -95.3, r4 = -94.3,
 &end

# 103 LYS PSI:  (103 LYS N)-(103 LYS CA)-(103 LYS C)-(104 MET N) 113.4 173.4
 &rst     iat =  1557,  1559,  1577,  1579,
   r1 = 112.4, r2 = 113.4, r3 = 173.4, r4 = 174.4,
 &end

# 104 MET PHI:  (103 LYS C)-(104 MET N)-(104 MET CA)-(104 MET C) -169.6 -109.6
 &rst     iat =  1577,  1579,  1581,  1594,
   r1 = -170.6, r2 = -169.6, r3 = -109.6, r4 = -108.6,
 &end

# 104 MET PSI:  (104 MET N)-(104 MET CA)-(104 MET C)-(105 LYS N) 109.2 187.2
 &rst     iat =  1579,  1581,  1594,  1596,
   r1 = 108.2, r2 = 109.2, r3 = 187.2, r4 = 188.2,
 &end

# 105 LYS PHI:  (104 MET C)-(105 LYS N)-(105 LYS CA)-(105 LYS C) -129.2 -46.9
 &rst     iat =  1594,  1596,  1598,  1616,
   r1 = -130.2, r2 = -129.2, r3 = -46.9, r4 = -45.9,
 &end

# 105 LYS PSI:  (105 LYS N)-(105 LYS CA)-(105 LYS C)-(106 TYR N) 114.2 185.0
 &rst     iat =  1596,  1598,  1616,  1618,
   r1 = 113.2, r2 = 114.2, r3 = 185.0, r4 = 186.0,
 &end

# 112 ASN PHI:  (111 ARG C)-(112 ASN N)-(112 ASN CA)-(112 ASN C) -180.0   0.0
 &rst     iat =  1718,  1720,  1722,  1732,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 112 ASN PSI:  (112 ASN N)-(112 ASN CA)-(112 ASN C)-(113 CYS N) -65.0   5.0
 &rst     iat =  1720,  1722,  1732,  1734,
   r1 = -66.0, r2 = -65.0, r3 =   5.0, r4 =   6.0,
 &end

# 113 CYS PHI:  (112 ASN C)-(113 CYS N)-(113 CYS CA)-(113 CYS C) -98.6 -38.6
 &rst     iat =  1732,  1734,  1736,  1743,
   r1 = -99.6, r2 = -98.6, r3 = -38.6, r4 = -37.6,
 &end

# 113 CYS PSI:  (113 CYS N)-(113 CYS CA)-(113 CYS C)-(114 GLU N) -65.4  -5.4
 &rst     iat =  1734,  1736,  1743,  1745,
   r1 = -66.4, r2 = -65.4, r3 =  -5.4, r4 =  -4.4,
 &end

# 114 GLU PHI:  (113 CYS C)-(114 GLU N)-(114 GLU CA)-(114 GLU C) -95.2 -35.2
 &rst     iat =  1743,  1745,  1747,  1758,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 114 GLU PSI:  (114 GLU N)-(114 GLU CA)-(114 GLU C)-(115 HIS N) -71.0 -11.0
 &rst     iat =  1745,  1747,  1758,  1760,
   r1 = -72.0, r2 = -71.0, r3 = -11.0, r4 = -10.0,
 &end

# 115 HIS PHI:  (114 GLU C)-(115 HIS N)-(115 HIS CA)-(115 HIS C) -93.5 -33.5
 &rst     iat =  1758,  1760,  1762,  1775,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 115 HIS PSI:  (115 HIS N)-(115 HIS CA)-(115 HIS C)-(116 PHE N) -70.8 -10.8
 &rst     iat =  1760,  1762,  1775,  1777,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end

# 116 PHE PHI:  (115 HIS C)-(116 PHE N)-(116 PHE CA)-(116 PHE C) -98.9 -38.9
 &rst     iat =  1775,  1777,  1779,  1795,
   r1 = -99.9, r2 = -98.9, r3 = -38.9, r4 = -37.9,
 &end

# 116 PHE PSI:  (116 PHE N)-(116 PHE CA)-(116 PHE C)-(117 VAL N) -71.1 -11.1
 &rst     iat =  1777,  1779,  1795,  1797,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end

# 117 VAL PHI:  (116 PHE C)-(117 VAL N)-(117 VAL CA)-(117 VAL C) -94.1 -34.1
 &rst     iat =  1795,  1797,  1799,  1811,
   r1 = -95.1, r2 = -94.1, r3 = -34.1, r4 = -33.1,
 &end

# 117 VAL PSI:  (117 VAL N)-(117 VAL CA)-(117 VAL C)-(118 THR N) -66.7  -6.7
 &rst     iat =  1797,  1799,  1811,  1813,
   r1 = -67.7, r2 = -66.7, r3 =  -6.7, r4 =  -5.7,
 &end

# 118 THR PHI:  (117 VAL C)-(118 THR N)-(118 THR CA)-(118 THR C) -95.4 -35.4
 &rst     iat =  1811,  1813,  1815,  1825,
   r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4,
 &end

# 118 THR PSI:  (118 THR N)-(118 THR CA)-(118 THR C)-(119 GLN N) -67.2  -7.2
 &rst     iat =  1813,  1815,  1825,  1827,
   r1 = -68.2, r2 = -67.2, r3 =  -7.2, r4 =  -6.2,
 &end

# 119 GLN PHI:  (118 THR C)-(119 GLN N)-(119 GLN CA)-(119 GLN C) -92.5 -32.5
 &rst     iat =  1825,  1827,  1829,  1842,
   r1 = -93.5, r2 = -92.5, r3 = -32.5, r4 = -31.5,
 &end

# 119 GLN PSI:  (119 GLN N)-(119 GLN CA)-(119 GLN C)-(120 LEU N) -75.0 -15.0
 &rst     iat =  1827,  1829,  1842,  1844,
   r1 = -76.0, r2 = -75.0, r3 = -15.0, r4 = -14.0,
 &end

# 120 LEU PHI:  (119 GLN C)-(120 LEU N)-(120 LEU CA)-(120 LEU C) -92.1 -32.1
 &rst     iat =  1842,  1844,  1846,  1861,
   r1 = -93.1, r2 = -92.1, r3 = -32.1, r4 = -31.1,
 &end

# 120 LEU PSI:  (120 LEU N)-(120 LEU CA)-(120 LEU C)-(121 ARG N) -66.8  -6.8
 &rst     iat =  1844,  1846,  1861,  1863,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end

# 121 ARG PHI:  (120 LEU C)-(121 ARG N)-(121 ARG CA)-(121 ARG C) -93.6 -33.6
 &rst     iat =  1861,  1863,  1865,  1885,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end

# 121 ARG PSI:  (121 ARG N)-(121 ARG CA)-(121 ARG C)-(122 TYR N) -65.6  -5.6
 &rst     iat =  1863,  1865,  1885,  1887,
   r1 = -66.6, r2 = -65.6, r3 =  -5.6, r4 =  -4.6,
 &end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,39,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=51,45,49,50, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=48,42,46,47, &end
#
#  chirality for residue 4 atoms:  CG N HD2 HD3
 &rst iat=45,41,43,44, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=41,53,52,48, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=57,62,60,61, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=55,70,58,59, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=74,79,77,78, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=76,82,80,81, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=72,87,75,76, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=91,96,94,95, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=93,99,97,98, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=89,102,92,93, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=114,108,112,113, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=111,105,109,110, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=108,104,106,107, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=104,116,115,111, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=120,125,123,124, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=122,128,126,127, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=128,134,132,133, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=125,131,129,130, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=118,138,121,122, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=150,144,148,149, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=147,141,145,146, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=144,140,142,143, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=140,152,151,147, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=154,159,157,158, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=163,168,166,167, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=161,171,164,165, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=177,182,186,181, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=173,190,176,177, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=194,198,202,197, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=196,205,203,204, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=192,209,195,196, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=213,218,216,217, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=215,221,219,220, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=211,224,214,215, &end
#
#  chirality for residue 16 atoms:  CA CG2 CG1 HB
 &rst iat=228,232,236,231, &end
#
#  chirality for residue 16 atoms:  CB CD1 HG12 HG13
 &rst iat=230,239,237,238, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=226,243,229,230, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=247,252,250,251, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=245,263,248,249, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=267,272,270,271, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=269,275,273,274, &end
#
#  chirality for residue 18 atoms:  CG NE HD2 HD3
 &rst iat=272,278,276,277, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=265,287,268,269, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=291,296,294,295, &end
#
#  chirality for residue 19 atoms:  CB CD1 CD2 HG
 &rst iat=293,298,302,297, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=289,306,292,293, &end
#
#  chirality for residue 20 atoms:  N C HA2 HA3
 &rst iat=308,313,311,312, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=317,322,320,321, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=315,334,318,319, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=338,343,341,342, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=340,346,344,345, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=336,349,339,340, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=353,358,356,357, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=351,366,354,355, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=370,375,373,374, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=368,390,371,372, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=392,400,395,396, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=404,409,407,408, &end
#
#  chirality for residue 26 atoms:  CB CD1 CD2 HG
 &rst iat=406,411,415,410, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=402,419,405,406, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=423,428,426,427, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=421,440,424,425, &end
#
#  chirality for residue 28 atoms:  CA CG2 CG1 HB
 &rst iat=444,448,452,447, &end
#
#  chirality for residue 28 atoms:  CB CD1 HG12 HG13
 &rst iat=446,455,453,454, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=442,459,445,446, &end
#
#  chirality for residue 29 atoms:  N C HA2 HA3
 &rst iat=461,466,464,465, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=470,475,473,474, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=468,478,471,472, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=480,485,483,484, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=489,494,492,493, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=487,506,490,491, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=510,514,518,513, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=508,522,511,512, &end
#
#  chirality for residue 34 atoms:  CA CG2 CG1 HB
 &rst iat=526,530,534,529, &end
#
#  chirality for residue 34 atoms:  CB CD1 HG12 HG13
 &rst iat=528,537,535,536, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=524,541,527,528, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=545,550,548,549, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=543,558,546,547, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=562,567,565,566, &end
#
#  chirality for residue 36 atoms:  CB CD1 CD2 HG
 &rst iat=564,569,573,568, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=560,577,563,564, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=579,587,582,583, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=599,593,597,598, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=596,590,594,595, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=593,589,591,592, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=589,601,600,596, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=613,607,611,612, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=610,604,608,609, &end
#
#  chirality for residue 39 atoms:  CG N HD2 HD3
 &rst iat=607,603,605,606, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=603,615,614,610, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=619,624,622,623, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=617,626,620,621, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=630,635,633,634, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=632,638,636,637, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=628,641,631,632, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=645,650,648,649, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=643,662,646,647, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=674,668,672,673, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=671,665,669,670, &end
#
#  chirality for residue 43 atoms:  CG N HD2 HD3
 &rst iat=668,664,666,667, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=664,676,675,671, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=678,683,681,682, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=685,693,688,689, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=695,700,698,699, &end
#
#  chirality for residue 47 atoms:  CA OG HB2 HB3
 &rst iat=704,709,707,708, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=702,711,705,706, &end
#
#  chirality for residue 48 atoms:  CA OG HB2 HB3
 &rst iat=715,720,718,719, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=713,722,716,717, &end
#
#  chirality for residue 49 atoms:  CA OG HB2 HB3
 &rst iat=726,731,729,730, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=724,733,727,728, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=737,741,745,740, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=735,749,738,739, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=753,758,756,757, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=751,769,754,755, &end
#
#  chirality for residue 52 atoms:  CA OG HB2 HB3
 &rst iat=773,778,776,777, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=771,780,774,775, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=784,788,792,787, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=782,796,785,786, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=800,805,803,804, &end
#
#  chirality for residue 54 atoms:  CB CD1 CD2 HG
 &rst iat=802,807,811,806, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=798,815,801,802, &end
#
#  chirality for residue 55 atoms:  CA OG HB2 HB3
 &rst iat=819,824,822,823, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=817,826,820,821, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=830,835,833,834, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=828,840,831,832, &end
#
#  chirality for residue 57 atoms:  CA OG HB2 HB3
 &rst iat=844,849,847,848, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=842,851,845,846, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=853,861,856,857, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=865,870,868,869, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=867,873,871,872, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=863,876,866,867, &end
#
#  chirality for residue 60 atoms:  CA CG1 CG2 HB
 &rst iat=880,884,888,883, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=878,892,881,882, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=896,901,899,900, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=898,904,902,903, &end
#
#  chirality for residue 61 atoms:  CD NZ HE2 HE3
 &rst iat=904,910,908,909, &end
#
#  chirality for residue 61 atoms:  CG CE HD2 HD3
 &rst iat=901,907,905,906, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=894,914,897,898, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=918,923,921,922, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=920,926,924,925, &end
#
#  chirality for residue 62 atoms:  CG NE HD2 HD3
 &rst iat=923,929,927,928, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=916,938,919,920, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=942,947,945,946, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=944,950,948,949, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=940,953,943,944, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=957,962,960,961, &end
#
#  chirality for residue 64 atoms:  CB CD HG2 HG3
 &rst iat=959,965,963,964, &end
#
#  chirality for residue 64 atoms:  CG NE HD2 HD3
 &rst iat=962,968,966,967, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=955,977,958,959, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=981,986,984,985, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=983,988,992,987, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=979,996,982,983, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1000,1005,1003,1004, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1002,1008,1006,1007, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=998,1011,1001,1002, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1015,1020,1018,1019, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1013,1023,1016,1017, &end
#
#  chirality for residue 68 atoms:  CA CG1 CG2 HB
 &rst iat=1027,1031,1035,1030, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1025,1039,1028,1029, &end
#
#  chirality for residue 69 atoms:  CA CG1 CG2 HB
 &rst iat=1043,1047,1051,1046, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1041,1055,1044,1045, &end
#
#  chirality for residue 70 atoms:  N C HA2 HA3
 &rst iat=1057,1062,1060,1061, &end
#
#  chirality for residue 71 atoms:  N C HA2 HA3
 &rst iat=1064,1069,1067,1068, &end
#
#  chirality for residue 72 atoms:  CA SG HB2 HB3
 &rst iat=1073,1078,1076,1077, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1071,1080,1074,1075, &end
#
#  chirality for residue 73 atoms:  CA SG HB2 HB3
 &rst iat=1084,1089,1087,1088, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1082,1091,1085,1086, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1095,1100,1098,1099, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1093,1112,1096,1097, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1116,1121,1119,1120, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1118,1124,1122,1123, &end
#
#  chirality for residue 75 atoms:  CG NE HD2 HD3
 &rst iat=1121,1127,1125,1126, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1114,1136,1117,1118, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1140,1144,1148,1143, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1138,1152,1141,1142, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1156,1161,1159,1160, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1154,1166,1157,1158, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1168,1180,1171,1172, &end
#
#  chirality for residue 79 atoms:  CA OG HB2 HB3
 &rst iat=1184,1189,1187,1188, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1182,1191,1185,1186, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1195,1200,1198,1199, &end
#
#  chirality for residue 80 atoms:  CB CD1 CD2 HG
 &rst iat=1197,1202,1206,1201, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1193,1210,1196,1197, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1214,1219,1217,1218, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1212,1222,1215,1216, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1224,1239,1227,1228, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1243,1248,1246,1247, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1245,1251,1249,1250, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1241,1254,1244,1245, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1258,1263,1261,1262, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1256,1275,1259,1260, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1279,1284,1282,1283, &end
#
#  chirality for residue 85 atoms:  CB CD HG2 HG3
 &rst iat=1281,1287,1285,1286, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1277,1292,1280,1281, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1304,1298,1302,1303, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1301,1295,1299,1300, &end
#
#  chirality for residue 86 atoms:  CG N HD2 HD3
 &rst iat=1298,1294,1296,1297, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1294,1306,1305,1301, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1310,1315,1313,1314, &end
#
#  chirality for residue 87 atoms:  CB CD HG2 HG3
 &rst iat=1312,1318,1316,1317, &end
#
#  chirality for residue 87 atoms:  CG NE HD2 HD3
 &rst iat=1315,1321,1319,1320, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1308,1330,1311,1312, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1342,1336,1340,1341, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1339,1333,1337,1338, &end
#
#  chirality for residue 88 atoms:  CG N HD2 HD3
 &rst iat=1336,1332,1334,1335, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1332,1344,1343,1339, &end
#
#  chirality for residue 89 atoms:  CA CG1 CG2 HB
 &rst iat=1348,1352,1356,1351, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1346,1360,1349,1350, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1364,1369,1367,1368, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1366,1372,1370,1371, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1362,1375,1365,1366, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1379,1383,1387,1382, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1377,1391,1380,1381, &end
#
#  chirality for residue 92 atoms:  CA CG2 CG1 HB
 &rst iat=1395,1399,1403,1398, &end
#
#  chirality for residue 92 atoms:  CB CD1 HG12 HG13
 &rst iat=1397,1406,1404,1405, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1393,1410,1396,1397, &end
#
#  chirality for residue 93 atoms:  CA CG2 CG1 HB
 &rst iat=1414,1418,1422,1417, &end
#
#  chirality for residue 93 atoms:  CB CD1 HG12 HG13
 &rst iat=1416,1425,1423,1424, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1412,1429,1415,1416, &end
#
#  chirality for residue 94 atoms:  CA OG HB2 HB3
 &rst iat=1433,1438,1436,1437, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1431,1440,1434,1435, &end
#
#  chirality for residue 95 atoms:  CA OG HB2 HB3
 &rst iat=1444,1449,1447,1448, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1442,1451,1445,1446, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1453,1461,1456,1457, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1465,1470,1468,1469, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1467,1473,1471,1472, &end
#
#  chirality for residue 97 atoms:  CD NZ HE2 HE3
 &rst iat=1473,1479,1477,1478, &end
#
#  chirality for residue 97 atoms:  CG CE HD2 HD3
 &rst iat=1470,1476,1474,1475, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1463,1483,1466,1467, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1487,1492,1490,1491, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1489,1495,1493,1494, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1485,1498,1488,1489, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1502,1507,1505,1506, &end
#
#  chirality for residue 99 atoms:  CB SD HG2 HG3
 &rst iat=1504,1510,1508,1509, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1500,1515,1503,1504, &end
#
#  chirality for residue 100 atoms:  CA CG1 CG2 HB
 &rst iat=1519,1523,1527,1522, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1517,1531,1520,1521, &end
#
#  chirality for residue 101 atoms:  N C HA2 HA3
 &rst iat=1533,1538,1536,1537, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1542,1547,1545,1546, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1544,1550,1548,1549, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1540,1555,1543,1544, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1559,1564,1562,1563, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1561,1567,1565,1566, &end
#
#  chirality for residue 103 atoms:  CD NZ HE2 HE3
 &rst iat=1567,1573,1571,1572, &end
#
#  chirality for residue 103 atoms:  CG CE HD2 HD3
 &rst iat=1564,1570,1568,1569, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1557,1577,1560,1561, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1581,1586,1584,1585, &end
#
#  chirality for residue 104 atoms:  CB SD HG2 HG3
 &rst iat=1583,1589,1587,1588, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1579,1594,1582,1583, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1598,1603,1601,1602, &end
#
#  chirality for residue 105 atoms:  CB CD HG2 HG3
 &rst iat=1600,1606,1604,1605, &end
#
#  chirality for residue 105 atoms:  CD NZ HE2 HE3
 &rst iat=1606,1612,1610,1611, &end
#
#  chirality for residue 105 atoms:  CG CE HD2 HD3
 &rst iat=1603,1609,1607,1608, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1596,1616,1599,1600, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1620,1625,1623,1624, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1618,1637,1621,1622, &end
#
#  chirality for residue 107 atoms:  CA OG HB2 HB3
 &rst iat=1641,1646,1644,1645, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1639,1648,1642,1643, &end
#
#  chirality for residue 108 atoms:  CA CG2 CG1 HB
 &rst iat=1652,1656,1660,1655, &end
#
#  chirality for residue 108 atoms:  CB CD1 HG12 HG13
 &rst iat=1654,1663,1661,1662, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1650,1667,1653,1654, &end
#
#  chirality for residue 109 atoms:  CA CG1 CG2 HB
 &rst iat=1671,1675,1679,1674, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1669,1683,1672,1673, &end
#
#  chirality for residue 110 atoms:  CA OG HB2 HB3
 &rst iat=1687,1692,1690,1691, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1685,1694,1688,1689, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1698,1703,1701,1702, &end
#
#  chirality for residue 111 atoms:  CB CD HG2 HG3
 &rst iat=1700,1706,1704,1705, &end
#
#  chirality for residue 111 atoms:  CG NE HD2 HD3
 &rst iat=1703,1709,1707,1708, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1696,1718,1699,1700, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1722,1727,1725,1726, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1720,1732,1723,1724, &end
#
#  chirality for residue 113 atoms:  CA SG HB2 HB3
 &rst iat=1736,1741,1739,1740, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1734,1743,1737,1738, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1747,1752,1750,1751, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1749,1755,1753,1754, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1745,1758,1748,1749, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1762,1767,1765,1766, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1760,1775,1763,1764, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1779,1784,1782,1783, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1777,1795,1780,1781, &end
#
#  chirality for residue 117 atoms:  CA CG1 CG2 HB
 &rst iat=1799,1803,1807,1802, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1797,1811,1800,1801, &end
#
#  chirality for residue 118 atoms:  CA CG2 OG1 HB
 &rst iat=1815,1819,1823,1818, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1813,1825,1816,1817, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1829,1834,1832,1833, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1831,1837,1835,1836, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1827,1842,1830,1831, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1846,1851,1849,1850, &end
#
#  chirality for residue 120 atoms:  CB CD1 CD2 HG
 &rst iat=1848,1853,1857,1852, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1844,1861,1847,1848, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1865,1870,1868,1869, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1867,1873,1871,1872, &end
#
#  chirality for residue 121 atoms:  CG NE HD2 HD3
 &rst iat=1870,1876,1874,1875, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1863,1885,1866,1867, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1889,1894,1892,1893, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1887,1906,1890,1891, &end
#
#  chirality for residue 123 atoms:  N C HA2 HA3
 &rst iat=1908,1913,1911,1912, &end
#
#  chirality for residue 124 atoms:  CA CG HB2 HB3
 &rst iat=1917,1922,1920,1921, &end
#
#  chirality for residue 124 atoms:  CB CD HG2 HG3
 &rst iat=1919,1925,1923,1924, &end
#
#  chirality for residue 124 atoms:  CD NZ HE2 HE3
 &rst iat=1925,1931,1929,1930, &end
#
#  chirality for residue 124 atoms:  CG CE HD2 HD3
 &rst iat=1922,1928,1926,1927, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1915,1935,1918,1919, &end
#
#  chirality for residue 125 atoms:  CA OG HB2 HB3
 &rst iat=1939,1944,1942,1943, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1937,1946,1940,1941, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=51,41,39,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=57,55,53,51, &end
#
#  trans-omega constraint for residue 6
 &rst iat=74,72,70,57, &end
#
#  trans-omega constraint for residue 7
 &rst iat=91,89,87,74, &end
#
#  trans-omega constraint for residue 8
 &rst iat=114,104,102,91, &end
#
#  trans-omega constraint for residue 9
 &rst iat=120,118,116,114, &end
#
#  trans-omega constraint for residue 10
 &rst iat=150,140,138,120, &end
#
#  trans-omega constraint for residue 11
 &rst iat=156,154,152,150, &end
#
#  trans-omega constraint for residue 12
 &rst iat=163,161,159,156, &end
#
#  trans-omega constraint for residue 13
 &rst iat=175,173,171,163, &end
#
#  trans-omega constraint for residue 14
 &rst iat=194,192,190,175, &end
#
#  trans-omega constraint for residue 15
 &rst iat=213,211,209,194, &end
#
#  trans-omega constraint for residue 16
 &rst iat=228,226,224,213, &end
#
#  trans-omega constraint for residue 17
 &rst iat=247,245,243,228, &end
#
#  trans-omega constraint for residue 18
 &rst iat=267,265,263,247, &end
#
#  trans-omega constraint for residue 19
 &rst iat=291,289,287,267, &end
#
#  trans-omega constraint for residue 20
 &rst iat=310,308,306,291, &end
#
#  trans-omega constraint for residue 21
 &rst iat=317,315,313,310, &end
#
#  trans-omega constraint for residue 22
 &rst iat=338,336,334,317, &end
#
#  trans-omega constraint for residue 23
 &rst iat=353,351,349,338, &end
#
#  trans-omega constraint for residue 24
 &rst iat=370,368,366,353, &end
#
#  trans-omega constraint for residue 25
 &rst iat=394,392,390,370, &end
#
#  trans-omega constraint for residue 26
 &rst iat=404,402,400,394, &end
#
#  trans-omega constraint for residue 27
 &rst iat=423,421,419,404, &end
#
#  trans-omega constraint for residue 28
 &rst iat=444,442,440,423, &end
#
#  trans-omega constraint for residue 29
 &rst iat=463,461,459,444, &end
#
#  trans-omega constraint for residue 30
 &rst iat=470,468,466,463, &end
#
#  trans-omega constraint for residue 31
 &rst iat=482,480,478,470, &end
#
#  trans-omega constraint for residue 32
 &rst iat=489,487,485,482, &end
#
#  trans-omega constraint for residue 33
 &rst iat=510,508,506,489, &end
#
#  trans-omega constraint for residue 34
 &rst iat=526,524,522,510, &end
#
#  trans-omega constraint for residue 35
 &rst iat=545,543,541,526, &end
#
#  trans-omega constraint for residue 36
 &rst iat=562,560,558,545, &end
#
#  trans-omega constraint for residue 37
 &rst iat=581,579,577,562, &end
#
#  trans-omega constraint for residue 38
 &rst iat=599,589,587,581, &end
#
#  trans-omega constraint for residue 39
 &rst iat=613,603,601,599, &end
#
#  trans-omega constraint for residue 40
 &rst iat=619,617,615,613, &end
#
#  trans-omega constraint for residue 41
 &rst iat=630,628,626,619, &end
#
#  trans-omega constraint for residue 42
 &rst iat=645,643,641,630, &end
#
#  trans-omega constraint for residue 43
 &rst iat=674,664,662,645, &end
#
#  trans-omega constraint for residue 44
 &rst iat=680,678,676,674, &end
#
#  trans-omega constraint for residue 45
 &rst iat=687,685,683,680, &end
#
#  trans-omega constraint for residue 46
 &rst iat=697,695,693,687, &end
#
#  trans-omega constraint for residue 47
 &rst iat=704,702,700,697, &end
#
#  trans-omega constraint for residue 48
 &rst iat=715,713,711,704, &end
#
#  trans-omega constraint for residue 49
 &rst iat=726,724,722,715, &end
#
#  trans-omega constraint for residue 50
 &rst iat=737,735,733,726, &end
#
#  trans-omega constraint for residue 51
 &rst iat=753,751,749,737, &end
#
#  trans-omega constraint for residue 52
 &rst iat=773,771,769,753, &end
#
#  trans-omega constraint for residue 53
 &rst iat=784,782,780,773, &end
#
#  trans-omega constraint for residue 54
 &rst iat=800,798,796,784, &end
#
#  trans-omega constraint for residue 55
 &rst iat=819,817,815,800, &end
#
#  trans-omega constraint for residue 56
 &rst iat=830,828,826,819, &end
#
#  trans-omega constraint for residue 57
 &rst iat=844,842,840,830, &end
#
#  trans-omega constraint for residue 58
 &rst iat=855,853,851,844, &end
#
#  trans-omega constraint for residue 59
 &rst iat=865,863,861,855, &end
#
#  trans-omega constraint for residue 60
 &rst iat=880,878,876,865, &end
#
#  trans-omega constraint for residue 61
 &rst iat=896,894,892,880, &end
#
#  trans-omega constraint for residue 62
 &rst iat=918,916,914,896, &end
#
#  trans-omega constraint for residue 63
 &rst iat=942,940,938,918, &end
#
#  trans-omega constraint for residue 64
 &rst iat=957,955,953,942, &end
#
#  trans-omega constraint for residue 65
 &rst iat=981,979,977,957, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1000,998,996,981, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1015,1013,1011,1000, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1027,1025,1023,1015, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1043,1041,1039,1027, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1059,1057,1055,1043, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1066,1064,1062,1059, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1073,1071,1069,1066, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1084,1082,1080,1073, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1095,1093,1091,1084, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1116,1114,1112,1095, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1140,1138,1136,1116, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1156,1154,1152,1140, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1170,1168,1166,1156, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1184,1182,1180,1170, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1195,1193,1191,1184, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1214,1212,1210,1195, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1226,1224,1222,1214, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1243,1241,1239,1226, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1258,1256,1254,1243, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1279,1277,1275,1258, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1304,1294,1292,1279, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1310,1308,1306,1304, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1342,1332,1330,1310, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1348,1346,1344,1342, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1364,1362,1360,1348, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1379,1377,1375,1364, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1395,1393,1391,1379, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1414,1412,1410,1395, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1433,1431,1429,1414, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1444,1442,1440,1433, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1455,1453,1451,1444, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1465,1463,1461,1455, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1487,1485,1483,1465, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1502,1500,1498,1487, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1519,1517,1515,1502, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1535,1533,1531,1519, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1542,1540,1538,1535, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1559,1557,1555,1542, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1581,1579,1577,1559, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1598,1596,1594,1581, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1620,1618,1616,1598, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1641,1639,1637,1620, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1652,1650,1648,1641, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1671,1669,1667,1652, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1687,1685,1683,1671, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1698,1696,1694,1687, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1722,1720,1718,1698, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1736,1734,1732,1722, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1747,1745,1743,1736, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1762,1760,1758,1747, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1779,1777,1775,1762, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1799,1797,1795,1779, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1815,1813,1811,1799, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1829,1827,1825,1815, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1846,1844,1842,1829, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1865,1863,1861,1846, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1889,1887,1885,1865, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1910,1908,1906,1889, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1917,1915,1913,1910, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1939,1937,1935,1917, &end
#
# 12 ASP O 27 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 422, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 12 ASP O 27 TYR N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 421, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 13 LEU O 77 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1155, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 13 LEU O 77 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 191,1154, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 14 ILE O 25 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 393, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 14 ILE O 25 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 392, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  118 THR  HA          118 THR  HB          2.80    (#      1:20  Unique         2.47, 2.65 A)
 &rst
  ixpk= 1, nxpk= 20, iat=1816,1818, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#  118 THR  MG2         118 THR  HB          2.80    (#      2:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1820,1821,1822,
 &end
#
#   89 VAL  HN           89 VAL  HA          3.50    (#      5:20  Unique         2.72, 2.77 A)
 &rst
  ixpk= 5, nxpk= 20, iat=1347,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HN           89 VAL  HA          4.50    (#      6:20  Unique         2.93, 3.14 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1394,1349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 VAL  HB           89 VAL  HA          3.50    (#      7:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 7, nxpk= 20, iat=1351,1349, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HB           89 VAL  HA          2.80    (#      8:20  Unique         2.63, 2.80 A)
 &rst
  ixpk= 8, nxpk= 20, iat=1398,1349, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 ILE  HG1+         89 VAL  HA          4.50    (#      9:20  Unique         2.42, 3.38 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#   89 VAL  MGX          89 VAL  HA          2.80    (#     10:20  Unique         2.35, 3.33 A)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:11      89 VAL  HA          2.80    (#     11:20  Single Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1407,1408,1409,1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:12      89 VAL  HA          5.50    (#     12:20  Single Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 &end
#
#  118 THR  HB          118 THR  HA          2.80    (#     13:20  Unique         2.47, 2.65 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1818,1816, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 THR  MG2         118 THR  HA          2.80    (#     14:20  Preassigned    2.38, 3.11 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1820,1821,1822,
 &end
#
#   92 ILE  HN           92 ILE  HA          3.50    (#     15:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 15, nxpk= 20, iat=1394,1396, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  QG2          92 ILE  HA          2.80    (#     16:20  Unique         2.49, 3.07 A)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1400,1401,1402,
 &end
#
#  102 GLN  HN          100 VAL  HA          4.50    (#     17:20  Unique         3.32, 3.44 A)
 &rst
  ixpk= 17, nxpk= 20, iat=1541,1520, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HN          100 VAL  HA          3.50    (#     18:20  Unique         2.75, 2.79 A)
 &rst
  ixpk= 18, nxpk= 20, iat=1518,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HB          100 VAL  HA          2.80    (#     19:20  Unique         2.25, 2.38 A)
 &rst
  ixpk= 19, nxpk= 20, iat= 883,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  MGX         100 VAL  HA          2.80    (#     20:20  Unique         2.12, 3.85 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  101 GLY  HN          100 VAL  HA          2.80    (#     21:20  Unique         2.06, 2.08 A)
 &rst
  ixpk= 21, nxpk= 20, iat=1534,1520, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 VAL  HB          100 VAL  HA          3.50    (#     22:20  Unique         2.57, 3.01 A)
 &rst
  ixpk= 22, nxpk= 20, iat=1522,1520, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  MGX         100 VAL  HA          2.80    (#     23:20  Unique         2.33, 3.15 A)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  MGY         100 VAL  HA          2.80    (#     24:20  Unique         2.33, 3.15 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   69 VAL  HB           69 VAL  HA          2.80    (#     25:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1046,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 VAL  MGY          69 VAL  HA          3.50    (#     26:20  Unique         2.29, 3.49 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  MGX          69 VAL  HA          2.80    (#     27:20  Preassigned    2.29, 3.49 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:28      68 VAL  HA          2.80    (#     28:20  Single Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,1028, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   93 ILE  HB           93 ILE  HA          3.50    (#     29:20  Unique         3.01, 3.03 A)
 &rst
  ixpk= 29, nxpk= 20, iat=1417,1415, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 ALA  MB           93 ILE  HA          2.80    (#     30:20  Unique         2.50, 3.26 A)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1458,1459,1460,
 &end
#
#   93 ILE  QG2          93 ILE  HA          2.80    (#     31:20  Unique         2.81, 3.41 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1419,1420,1421,
 &end
#
#    0 AMB  20-2:32       0 AMB  20-1:32     2.80    (#     32:20  Double Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1426,1427,1428, 233, 234, 235, 449, 450, 451,
 igr2=1415,1044,
 &end
#
#   91 VAL  MGX          91 VAL  HA          2.80    (#     33:20  Unique         2.43, 3.15 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   91 VAL  MGY          91 VAL  HA          3.50    (#     34:20  Unique         2.43, 3.15 A)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1,1380, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   11 GLY  HN           10 PRO  HA          2.80    (#     36:20  Unique         2.13, 2.16 A)
 &rst
  ixpk= 36, nxpk= 20, iat= 155, 151, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   10 PRO  HB+          10 PRO  HA          2.80    (#     37:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 148, 149,
 &end
#
#  120 LEU  HB-         117 VAL  HA          3.50    (#     38:20  Unique         2.69, 3.89 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1849,1850,
 &end
#
#  117 VAL  HB          117 VAL  HA          2.80    (#     39:20  Unique         2.36, 2.40 A)
 &rst
  ixpk= 39, nxpk= 20, iat=1802,1800, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  117 VAL  MGY         117 VAL  HA          3.50    (#     40:20  Preassigned    2.35, 3.50 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  MGX         117 VAL  HA          2.80    (#     41:20  Unique         2.35, 3.50 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#   58 ALA  HA           57 SER  HB-         4.50    (#     42:20  Unique         4.65, 5.08 A)
 &rst
  ixpk= 42, nxpk= 20, iat= 856,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:43       0 AMB  20-1:43     2.80    (#     43:20  Double Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 672, 673,  49,  50,
 igr2= 675,  52,
 &end
#
#    4 PRO  HB+           4 PRO  HA          2.80    (#     44:20  Unique         2.30, 2.55 A)
 &rst
  ixpk= 44, nxpk= 20, iat=  -1,  52, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  49,  50,
 &end
#
#   43 PRO  HG-          43 PRO  HA          3.50    (#     45:20  Preassigned    2.73, 3.87 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 669, 670,
 &end
#
#   89 VAL  HN           88 PRO  HA          2.80    (#     46:20  Unique         2.11, 2.16 A)
 &rst
  ixpk= 46, nxpk= 20, iat=1347,1343, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   88 PRO  HB-          88 PRO  HA          2.80    (#     47:20  Unique         2.28, 2.52 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1340,1341,
 &end
#
#   88 PRO  HG-          88 PRO  HA          4.50    (#     48:20  Unique         2.88, 3.94 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1337,1338,
 &end
#
#   88 PRO  HB+          88 PRO  HA          2.80    (#     49:20  Unique         2.28, 2.52 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1340,1341,
 &end
#
#   39 PRO  HG+          39 PRO  HA          3.50    (#     50:20  Unique         2.72, 3.72 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 608, 609,
 &end
#
#   53 VAL  HB           53 VAL  HA          3.50    (#     51:20  Preassigned    2.34, 2.64 A)
 &rst
  ixpk= 51, nxpk= 20, iat= 787, 785, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  MGY          53 VAL  HA          2.80    (#     52:20  Unique         2.39, 3.42 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1, 785, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 789, 790, 791, 793, 794, 795,
 &end
#
#  120 LEU  MDX          95 SER  HB+         3.50    (#     53:20  Unique         2.39, 5.09 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1447,1448,
 &end
#
#   86 PRO  HB-          86 PRO  HA          2.80    (#     54:20  Unique         2.27, 2.61 A)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,1305, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1302,1303,
 &end
#
#   86 PRO  HB+          86 PRO  HA          2.80    (#     55:20  Unique         2.27, 2.61 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,1305, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1302,1303,
 &end
#
#    0 AMB  20-2:56       0 AMB  20-1:56     2.80    (#     56:20  Double Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 112, 113, 885, 886, 887, 889, 890, 891,
 igr2= 115, 881,
 &end
#
#   61 LYS  HN           60 VAL  HA          2.80    (#     57:20  Unique         2.13, 2.16 A)
 &rst
  ixpk= 57, nxpk= 20, iat= 895, 881, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 ALA  HN           60 VAL  HA          4.50    (#     58:20  Unique         3.25, 3.45 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 580, 881, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  MGY          60 VAL  HA          2.80    (#     59:20  Unique         2.48, 3.15 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   79 SER  HN           79 SER  HA          2.80    (#     60:20  Unique         2.79, 2.83 A)
 &rst
  ixpk= 60, nxpk= 20, iat=1183,1185, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   50 VAL  HB           50 VAL  HA          2.80    (#     61:20  Unique         2.39, 2.49 A)
 &rst
  ixpk= 61, nxpk= 20, iat= 740, 738, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 VAL  MGY          50 VAL  HA          3.50    (#     62:20  Unique         2.47, 5.13 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 789, 790, 791, 793, 794, 795,
 &end
#
#    0 AMB  20-2:63      50 VAL  HA          2.80    (#     63:20  Single Ambig)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 738, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
#   91 VAL  MGY          95 SER  HB+         4.50    (#     64:20  Unique         3.35, 6.76 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1447,1448,
 &end
#
#   95 SER  HN           95 SER  HB+         2.80    (#     65:20  Unique         2.25, 2.82 A)
 &rst
  ixpk= 65, nxpk= 20, iat=1443,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1447,1448,
 &end
#
#   95 SER  HN           95 SER  HB-         3.50    (#     66:20  Unique         2.25, 2.82 A)
 &rst
  ixpk= 66, nxpk= 20, iat=1443,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1447,1448,
 &end
#
#   95 SER  HA           95 SER  HB-         2.80    (#     67:20  Unique         2.31, 2.77 A)
 &rst
  ixpk= 67, nxpk= 20, iat=1445,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1447,1448,
 &end
#
#  120 LEU  MDX          95 SER  HB-         2.80    (#     68:20  Unique         2.39, 5.09 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1447,1448,
 &end
#
#   87 ARG  HN           86 PRO  HA          2.80    (#     69:20  Unique         2.13, 2.21 A)
 &rst
  ixpk= 69, nxpk= 20, iat=1309,1305, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    9 LYS  HN            8 PRO  HA          2.80    (#     70:20  Unique         2.12, 2.21 A)
 &rst
  ixpk= 70, nxpk= 20, iat= 119, 115, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    8 PRO  HB-           8 PRO  HA          2.80    (#     71:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 112, 113,
 &end
#
#   76 VAL  MGX           8 PRO  HA          2.80    (#     72:20  Unique         2.23, 3.82 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HG+           8 PRO  HA          4.50    (#     73:20  Unique         2.96, 3.94 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 109, 110,
 &end
#
#   97 LYS  HN           94 SER  HA          5.50    (#     74:20  Unique         3.26, 3.38 A)
 &rst
  ixpk= 74, nxpk= 20, iat=1464,1434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   94 SER  HN           94 SER  HA          2.80    (#     75:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 75, nxpk= 20, iat=1432,1434, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 SER  HN           95 SER  HB+         4.50    (#     76:20  Unique         4.69, 5.37 A)
 &rst
  ixpk= 76, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1447,1448,
 &end
#
#   95 SER  HN           95 SER  HA          3.50    (#     77:20  Unique         2.83, 2.86 A)
 &rst
  ixpk= 77, nxpk= 20, iat=1443,1445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:78      95 SER  HA          2.80    (#     78:20  Single Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1490,1491,1490,1491,
 &end
#
#   95 SER  HB-          95 SER  HA          2.80    (#     79:20  Unique         2.31, 2.77 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1447,1448,
 &end
#
#    0 AMB  20-2:80      94 SER  HA          3.50    (#     80:20  Single Ambig)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,1434, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1468,1469,1468,1469,
 &end
#
#   97 LYS  HD+          94 SER  HA          3.50    (#     81:20  Unique         2.56, 3.30 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,1434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1474,1475,
 &end
#
#  116 PHE  HD          116 PHE  HA          2.80    (#     82:20  Unique         2.37, 3.59 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1786,1794,
 &end
#
#   17 PHE  HN           16 ILE  HA          2.80    (#     83:20  Unique         2.07, 2.13 A)
 &rst
  ixpk= 83, nxpk= 20, iat= 246, 229, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 TYR  HA           16 ILE  HA          3.50    (#     84:20  Unique         2.26, 2.38 A)
 &rst
  ixpk= 84, nxpk= 20, iat=1096, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 LYS  HN           97 LYS  HA          3.50    (#     85:20  Unique         2.85, 2.85 A)
 &rst
  ixpk= 85, nxpk= 20, iat=1464,1466, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 LYS  HG+          97 LYS  HA          2.80    (#     86:20  Unique         2.54, 2.71 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1471,1472,
 &end
#
#   97 LYS  HG-          97 LYS  HA          2.80    (#     87:20  Unique         2.54, 2.71 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1471,1472,
 &end
#
#  100 VAL  MGX          97 LYS  HA          2.80    (#     88:20  Unique         2.62, 4.41 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   34 ILE  QD1          97 LYS  HA          2.80    (#     89:20  Unique         2.46, 3.14 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 538, 539, 540,
 &end
#
#   90 GLU  HG+          90 GLU  HA          3.50    (#     90:20  Unique         3.74, 3.86 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1370,1371,
 &end
#
#   90 GLU  HB-          90 GLU  HA          2.80    (#     91:20  Unique         2.34, 2.42 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1367,1368,
 &end
#
#   93 ILE  HB           90 GLU  HA          2.80    (#     92:20  Unique         2.58, 2.68 A)
 &rst
  ixpk= 92, nxpk= 20, iat=1417,1365, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 ILE  QG2          90 GLU  HA          4.50    (#     93:20  Preassigned    3.90, 4.60 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1419,1420,1421,
 &end
#
#  125 SER  HN          125 SER  HA          3.50    (#     94:20  Unique         2.70, 2.77 A)
 &rst
  ixpk= 94, nxpk= 20, iat=1938,1940, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 SER  HB+         125 SER  HA          2.80    (#     95:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,1940, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1942,1943,
 &end
#
#   90 GLU  HN           90 GLU  HA          2.80    (#     96:20  Unique         2.82, 2.82 A)
 &rst
  ixpk= 96, nxpk= 20, iat=1363,1365, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  HN           90 GLU  HA          4.50    (#     97:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 97, nxpk= 20, iat=1378,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HG+          66 GLU  HA          2.80    (#     98:20  Unique         2.64, 3.08 A)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1006,1007,
 &end
#
#   66 GLU  HB-          66 GLU  HA          2.80    (#     99:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1003,1004,
 &end
#
#    0 AMB  20-2:100     66 GLU  HA          4.50    (#    100:20  Single Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1058,1026,
 &end
#
#   66 GLU  HN           66 GLU  HA          2.80    (#    101:20  Unique         2.75, 2.79 A)
 &rst
  ixpk= 101, nxpk= 20, iat= 999,1001, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASP  HN           66 GLU  HA          4.50    (#    102:20  Unique         3.54, 3.59 A)
 &rst
  ixpk= 102, nxpk= 20, iat=1014,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  MGY          66 GLU  HA          3.50    (#    103:20  Preassigned    2.17, 4.28 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  MGX          66 GLU  HA          4.50    (#    104:20  Unique         2.17, 4.28 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#  121 ARG  HB+         121 ARG  HA          3.50    (#    105:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#    0 AMB  20-2:106    121 ARG  HA          2.80    (#    106:20  Single Ambig)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1404,1405,1868,1869,
 &end
#
#   92 ILE  QD1         121 ARG  HA          3.50    (#    107:20  Unique         2.95, 4.15 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1407,1408,1409,
 &end
#
#   92 ILE  QG2         121 ARG  HA          3.50    (#    108:20  Unique         2.66, 3.81 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1400,1401,1402,
 &end
#
#  119 GLN  HG+         119 GLN  HA          3.50    (#    110:20  Unique         2.39, 3.01 A)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1835,1836,
 &end
#
#  119 GLN  HB-         119 GLN  HA          2.80    (#    111:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#  119 GLN  HB+         119 GLN  HA          2.80    (#    112:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#    0 AMB  20-2:113     65 LEU  HA          2.80    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 984, 985, 987,
 &end
#
#   33 VAL  MGX          65 LEU  HA          3.50    (#    114:20  Unique         2.42, 3.46 A)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   65 LEU  MDY          65 LEU  HA          4.50    (#    115:20  Unique         2.21, 3.82 A)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:116     65 LEU  HA          2.80    (#    116:20  Single Ambig)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 989, 990, 991, 993, 994, 995, 515, 516, 517, 519,
       520, 521,
 &end
#
#    0 AMB  20-2:117    114 GLU  HA          2.80    (#    117:20  Single Ambig)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1804,1805,1806,1808,1809,1810,1750,1751,
 &end
#
#    0 AMB  20-2:118    114 GLU  HA          3.50    (#    118:20  Single Ambig)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1804,1805,1806,1808,1809,1810,1753,1754,
 &end
#
#    0 AMB  20-2:119    115 HIS  HA          2.80    (#    119:20  Single Ambig)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1765,1766,1765,1766,
 &end
#
#   98 GLU  HN           98 GLU  HA          2.80    (#    120:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 120, nxpk= 20, iat=1486,1488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 MET  HN           98 GLU  HA          3.50    (#    121:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 121, nxpk= 20, iat=1501,1488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 GLU  HG-          98 GLU  HA          3.50    (#    122:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1493,1494,
 &end
#
#   98 GLU  HG+          98 GLU  HA          2.80    (#    123:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1493,1494,
 &end
#
#    0 AMB  20-2:124     98 GLU  HA          2.80    (#    124:20  Single Ambig)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,1488, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1490,1491,1490,1491,
 &end
#
#  100 VAL  HN           98 GLU  HA          5.50    (#    125:20  Unique         4.20, 4.62 A)
 &rst
  ixpk= 125, nxpk= 20, iat=1518,1488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LEU  HB-         120 LEU  HA          3.50    (#    126:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1849,1850,
 &end
#
#  120 LEU  HG          120 LEU  HA          3.50    (#    127:20  Preassigned    3.08, 3.21 A)
 &rst
  ixpk= 127, nxpk= 20, iat=1852,1847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LEU  HB+         120 LEU  HA          2.80    (#    128:20  Unique         2.44, 2.77 A)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1849,1850,
 &end
#
#  120 LEU  MDX         120 LEU  HA          2.80    (#    129:20  Unique         2.21, 3.84 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  106 TYR  HN          105 LYS  HA          2.80    (#    130:20  Unique         2.18, 2.36 A)
 &rst
  ixpk= 130, nxpk= 20, iat=1619,1599, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:131      0 AMB  20-1:131    2.80    (#    131:20  Double Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1607,1608,1704,1705,
 igr2=1599,1699,
 &end
#
#  111 ARG  HB+         111 ARG  HA          3.50    (#    132:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1,1699, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1701,1702,
 &end
#
#  102 GLN  HG-         102 GLN  HA          3.50    (#    133:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1548,1549,
 &end
#
#  102 GLN  HG+         102 GLN  HA          2.80    (#    134:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#   83 GLU  HN           83 GLU  HA          3.50    (#    135:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 135, nxpk= 20, iat=1242,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:136     83 GLU  HA          2.80    (#    136:20  Single Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1249,1250,1249,1250,
 &end
#
#   83 GLU  HB+          83 GLU  HA          2.80    (#    137:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1246,1247,
 &end
#
#   65 LEU  HN           64 ARG  HA          2.80    (#    138:20  Unique         2.09, 2.14 A)
 &rst
  ixpk= 138, nxpk= 20, iat= 980, 958, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 TYR  HA           64 ARG  HA          2.80    (#    139:20  Unique         2.00, 2.17 A)
 &rst
  ixpk= 139, nxpk= 20, iat= 490, 958, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 ARG  HG-          64 ARG  HA          2.80    (#    140:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 963, 964,
 &end
#
#   64 ARG  HB-          64 ARG  HA          2.80    (#    141:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#    0 AMB  20-2:142     67 ASP  HA          4.50    (#    142:20  Single Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1058,1026,
 &end
#
#   67 ASP  HN           67 ASP  HA          2.80    (#    143:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 143, nxpk= 20, iat=1014,1016, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASP  HB+          67 ASP  HA          2.80    (#    144:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1018,1019,
 &end
#
#  102 GLN  HN          102 GLN  HA          2.80    (#    146:20  Unique         2.89, 2.90 A)
 &rst
  ixpk= 146, nxpk= 20, iat=1541,1543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLN  HB-         102 GLN  HA          2.80    (#    147:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1545,1546,
 &end
#
#    5 HIS  HB+           5 HIS  HA          2.80    (#    148:20  Unique         2.37, 2.67 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  58, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  60,  61,
 &end
#
#   41 GLU  HG+          41 GLU  HA          2.80    (#    149:20  Unique         2.37, 2.93 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1, 631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 636, 637,
 &end
#
#   41 GLU  HB+          41 GLU  HA          2.80    (#    150:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1, 631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 633, 634,
 &end
#
#   41 GLU  HB-          41 GLU  HA          3.50    (#    151:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1, 631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 633, 634,
 &end
#
#   20 GLY  HN           19 LEU  HA          2.80    (#    152:20  Unique         2.13, 2.24 A)
 &rst
  ixpk= 152, nxpk= 20, iat= 309, 292, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   19 LEU  HB-          19 LEU  HA          3.50    (#    153:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 294, 295,
 &end
#
#    0 AMB  20-2:154     19 LEU  HA          2.80    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 294, 295, 297,
 &end
#
#    0 AMB  20-2:155     19 LEU  HA          3.50    (#    155:20  Single Ambig)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1, 292, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 &end
#
#   88 PRO  HD-          87 ARG  HA          2.80    (#    156:20  Unique         2.10, 2.46 A)
 &rst
  ixpk= 156, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1334,1335,
 &end
#
#   99 MET  HG-          99 MET  HA          3.50    (#    157:20  Unique         2.70, 3.21 A)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1508,1509,
 &end
#
#   80 LEU  MDY          80 LEU  HA          2.80    (#    158:20  Unique         2.31, 3.86 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HG           80 LEU  HA          3.50    (#    159:20  Unique         3.30, 3.36 A)
 &rst
  ixpk= 159, nxpk= 20, iat=1201,1196, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 LEU  HB-          80 LEU  HA          3.50    (#    160:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1198,1199,
 &end
#
#   30 ASP  HB+          30 ASP  HA          2.80    (#    161:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 473, 474,
 &end
#
#    0 AMB  20-2:162      0 AMB  20-1:162    2.80    (#    162:20  Double Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 473, 474,1929,1930,
 igr2= 471,1311,
 &end
#
#   88 PRO  HD+          87 ARG  HA          2.80    (#    163:20  Unique         2.10, 2.46 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1334,1335,
 &end
#
#   54 LEU  MDX          54 LEU  HA          2.80    (#    164:20  Unique         2.20, 3.87 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 808, 809, 810, 812, 813, 814,
 &end
#
#   99 MET  HG+          99 MET  HA          2.80    (#    165:20  Unique         2.70, 3.21 A)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1508,1509,
 &end
#
#  102 GLN  HG-          99 MET  HA          3.50    (#    166:20  Unique         2.98, 3.83 A)
 &rst
  ixpk= 166, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1548,1549,
 &end
#
#   99 MET  HB-          99 MET  HA          2.80    (#    167:20  Unique         2.50, 2.77 A)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#    0 AMB  20-2:168     99 MET  HA          4.50    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1512,1513,1514,1490,1491,1490,1491,
 &end
#
#    0 AMB  20-2:169      0 AMB  20-1:169    2.80    (#    169:20  Double Ambig)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1=1920,1921, 803, 804, 806,
 igr2=1918, 801,
 &end
#
#  125 SER  HN          124 LYS  HA          3.50    (#    170:20  Unique         2.22, 2.40 A)
 &rst
  ixpk= 170, nxpk= 20, iat=1938,1918, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 LYS  HB+         124 LYS  HA          2.80    (#    171:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1920,1921,
 &end
#
#    0 AMB  20-2:172    124 LYS  HA          5.50    (#    172:20  Single Ambig)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1926,1927,1926,1927,
 &end
#
#    6 GLN  HB+           6 GLN  HA          2.80    (#    173:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  77,  78,
 &end
#
#    7 GLU  HN            6 GLN  HA          3.50    (#    174:20  Unique         2.20, 2.28 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  90,  75, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 GLN  HG+           6 GLN  HA          2.80    (#    175:20  Unique         2.52, 2.91 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  80,  81,
 &end
#
#    6 GLN  HB-           6 GLN  HA          2.80    (#    176:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 176, nxpk= 20, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  77,  78,
 &end
#
#   96 ALA  HN           96 ALA  HA          3.50    (#    177:20  Unique         2.82, 2.83 A)
 &rst
  ixpk= 177, nxpk= 20, iat=1454,1456, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 ALA  MB           96 ALA  HA          2.80    (#    178:20  Unique         2.41, 2.68 A)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1458,1459,1460,
 &end
#
#  120 LEU  MDX          96 ALA  HA          2.80    (#    179:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDY          96 ALA  HA          2.80    (#    180:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 180, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   16 ILE  HN           15 GLU  HA          2.80    (#    181:20  Unique         2.15, 2.20 A)
 &rst
  ixpk= 181, nxpk= 20, iat= 227, 214, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 TRP  HA           15 GLU  HA          4.50    (#    182:20  Unique         2.55, 2.74 A)
 &rst
  ixpk= 182, nxpk= 20, iat= 371, 214, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 PRO  HD-           7 GLU  HA          2.80    (#    183:20  Unique         2.08, 2.33 A)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 106, 107,
 &end
#
#    8 PRO  HD+           7 GLU  HA          2.80    (#    184:20  Unique         2.08, 2.33 A)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 106, 107,
 &end
#
#    7 GLU  HG-           7 GLU  HA          3.50    (#    185:20  Unique         2.29, 2.89 A)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  97,  98,
 &end
#
#    7 GLU  HB-           7 GLU  HA          2.80    (#    186:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  94,  95,
 &end
#
#    7 GLU  HB+           7 GLU  HA          2.80    (#    187:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  94,  95,
 &end
#
#   60 VAL  HA           36 LEU  HA          2.80    (#    188:20  Unique         2.10, 2.25 A)
 &rst
  ixpk= 188, nxpk= 20, iat= 881, 563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 ALA  HN           36 LEU  HA          2.80    (#    189:20  Unique         2.13, 2.20 A)
 &rst
  ixpk= 189, nxpk= 20, iat= 580, 563, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 LEU  MDX          36 LEU  HA          2.80    (#    190:20  Unique         2.15, 3.81 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   45 ALA  MB           45 ALA  HA          2.80    (#    191:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 191, nxpk= 20, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 690, 691, 692,
 &end
#
#   59 GLU  HN           58 ALA  HA          2.80    (#    192:20  Unique         2.24, 2.35 A)
 &rst
  ixpk= 192, nxpk= 20, iat= 864, 856, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 ALA  MB           58 ALA  HA          2.80    (#    193:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 858, 859, 860,
 &end
#
#   85 GLN  HA           86 PRO  HD+         2.80    (#    194:20  Unique         2.04, 2.53 A)
 &rst
  ixpk= 194, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1296,1297,
 &end
#
#    0 AMB  20-2:195      0 AMB  20-1:195    2.80    (#    195:20  Double Ambig)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1282,1283,1299,1300,
 igr2=1296,1297,1296,1297,
 &end
#
#   85 GLN  HA           86 PRO  HD-         2.80    (#    196:20  Unique         2.04, 2.53 A)
 &rst
  ixpk= 196, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1296,1297,
 &end
#
#    0 AMB  20-2:197     86 PRO  HD-         2.80    (#    197:20  Single Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1282,1283,1299,1300,
 igr2=1296,1297,
 &end
#
#   42 TYR  HA           43 PRO  HD+         3.50    (#    198:20  Unique         2.01, 2.63 A)
 &rst
  ixpk= 198, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 666, 667,
 &end
#
#    0 AMB  20-2:199      0 AMB  20-1:199    2.80    (#    199:20  Double Ambig)
 &rst
  ixpk= 199, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 669, 670, 633, 634,
 igr2= 666, 667, 666, 667,
 &end
#
#    0 AMB  20-2:202     43 PRO  HD-         4.50    (#    202:20  Single Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 648, 649, 833, 834,
 igr2= 666, 667,
 &end
#
#   42 TYR  HA           43 PRO  HD-         3.50    (#    203:20  Unique         2.01, 2.63 A)
 &rst
  ixpk= 203, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 666, 667,
 &end
#
#   42 TYR  HB+          43 PRO  HD-         4.50    (#    204:20  Unique         2.19, 3.94 A)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 648, 649,
 igr2= 666, 667,
 &end
#
#    0 AMB  20-2:205     43 PRO  HD-         2.80    (#    205:20  Single Ambig)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 669, 670, 633, 634,
 igr2= 666, 667,
 &end
#
#    9 LYS  HA           10 PRO  HD+         2.80    (#    206:20  Unique         2.12, 2.58 A)
 &rst
  ixpk= 206, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 142, 143,
 &end
#
#    9 LYS  HB+          10 PRO  HD+         2.80    (#    207:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 207, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 123, 124,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:208      0 AMB  20-1:208    2.80    (#    208:20  Double Ambig)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 123, 124, 129, 130,
 igr2= 142, 143, 142, 143,
 &end
#
#    9 LYS  HD-          10 PRO  HD-         3.50    (#    210:20  Unique         2.33, 3.31 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 129, 130,
 igr2= 142, 143,
 &end
#
#    7 GLU  HA            8 PRO  HD-         2.80    (#    211:20  Unique         2.08, 2.33 A)
 &rst
  ixpk= 211, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 106, 107,
 &end
#
#    8 PRO  HG+           8 PRO  HD-         3.50    (#    213:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#    7 GLU  HB-           8 PRO  HD+         3.50    (#    217:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  94,  95,
 igr2= 106, 107,
 &end
#
#    8 PRO  HG+           8 PRO  HD+         3.50    (#    218:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#    9 LYS  HD-          10 PRO  HD+         3.50    (#    220:20  Unique         2.33, 3.31 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 129, 130,
 igr2= 142, 143,
 &end
#
#   87 ARG  HA           88 PRO  HD+         2.80    (#    221:20  Unique         2.10, 2.46 A)
 &rst
  ixpk= 221, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1334,1335,
 &end
#
#    0 AMB  20-2:222      0 AMB  20-1:222    2.80    (#    222:20  Double Ambig)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 594, 595, 129, 130,
 igr2= 591, 592, 142, 143,
 &end
#
#   37 ALA  HA           38 PRO  HD-         2.80    (#    223:20  Unique         2.08, 2.38 A)
 &rst
  ixpk= 223, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 591, 592,
 &end
#
#    8 PRO  HG-           8 PRO  HD-         3.50    (#    225:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#   37 ALA  HA           38 PRO  HD+         2.80    (#    226:20  Unique         2.08, 2.38 A)
 &rst
  ixpk= 226, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 591, 592,
 &end
#
#   38 PRO  HG-          38 PRO  HD+         2.80    (#    227:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 594, 595,
 igr2= 591, 592,
 &end
#
#   37 ALA  MB           38 PRO  HD+         3.50    (#    229:20  Unique         2.52, 4.27 A)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 584, 585, 586,
 igr2= 591, 592,
 &end
#
#   91 VAL  MGX          88 PRO  HD-         3.50    (#    230:20  Unique         4.23, 5.79 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1334,1335,
 &end
#
#    7 GLU  HA            8 PRO  HD+         2.80    (#    231:20  Unique         2.08, 2.33 A)
 &rst
  ixpk= 231, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 106, 107,
 &end
#
#    8 PRO  HG-           8 PRO  HD+         2.80    (#    232:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#    7 GLU  HB+           8 PRO  HD+         3.50    (#    233:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  94,  95,
 igr2= 106, 107,
 &end
#
#   88 PRO  HG+          88 PRO  HD+         2.80    (#    235:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   87 ARG  HB+          88 PRO  HD+         3.50    (#    236:20  Preassigned    2.19, 3.69 A)
 &rst
  ixpk= 236, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1313,1314,
 igr2=1334,1335,
 &end
#
#   87 ARG  HA           88 PRO  HD-         2.80    (#    238:20  Unique         2.10, 2.46 A)
 &rst
  ixpk= 238, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1334,1335,
 &end
#
#   88 PRO  HG+          88 PRO  HD-         2.80    (#    240:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   88 PRO  HG-          88 PRO  HD-         2.80    (#    241:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   87 ARG  HB+          88 PRO  HD-         3.50    (#    242:20  Preassigned    2.19, 3.69 A)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1313,1314,
 igr2=1334,1335,
 &end
#
#   38 PRO  HD-          37 ALA  HA          2.80    (#    243:20  Unique         2.08, 2.38 A)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 591, 592,
 &end
#
#   38 PRO  HD+          37 ALA  HA          2.80    (#    244:20  Unique         2.08, 2.38 A)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 591, 592,
 &end
#
#   37 ALA  MB           37 ALA  HA          2.80    (#    245:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1, 582, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 584, 585, 586,
 &end
#
#   70 GLY  HN           70 GLY  HA-         2.80    (#    246:20  Unique         2.29, 2.56 A)
 &rst
  ixpk= 246, nxpk= 20, iat=1058,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1060,1061,
 &end
#
#   70 GLY  HN           70 GLY  HA+         2.80    (#    248:20  Unique         2.29, 2.56 A)
 &rst
  ixpk= 248, nxpk= 20, iat=1058,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1060,1061,
 &end
#
#  123 GLY  HN          123 GLY  HA-         2.80    (#    254:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 254, nxpk= 20, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1911,1912,
 &end
#
#   31 GLY  HN           31 GLY  HA-         2.80    (#    257:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 257, nxpk= 20, iat= 481,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 483, 484,
 &end
#
#  123 GLY  HN          123 GLY  HA+         2.80    (#    258:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 258, nxpk= 20, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1911,1912,
 &end
#
#   26 LEU  HN           26 LEU  HB-         3.50    (#    260:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 260, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#   26 LEU  MDX          26 LEU  HB-         3.50    (#    262:20  Unique         2.41, 3.55 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2= 407, 408,
 &end
#
#   26 LEU  HG           26 LEU  HB-         3.50    (#    263:20  Unique         2.34, 2.40 A)
 &rst
  ixpk= 263, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#   26 LEU  HN           26 LEU  HB+         4.50    (#    264:20  Unique         2.39, 2.63 A)
 &rst
  ixpk= 264, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 407, 408,
 &end
#
#   26 LEU  MDX          26 LEU  HB+         3.50    (#    266:20  Unique         2.41, 3.55 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2= 407, 408,
 &end
#
#   26 LEU  HG           26 LEU  HB+         3.50    (#    267:20  Unique         2.34, 2.40 A)
 &rst
  ixpk= 267, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 407, 408,
 &end
#
#   26 LEU  HA           26 LEU  HB+         4.50    (#    268:20  Unique         2.48, 2.83 A)
 &rst
  ixpk= 268, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 407, 408,
 &end
#
#    0 AMB  20-2:270      0 AMB  20-1:270    2.80    (#    270:20  Double Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 412, 413, 414, 416, 417, 418,1400,1401,1402,
 igr2= 157, 158, 157, 158,
 &end
#
#    0 AMB  20-2:272     11 GLY  HA-         2.80    (#    272:20  Single Ambig)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 412, 413, 414, 416, 417, 418,1400,1401,1402,
 igr2= 157, 158,
 &end
#
#  102 GLN  HN          101 GLY  HA-         3.50    (#    273:20  Unique         3.20, 3.36 A)
 &rst
  ixpk= 273, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1536,1537,
 &end
#
#  101 GLY  HN          101 GLY  HA-         2.80    (#    274:20  Unique         2.35, 2.67 A)
 &rst
  ixpk= 274, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1536,1537,
 &end
#
#  101 GLY  HN          101 GLY  HA+         2.80    (#    276:20  Unique         2.35, 2.67 A)
 &rst
  ixpk= 276, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1536,1537,
 &end
#
#   87 ARG  HB+          87 ARG  HD+         3.50    (#    278:20  Unique         2.43, 3.46 A)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1313,1314,
 igr2=1319,1320,
 &end
#
#   29 GLY  HN           29 GLY  HA+         3.50    (#    280:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 280, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:283     18 ARG  HD-         3.50    (#    283:20  Single Ambig)
 &rst
  ixpk= 283, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 273, 274, 270, 271,
 igr2= 276, 277,
 &end
#
#    0 AMB  20-2:284      0 AMB  20-1:284    4.50    (#    284:20  Double Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1122,1123, 273, 274,
 igr2=1125,1126, 276, 277,
 &end
#
#    0 AMB  20-2:285      0 AMB  20-1:285    2.80    (#    285:20  Double Ambig)
 &rst
  ixpk= 285, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 273, 274, 270, 271,
 igr2= 276, 277, 276, 277,
 &end
#
#  111 ARG  HG+         111 ARG  HD+         2.80    (#    286:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 286, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1704,1705,
 igr2=1707,1708,
 &end
#
#  111 ARG  HG+         111 ARG  HD-         2.80    (#    287:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 287, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1704,1705,
 igr2=1707,1708,
 &end
#
#   75 ARG  HB-          75 ARG  HD-         3.50    (#    288:20  Unique         2.40, 3.02 A)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1119,1120,
 igr2=1125,1126,
 &end
#
#   75 ARG  HG-          75 ARG  HD-         3.50    (#    289:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1122,1123,
 igr2=1125,1126,
 &end
#
#   75 ARG  HB-          75 ARG  HD+         3.50    (#    290:20  Unique         2.40, 3.02 A)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1119,1120,
 igr2=1125,1126,
 &end
#
#    0 AMB  20-2:292     62 ARG  HD-         2.80    (#    292:20  Single Ambig)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 924, 925, 921, 922,
 igr2= 927, 928,
 &end
#
#   62 ARG  HG+          62 ARG  HD-         2.80    (#    293:20  Unique         2.40, 2.67 A)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#   28 ILE  QD1          62 ARG  HD-         3.50    (#    294:20  Unique         2.31, 3.67 A)
 &rst
  ixpk= 294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 456, 457, 458,
 igr2= 927, 928,
 &end
#
#    0 AMB  20-2:295      0 AMB  20-1:295    2.80    (#    295:20  Double Ambig)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1871,1872, 924, 925, 921, 922,
 igr2=1874,1875, 927, 928, 927, 928,
 &end
#
#    0 AMB  20-2:296      0 AMB  20-1:296    2.80    (#    296:20  Double Ambig)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1= 924, 925, 183, 184, 185, 187, 188, 189,
 igr2= 927, 928,1874,1875,
 &end
#
#   34 ILE  QD1          62 ARG  HD+         4.50    (#    297:20  Unique         2.88, 4.86 A)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 538, 539, 540,
 igr2= 927, 928,
 &end
#
#    0 AMB  20-2:298      0 AMB  20-1:298    3.50    (#    298:20  Double Ambig)
 &rst
  ixpk= 298, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 456, 457, 458,1203,1204,1205,1207,1208,1209,
 igr2= 927, 928,1874,1875,
 &end
#
#   12 ASP  HN           12 ASP  HB+         4.50    (#    299:20  Unique         2.35, 2.99 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 166, 167,
 &end
#
#   76 VAL  MGY          12 ASP  HB+         2.80    (#    300:20  Unique         2.27, 4.14 A)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 166, 167,
 &end
#
#   64 ARG  HG-          64 ARG  HD+         3.50    (#    301:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 963, 964,
 igr2= 966, 967,
 &end
#
#   64 ARG  HG-          64 ARG  HD-         2.80    (#    302:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 963, 964,
 igr2= 966, 967,
 &end
#
#    9 LYS  HN           12 ASP  HB-         3.50    (#    304:20  Unique         2.42, 3.26 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 166, 167,
 &end
#
#   12 ASP  HN           12 ASP  HB-         3.50    (#    305:20  Unique         2.35, 2.99 A)
 &rst
  ixpk= 305, nxpk= 20, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 166, 167,
 &end
#
#   76 VAL  MGX          12 ASP  HB+         3.50    (#    307:20  Unique         2.27, 4.14 A)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:308      0 AMB  20-1:308    4.50    (#    308:20  Double Ambig)
 &rst
  ixpk= 308, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1003,1004,  94,  95,
 igr2= 966, 967, 132, 133,
 &end
#
#    0 AMB  20-2:310      0 AMB  20-1:310    2.80    (#    310:20  Double Ambig)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 123, 124, 129, 130,
 igr2= 132, 133, 132, 133,
 &end
#
#    0 AMB  20-2:311      0 AMB  20-1:311    2.80    (#    311:20  Double Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 126, 127, 126, 127,
 igr2= 132, 133, 132, 133,
 &end
#
#  105 LYS  HG+         105 LYS  HE+         2.80    (#    312:20  Unique         2.42, 3.00 A)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1604,1605,
 igr2=1610,1611,
 &end
#
#  105 LYS  HD-         105 LYS  HE+         2.80    (#    313:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 313, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1607,1608,
 igr2=1610,1611,
 &end
#
#  105 LYS  HG-         105 LYS  HE+         3.50    (#    314:20  Unique         2.42, 3.00 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1604,1605,
 igr2=1610,1611,
 &end
#
#    0 AMB  20-2:315      0 AMB  20-1:315    3.50    (#    315:20  Double Ambig)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1562,1563, 868, 869,
 igr2=1571,1572,1571,1572,
 &end
#
#  103 LYS  HD+         103 LYS  HE+         2.80    (#    316:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1568,1569,
 igr2=1571,1572,
 &end
#
#    0 AMB  20-2:317      0 AMB  20-1:317    3.50    (#    317:20  Double Ambig)
 &rst
  ixpk= 317, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1565,1566,1568,1569,
 igr2=1571,1572,1571,1572,
 &end
#
#  103 LYS  HG+         103 LYS  HE+         3.50    (#    318:20  Unique         2.12, 3.02 A)
 &rst
  ixpk= 318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1565,1566,
 igr2=1571,1572,
 &end
#
#   32 TYR  HD           32 TYR  HB-         2.80    (#    319:20  Unique         2.35, 3.08 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 496, 505,
 igr2= 492, 493,
 &end
#
#   61 LYS  HD+          61 LYS  HE+         2.80    (#    320:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 905, 906,
 igr2= 908, 909,
 &end
#
#   37 ALA  MB           61 LYS  HE+         2.80    (#    321:20  Unique         1.95, 3.98 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 584, 585, 586,
 igr2= 908, 909,
 &end
#
#   32 TYR  HA           32 TYR  HB+         3.50    (#    322:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#  120 LEU  HN          120 LEU  HB-         3.50    (#    323:20  Unique         2.49, 3.10 A)
 &rst
  ixpk= 323, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1849,1850,
 &end
#
#    0 AMB  20-2:324    120 LEU  HB-         2.80    (#    324:20  Single Ambig)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1847,1800,
 igr2=1849,1850,
 &end
#
#    0 AMB  20-2:325    120 LEU  HB-         3.50    (#    325:20  Single Ambig)
 &rst
  ixpk= 325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1852,1458,1459,1460,
 igr2=1849,1850,
 &end
#
#    0 AMB  20-2:327    120 LEU  HB-         3.50    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 igr2=1849,1850,
 &end
#
#  120 LEU  MDY         120 LEU  HB-         3.50    (#    328:20  Unique         2.40, 3.32 A)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1849,1850,
 &end
#
#   54 LEU  HA           54 LEU  HB-         2.80    (#    329:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 329, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 803, 804,
 &end
#
#   54 LEU  MDY          54 LEU  HB-         2.80    (#    330:20  Unique         2.39, 3.34 A)
 &rst
  ixpk= 330, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 803, 804,
 &end
#
#   54 LEU  HA           54 LEU  HB+         2.80    (#    331:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 803, 804,
 &end
#
#   54 LEU  MDY          54 LEU  HB+         2.80    (#    332:20  Unique         2.39, 3.34 A)
 &rst
  ixpk= 332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:333      0 AMB  20-1:333    3.50    (#    333:20  Double Ambig)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1852, 412, 413, 414, 416, 417, 418,1458,1459,1460,
      
 igr2=1849,1850,1849,1850,1849,1850,
 &end
#
#    0 AMB  20-2:334      0 AMB  20-1:334    3.50    (#    334:20  Double Ambig)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 igr2=1849,1850,1849,1850,
 &end
#
#    0 AMB  20-2:335      0 AMB  20-1:335    2.80    (#    335:20  Double Ambig)
 &rst
  ixpk= 335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1847,1800,1447,1448,
 igr2=1849,1850,1849,1850,1849,1850,
 &end
#
#    0 AMB  20-2:337      0 AMB  20-1:337    2.80    (#    337:20  Double Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 igr2=1849,1850,1849,1850,
 &end
#
#  120 LEU  MDY         120 LEU  HB+         2.80    (#    338:20  Unique         2.40, 3.32 A)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1849,1850,
 &end
#
#   32 TYR  HD           32 TYR  HB-         2.80    (#    339:20  Unique         2.35, 3.08 A)
 &rst
  ixpk= 339, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 496, 505,
 igr2= 492, 493,
 &end
#
#   97 LYS  HD+          97 LYS  HE-         2.80    (#    340:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1474,1475,
 igr2=1477,1478,
 &end
#
#   93 ILE  QG2          97 LYS  HE-         4.50    (#    341:20  Unique         2.28, 3.70 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1419,1420,1421,
 igr2=1477,1478,
 &end
#
#    0 AMB  20-2:343      0 AMB  20-1:343    3.50    (#    343:20  Double Ambig)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 453, 454, 456, 457, 458,
 igr2= 492, 493,1477,1478,
 &end
#
#   32 TYR  HN           32 TYR  HB-         3.50    (#    344:20  Unique         2.27, 2.97 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   32 TYR  HA           32 TYR  HB-         3.50    (#    345:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:346      0 AMB  20-1:346    2.80    (#    346:20  Double Ambig)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 868, 869,1471,1472,
 igr2= 908, 909,1477,1478,
 &end
#
#    0 AMB  20-2:347      0 AMB  20-1:347    4.50    (#    347:20  Double Ambig)
 &rst
  ixpk= 347, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 871, 872,1468,1469,1468,1469,
 igr2= 908, 909,1477,1478,
 &end
#
#    0 AMB  20-2:348      0 AMB  20-1:348    2.80    (#    348:20  Double Ambig)
 &rst
  ixpk= 348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 902, 903,1471,1472,
 igr2= 908, 909,1477,1478,
 &end
#
#    0 AMB  20-2:349      0 AMB  20-1:349    2.80    (#    349:20  Double Ambig)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1920,1921,1474,1475,
 igr2=1929,1930,1477,1478,
 &end
#
#   93 ILE  QG2          97 LYS  HE+         2.80    (#    350:20  Preassigned    2.28, 3.70 A)
 &rst
  ixpk= 350, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1419,1420,1421,
 igr2=1477,1478,
 &end
#
#    0 AMB  20-2:351      0 AMB  20-1:351    5.50    (#    351:20  Double Ambig)
 &rst
  ixpk= 351, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1= 449, 450, 451, 538, 539, 540,1426,1427,1428,
 igr2=1477,1478,1477,1478,1477,1478,
 &end
#
#   28 ILE  QD1          97 LYS  HE+         5.50    (#    352:20  Unique         2.67, 3.95 A)
 &rst
  ixpk= 352, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 456, 457, 458,
 igr2=1477,1478,
 &end
#
#   74 TYR  HD           74 TYR  HB-         2.80    (#    353:20  Unique         2.34, 3.08 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1102,1111,
 igr2=1098,1099,
 &end
#
#   74 TYR  HA           74 TYR  HB-         3.50    (#    354:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 354, nxpk= 20, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1098,1099,
 &end
#
#   14 ILE  QG2          74 TYR  HB-         3.50    (#    355:20  Unique         2.61, 3.74 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 199, 200, 201,
 igr2=1098,1099,
 &end
#
#    0 AMB  20-2:356    124 LYS  HE-         4.50    (#    356:20  Single Ambig)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1926,1927,1926,1927,
 igr2=1929,1930,
 &end
#
#    0 AMB  20-2:357      0 AMB  20-1:357    2.80    (#    357:20  Double Ambig)
 &rst
  ixpk= 357, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1102,1111, 496, 505,
 igr2=1098,1099, 492, 493,
 &end
#
#   74 TYR  HA           74 TYR  HB+         3.50    (#    358:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 358, nxpk= 20, iat=1096,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1098,1099,
 &end
#
#   14 ILE  QG2          74 TYR  HB+         3.50    (#    359:20  Unique         2.61, 3.74 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 199, 200, 201,
 igr2=1098,1099,
 &end
#
#   16 ILE  QG2          74 TYR  HB+         4.50    (#    360:20  Unique         2.36, 4.24 A)
 &rst
  ixpk= 360, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 233, 234, 235,
 igr2=1098,1099,
 &end
#
#    0 AMB  20-2:361      0 AMB  20-1:361    3.50    (#    361:20  Double Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 453, 454, 456, 457, 458,
 igr2= 492, 493, 492, 493,
 &end
#
#    0 AMB  20-2:362      0 AMB  20-1:362    4.50    (#    362:20  Double Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 453, 454, 924, 925,
 igr2= 492, 493, 492, 493,
 &end
#
#   65 LEU  MDY          65 LEU  HB-         2.80    (#    363:20  Unique         2.40, 3.40 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 984, 985,
 &end
#
#  124 LYS  HD-         124 LYS  HE+         2.80    (#    364:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1926,1927,
 igr2=1929,1930,
 &end
#
#   36 LEU  MDY          36 LEU  HB-         4.50    (#    366:20  Unique         2.39, 3.37 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 565, 566,
 &end
#
#   36 LEU  HG           36 LEU  HB-         2.80    (#    367:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 367, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 565, 566,
 &end
#
#   65 LEU  MDX          65 LEU  HB-         3.50    (#    368:20  Unique         2.40, 3.40 A)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 984, 985,
 &end
#
#   66 GLU  HN           65 LEU  HB-         3.50    (#    369:20  Unique         2.32, 3.16 A)
 &rst
  ixpk= 369, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 984, 985,
 &end
#
#   65 LEU  HN           65 LEU  HB-         3.50    (#    370:20  Unique         2.25, 2.50 A)
 &rst
  ixpk= 370, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 984, 985,
 &end
#
#   65 LEU  HA           65 LEU  HB-         3.50    (#    371:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 371, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 984, 985,
 &end
#
#   65 LEU  MDY          65 LEU  HB-         2.80    (#    373:20  Unique         2.40, 3.40 A)
 &rst
  ixpk= 373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 984, 985,
 &end
#
#   65 LEU  HN           65 LEU  HB+         3.50    (#    374:20  Unique         2.25, 2.50 A)
 &rst
  ixpk= 374, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 984, 985,
 &end
#
#   65 LEU  HA           65 LEU  HB+         3.50    (#    375:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 375, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 984, 985,
 &end
#
#   33 VAL  MGX          65 LEU  HB+         4.50    (#    377:20  Unique         2.23, 4.46 A)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 515, 516, 517, 519, 520, 521,
 igr2= 984, 985,
 &end
#
#   65 LEU  MDX          65 LEU  HB+         3.50    (#    378:20  Unique         2.40, 3.40 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 984, 985,
 &end
#
#   36 LEU  MDY          36 LEU  HB+         3.50    (#    379:20  Unique         2.39, 3.37 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 565, 566,
 &end
#
#   36 LEU  MDX          36 LEU  HB+         3.50    (#    380:20  Unique         2.39, 3.37 A)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 565, 566,
 &end
#
#   80 LEU  HN           80 LEU  HB+         4.50    (#    382:20  Unique         2.56, 3.15 A)
 &rst
  ixpk= 382, nxpk= 20, iat=1194,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1198,1199,
 &end
#
#   80 LEU  HA           80 LEU  HB+         3.50    (#    383:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 383, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1198,1199,
 &end
#
#    0 AMB  20-2:384      0 AMB  20-1:384    3.50    (#    384:20  Double Ambig)
 &rst
  ixpk= 384, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1267,1272, 430, 439,
 igr2=1198,1199, 984, 985,
 &end
#
#   80 LEU  HG           80 LEU  HB+         3.50    (#    385:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 385, nxpk= 20, iat=1201,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1198,1199,
 &end
#
#    0 AMB  20-2:386      0 AMB  20-1:386    2.80    (#    386:20  Double Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1198,1199,1198,1199,
 &end
#
#   80 LEU  HA           80 LEU  HB-         3.50    (#    387:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 387, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1198,1199,
 &end
#
#    0 AMB  20-2:388     80 LEU  HB-         2.80    (#    388:20  Single Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1198,1199,
 &end
#
#   80 LEU  HG           80 LEU  HB-         3.50    (#    389:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 389, nxpk= 20, iat=1201,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1198,1199,
 &end
#
#   84 TYR  HE           84 TYR  HB-         4.50    (#    390:20  Unique         4.63, 5.11 A)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1267,1272,
 igr2=1261,1262,
 &end
#
#   84 TYR  HA           84 TYR  HB-         2.80    (#    391:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 391, nxpk= 20, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1261,1262,
 &end
#
#   85 GLN  HN           84 TYR  HB-         2.80    (#    393:20  Unique         2.30, 2.95 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1261,1262,
 &end
#
#   84 TYR  HN           84 TYR  HB+         2.80    (#    394:20  Unique         2.70, 3.30 A)
 &rst
  ixpk= 394, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1261,1262,
 &end
#
#   84 TYR  HE           84 TYR  HB+         4.50    (#    395:20  Unique         4.63, 5.11 A)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1267,1272,
 igr2=1261,1262,
 &end
#
#   84 TYR  HA           84 TYR  HB+         3.50    (#    396:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1261,1262,
 &end
#
#   13 LEU  MDY          13 LEU  HB+         3.50    (#    398:20  Unique         2.41, 3.36 A)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#   13 LEU  MDX          13 LEU  HB+         3.50    (#    400:20  Unique         2.41, 3.36 A)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#   34 ILE  HN           34 ILE  HB          2.80    (#    401:20  Unique         2.46, 2.51 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 525, 529, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ILE  HG1+         34 ILE  HB          3.50    (#    402:20  Unique         2.31, 2.75 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 535, 536,
 &end
#
#   34 ILE  HG1-         34 ILE  HB          3.50    (#    403:20  Unique         2.31, 2.75 A)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 535, 536,
 &end
#
#   34 ILE  QG2          34 ILE  HB          2.80    (#    404:20  Unique         2.44, 2.70 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 531, 532, 533,
 &end
#
#   28 ILE  QG2          34 ILE  HB          2.80    (#    405:20  Unique         3.05, 3.56 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 449, 450, 451,
 &end
#
#   68 VAL  HN           67 ASP  HB+         3.50    (#    406:20  Unique         2.47, 3.23 A)
 &rst
  ixpk= 406, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1018,1019,
 &end
#
#   68 VAL  HN           67 ASP  HB-         3.50    (#    407:20  Unique         2.47, 3.23 A)
 &rst
  ixpk= 407, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1018,1019,
 &end
#
#   81 ASP  HN           81 ASP  HB+         3.50    (#    409:20  Unique         2.22, 2.51 A)
 &rst
  ixpk= 409, nxpk= 20, iat=1213,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1217,1218,
 &end
#
#   30 ASP  HA           30 ASP  HB-         2.80    (#    411:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 411, nxpk= 20, iat= 471,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 473, 474,
 &end
#
#   19 LEU  HN           19 LEU  HB-         4.50    (#    412:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 412, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 294, 295,
 &end
#
#    0 AMB  20-2:413     19 LEU  HB-         2.80    (#    413:20  Single Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 igr2= 294, 295,
 &end
#
#   16 ILE  HN           16 ILE  HB          3.50    (#    415:20  Unique         2.52, 2.64 A)
 &rst
  ixpk= 415, nxpk= 20, iat= 227, 231, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:417      0 AMB  20-1:417    2.80    (#    417:20  Double Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 igr2= 294, 295, 294, 295,
 &end
#
#   16 ILE  QG2          16 ILE  HB          2.80    (#    418:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 233, 234, 235,
 &end
#
#   16 ILE  QD1          16 ILE  HB          2.80    (#    419:20  Unique         2.44, 3.16 A)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 240, 241, 242,
 &end
#
#   16 ILE  HG1+         16 ILE  HB          3.50    (#    420:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 237, 238,
 &end
#
#   30 ASP  HA           30 ASP  HB+         2.80    (#    423:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 423, nxpk= 20, iat= 471,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 473, 474,
 &end
#
#    0 AMB  20-2:424      0 AMB  20-1:424    3.50    (#    424:20  Double Ambig)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 496, 505, 469,
 igr2= 473, 474, 473, 474,
 &end
#
#   81 ASP  HN           81 ASP  HB-         3.50    (#    425:20  Unique         2.22, 2.51 A)
 &rst
  ixpk= 425, nxpk= 20, iat=1213,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1217,1218,
 &end
#
#  122 TYR  HA          122 TYR  HB+         4.50    (#    427:20  Unique         2.28, 2.72 A)
 &rst
  ixpk= 427, nxpk= 20, iat=1890,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1892,1893,
 &end
#
#  116 PHE  HN          116 PHE  HB-         3.50    (#    428:20  Unique         2.20, 2.52 A)
 &rst
  ixpk= 428, nxpk= 20, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1782,1783,
 &end
#
#  116 PHE  HA          116 PHE  HB-         2.80    (#    429:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 429, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1782,1783,
 &end
#
#  116 PHE  HD          116 PHE  HB-         2.80    (#    431:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1786,1794,
 igr2=1782,1783,
 &end
#
#   36 LEU  HN          116 PHE  HB+         5.50    (#    432:20  Unique         4.43, 5.42 A)
 &rst
  ixpk= 432, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1782,1783,
 &end
#
#  114 GLU  HN          116 PHE  HB+         5.50    (#    433:20  Unique         4.56, 5.50 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1746,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1782,1783,
 &end
#
#  116 PHE  HD          116 PHE  HB+         3.50    (#    434:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1786,1794,
 igr2=1782,1783,
 &end
#
#    0 AMB  20-2:437     63 GLU  HG-         4.50    (#    437:20  Single Ambig)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 899, 900, 960, 961,
 igr2= 948, 949,
 &end
#
#   51 PHE  HD           51 PHE  HB+         3.50    (#    439:20  Unique         2.32, 3.09 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 760, 768,
 igr2= 756, 757,
 &end
#
#   56 ASN  HA           56 ASN  HB-         2.80    (#    443:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 831,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 833, 834,
 &end
#
#   57 SER  HA           56 ASN  HB-         4.50    (#    444:20  Unique         4.23, 4.98 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 833, 834,
 &end
#
#   63 GLU  HA           63 GLU  HG+         2.80    (#    445:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 445, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 948, 949,
 &end
#
#   63 GLU  HB+          63 GLU  HG+         2.80    (#    447:20  Unique         2.31, 2.64 A)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 945, 946,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:448      0 AMB  20-1:448    4.50    (#    448:20  Double Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 899, 900, 960, 961,
 igr2= 948, 949, 948, 949,
 &end
#
#   61 LYS  HB+          63 GLU  HG+         4.50    (#    449:20  Unique         2.76, 5.34 A)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 899, 900,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:450      0 AMB  20-1:450    4.50    (#    450:20  Double Ambig)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2= 948, 949, 948, 949,
 &end
#
#   63 GLU  HA           63 GLU  HG-         3.50    (#    451:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 451, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 948, 949,
 &end
#
#   63 GLU  HB+          63 GLU  HG-         2.80    (#    453:20  Unique         2.31, 2.64 A)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 945, 946,
 igr2= 948, 949,
 &end
#
#   61 LYS  HB+          63 GLU  HG-         4.50    (#    454:20  Unique         2.76, 5.34 A)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 899, 900,
 igr2= 948, 949,
 &end
#
#    0 AMB  20-2:455     63 GLU  HG-         4.50    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2= 948, 949,
 &end
#
#   14 ILE  HG1-         14 ILE  HB          3.50    (#    456:20  Unique         2.41, 2.71 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 203, 204,
 &end
#
#   14 ILE  HG1+         14 ILE  HB          2.80    (#    457:20  Unique         2.41, 2.71 A)
 &rst
  ixpk= 457, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 203, 204,
 &end
#
#   25 ALA  MB           14 ILE  HB          3.50    (#    458:20  Unique         2.28, 3.52 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 397, 398, 399,
 &end
#
#    0 AMB  20-2:459     14 ILE  HB          2.80    (#    459:20  Single Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 199, 200, 201, 206, 207, 208,
 &end
#
#   14 ILE  HN           14 ILE  HB          3.50    (#    460:20  Unique         2.59, 2.65 A)
 &rst
  ixpk= 460, nxpk= 20, iat= 193, 197, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 GLU  HB+          22 GLU  HG+         4.50    (#    461:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 341, 342,
 igr2= 344, 345,
 &end
#
#   28 ILE  HA           28 ILE  HB          2.80    (#    462:20  Unique         2.35, 2.39 A)
 &rst
  ixpk= 462, nxpk= 20, iat= 445, 447, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:463     28 ILE  HB          3.50    (#    463:20  Single Ambig)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 453, 454,1423,1424,
 &end
#
#   93 ILE  QG2          28 ILE  HB          2.80    (#    464:20  Unique         2.70, 3.73 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1419,1420,1421,
 &end
#
#   28 ILE  QG2          28 ILE  HB          2.80    (#    465:20  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 449, 450, 451,
 &end
#
#   28 ILE  QD1          28 ILE  HB          2.80    (#    466:20  Unique         2.44, 3.10 A)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 456, 457, 458,
 &end
#
#   21 TYR  HD           21 TYR  HB-         2.80    (#    467:20  Unique         2.33, 3.08 A)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 324, 333,
 igr2= 320, 321,
 &end
#
#   21 TYR  HA           21 TYR  HB-         2.80    (#    468:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 320, 321,
 &end
#
#   77 ASN  HD2-         77 ASN  HB-         4.50    (#    470:20  Unique         2.41, 3.14 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   27 TYR  HD           27 TYR  HB+         3.50    (#    472:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 430, 439,
 igr2= 426, 427,
 &end
#
#   27 TYR  HN           27 TYR  HB+         3.50    (#    474:20  Unique         2.39, 2.53 A)
 &rst
  ixpk= 474, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:475      0 AMB  20-1:475    4.50    (#    475:20  Double Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 337, 644,
 igr2= 320, 321, 648, 649,
 &end
#
#   42 TYR  HD           42 TYR  HB+         2.80    (#    476:20  Unique         2.34, 3.08 A)
 &rst
  ixpk= 476, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 652, 661,
 igr2= 648, 649,
 &end
#
#  106 TYR  HA          106 TYR  HB-         3.50    (#    479:20  Unique         2.30, 2.56 A)
 &rst
  ixpk= 479, nxpk= 20, iat=1621,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1623,1624,
 &end
#
#  108 ILE  QG2         106 TYR  HB-         4.50    (#    480:20  Unique         2.29, 5.68 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1657,1658,1659,
 igr2=1623,1624,
 &end
#
#   27 TYR  HN           27 TYR  HB-         3.50    (#    481:20  Unique         2.39, 2.53 A)
 &rst
  ixpk= 481, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 426, 427,
 &end
#
#   27 TYR  HD           27 TYR  HB-         3.50    (#    483:20  Unique         2.33, 3.07 A)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 430, 439,
 igr2= 426, 427,
 &end
#
#   27 TYR  HA           27 TYR  HB-         3.50    (#    484:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 426, 427,
 &end
#
#   14 ILE  QD1          27 TYR  HB-         3.50    (#    485:20  Unique         2.19, 3.69 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 206, 207, 208,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:486     27 TYR  HB-         4.50    (#    486:20  Single Ambig)
 &rst
  ixpk= 486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 515, 516, 517, 519, 520, 521, 112, 113,
 igr2= 426, 427,
 &end
#
#   77 ASN  HD2-         77 ASN  HB+         4.50    (#    488:20  Unique         2.41, 3.14 A)
 &rst
  ixpk= 488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   77 ASN  HA           77 ASN  HB+         3.50    (#    489:20  Unique         2.46, 2.76 A)
 &rst
  ixpk= 489, nxpk= 20, iat=1157,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1159,1160,
 &end
#
#   93 ILE  HN           92 ILE  HB          2.80    (#    491:20  Unique         2.38, 2.47 A)
 &rst
  ixpk= 491, nxpk= 20, iat=1413,1398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 VAL  HA           92 ILE  HB          3.50    (#    493:20  Unique         2.63, 2.80 A)
 &rst
  ixpk= 493, nxpk= 20, iat=1349,1398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:494     92 ILE  HB          4.50    (#    494:20  Single Ambig)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1404,1405,1423,1424,
 &end
#
#   92 ILE  QD1          92 ILE  HB          2.80    (#    495:20  Unique         2.38, 3.11 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1407,1408,1409,
 &end
#
#   92 ILE  QG2          92 ILE  HB          2.80    (#    496:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1400,1401,1402,
 &end
#
#   42 TYR  HD           42 TYR  HB-         2.80    (#    498:20  Unique         2.34, 3.08 A)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 652, 661,
 igr2= 648, 649,
 &end
#
#   42 TYR  HA           42 TYR  HB-         2.80    (#    499:20  Unique         2.31, 2.70 A)
 &rst
  ixpk= 499, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 648, 649,
 &end
#
#   43 PRO  HD-          42 TYR  HB-         4.50    (#    500:20  Unique         2.19, 3.94 A)
 &rst
  ixpk= 500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 666, 667,
 igr2= 648, 649,
 &end
#
#   61 LYS  HA           61 LYS  HB-         3.50    (#    501:20  Unique         2.46, 2.80 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 899, 900,
 &end
#
#    0 AMB  20-2:503     61 LYS  HB-         4.50    (#    503:20  Single Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 948, 949, 945, 946,
 igr2= 899, 900,
 &end
#
#   61 LYS  HG-          61 LYS  HB-         3.50    (#    504:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#   61 LYS  HA           61 LYS  HB+         3.50    (#    505:20  Unique         2.46, 2.80 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 899, 900,
 &end
#
#   37 ALA  MB           61 LYS  HB+         4.50    (#    507:20  Unique         2.61, 4.68 A)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 584, 585, 586,
 igr2= 899, 900,
 &end
#
#   61 LYS  HG-          61 LYS  HB+         3.50    (#    508:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 902, 903,
 igr2= 899, 900,
 &end
#
#   17 PHE  HD           17 PHE  HB-         3.50    (#    509:20  Unique         2.35, 3.09 A)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 254, 262,
 igr2= 250, 251,
 &end
#
#   17 PHE  HN           17 PHE  HB-         4.50    (#    511:20  Unique         2.38, 3.09 A)
 &rst
  ixpk= 511, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 250, 251,
 &end
#
#   17 PHE  HA           17 PHE  HB-         3.50    (#    512:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 512, nxpk= 20, iat= 248,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 250, 251,
 &end
#
#   17 PHE  HN           17 PHE  HB+         4.50    (#    513:20  Unique         2.38, 3.09 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 250, 251,
 &end
#
#   63 GLU  HA           63 GLU  HB-         2.80    (#    515:20  Unique         2.49, 2.83 A)
 &rst
  ixpk= 515, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 945, 946,
 &end
#
#   63 GLU  HG+          63 GLU  HB-         2.80    (#    516:20  Unique         2.31, 2.64 A)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 948, 949,
 igr2= 945, 946,
 &end
#
#   93 ILE  HN           93 ILE  HB          2.80    (#    517:20  Unique         2.08, 2.17 A)
 &rst
  ixpk= 517, nxpk= 20, iat=1413,1417, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 GLU  HA           93 ILE  HB          3.50    (#    518:20  Unique         2.58, 2.68 A)
 &rst
  ixpk= 518, nxpk= 20, iat=1365,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  QD1          93 ILE  HB          2.80    (#    519:20  Preassigned    2.48, 3.23 A)
 &rst
  ixpk= 519, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1426,1427,1428,
 &end
#
#   94 SER  HN           93 ILE  HB          3.50    (#    520:20  Unique         2.56, 2.76 A)
 &rst
  ixpk= 520, nxpk= 20, iat=1432,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HA           93 ILE  HB          3.50    (#    521:20  Unique         3.01, 3.03 A)
 &rst
  ixpk= 521, nxpk= 20, iat=1415,1417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HG1-         93 ILE  HB          3.50    (#    522:20  Unique         2.09, 2.73 A)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#   93 ILE  QG2          93 ILE  HB          2.80    (#    523:20  Preassigned    2.39, 2.64 A)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1419,1420,1421,
 &end
#
#   63 GLU  HG+          63 GLU  HB+         2.80    (#    524:20  Unique         2.31, 2.64 A)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 948, 949,
 igr2= 945, 946,
 &end
#
#   78 ASN  HD2+         78 ASN  HB-         2.80    (#    525:20  Unique         2.26, 3.15 A)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1178,1179,
 igr2=1173,1174,
 &end
#
#   78 ASN  HA           78 ASN  HB-         3.50    (#    526:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 526, nxpk= 20, iat=1171,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1173,1174,
 &end
#
#   78 ASN  HD2+         78 ASN  HB+         2.80    (#    528:20  Unique         2.26, 3.15 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1178,1179,
 igr2=1173,1174,
 &end
#
#   78 ASN  HN           78 ASN  HB+         3.50    (#    529:20  Unique         2.35, 3.01 A)
 &rst
  ixpk= 529, nxpk= 20, iat=1169,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1173,1174,
 &end
#
#   64 ARG  HN           63 GLU  HB-         3.50    (#    531:20  Unique         2.21, 3.22 A)
 &rst
  ixpk= 531, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:533     63 GLU  HB-         3.50    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 515, 516, 517, 519, 520, 521,
 igr2= 945, 946,
 &end
#
#  104 MET  HG-         104 MET  HB-         3.50    (#    534:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1587,1588,
 igr2=1584,1585,
 &end
#
#  104 MET  HG-         104 MET  HB+         4.50    (#    538:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1587,1588,
 igr2=1584,1585,
 &end
#
#    0 AMB  20-2:540      0 AMB  20-1:540    3.50    (#    540:20  Double Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 515, 516, 517, 519, 520, 521,
 igr2= 945, 946, 945, 946, 945, 946,
 &end
#
#   63 GLU  HA           63 GLU  HB+         3.50    (#    541:20  Unique         2.49, 2.83 A)
 &rst
  ixpk= 541, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:542      0 AMB  20-1:542    4.50    (#    542:20  Double Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 899, 900, 960, 961,
 igr2= 945, 946, 945, 946,
 &end
#
#   64 ARG  HN           63 GLU  HB+         4.50    (#    543:20  Unique         2.21, 3.22 A)
 &rst
  ixpk= 543, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 945, 946,
 &end
#
#   98 GLU  HN           98 GLU  HG-         2.80    (#    545:20  Unique         2.57, 3.19 A)
 &rst
  ixpk= 545, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1493,1494,
 &end
#
#   98 GLU  HA           98 GLU  HG-         2.80    (#    546:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 546, nxpk= 20, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1493,1494,
 &end
#
#   98 GLU  HN           98 GLU  HG+         3.50    (#    547:20  Unique         2.57, 3.19 A)
 &rst
  ixpk= 547, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1493,1494,
 &end
#
#   98 GLU  HA           98 GLU  HG+         2.80    (#    548:20  Unique         2.35, 3.03 A)
 &rst
  ixpk= 548, nxpk= 20, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1493,1494,
 &end
#
#   90 GLU  HN           90 GLU  HG+         2.80    (#    549:20  Unique         2.23, 2.94 A)
 &rst
  ixpk= 549, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1370,1371,
 &end
#
#   91 VAL  HN           90 GLU  HG+         4.50    (#    550:20  Unique         2.18, 2.73 A)
 &rst
  ixpk= 550, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1370,1371,
 &end
#
#   90 GLU  HA           90 GLU  HG+         3.50    (#    551:20  Unique         3.74, 3.86 A)
 &rst
  ixpk= 551, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1370,1371,
 &end
#
#   91 VAL  MGX          90 GLU  HG+         3.50    (#    552:20  Unique         2.36, 5.00 A)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1370,1371,
 &end
#
#   91 VAL  MGY          90 GLU  HG+         4.50    (#    553:20  Unique         2.36, 5.00 A)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1370,1371,
 &end
#
#   66 GLU  HN           66 GLU  HG+         2.80    (#    554:20  Unique         1.78, 2.31 A)
 &rst
  ixpk= 554, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1006,1007,
 &end
#
#   66 GLU  HA           66 GLU  HG+         2.80    (#    555:20  Unique         2.64, 3.08 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1006,1007,
 &end
#
#   41 GLU  HA           41 GLU  HG+         3.50    (#    556:20  Unique         2.37, 2.93 A)
 &rst
  ixpk= 556, nxpk= 20, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 636, 637,
 &end
#
#    0 AMB  20-2:557      0 AMB  20-1:557    3.50    (#    557:20  Double Ambig)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1565,1566, 905, 906,
 igr2= 871, 872, 871, 872,
 &end
#
#   60 VAL  HN           59 GLU  HG+         3.50    (#    558:20  Unique         2.44, 2.89 A)
 &rst
  ixpk= 558, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 871, 872,
 &end
#
#   59 GLU  HA           59 GLU  HG+         2.80    (#    559:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 559, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 871, 872,
 &end
#
#    0 AMB  20-2:560      0 AMB  20-1:560    2.80    (#    560:20  Double Ambig)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 868, 869, 868, 869,
 igr2= 871, 872, 871, 872,
 &end
#
#    7 GLU  HB+           7 GLU  HG-         2.80    (#    562:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#    7 GLU  HA            7 GLU  HG-         3.50    (#    563:20  Unique         2.29, 2.89 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  97,  98,
 &end
#
#    8 PRO  HD+           7 GLU  HG-         5.50    (#    564:20  Unique         2.33, 3.98 A)
 &rst
  ixpk= 564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#    7 GLU  HA            7 GLU  HG+         3.50    (#    565:20  Unique         2.29, 2.89 A)
 &rst
  ixpk= 565, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  97,  98,
 &end
#
#    8 PRO  HD+           7 GLU  HG+         4.50    (#    566:20  Unique         2.33, 3.98 A)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#    7 GLU  HB+           7 GLU  HG+         2.80    (#    567:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#   83 GLU  HA           83 GLU  HG+         3.50    (#    568:20  Unique         2.87, 3.45 A)
 &rst
  ixpk= 568, nxpk= 20, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1249,1250,
 &end
#
#    0 AMB  20-2:569      0 AMB  20-1:569    4.50    (#    569:20  Double Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1249,1250,1249,1250,
 &end
#
#   83 GLU  HB+          83 GLU  HG+         2.80    (#    570:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1246,1247,
 igr2=1249,1250,
 &end
#
#   33 VAL  HA           33 VAL  HB          2.80    (#    571:20  Unique         2.45, 2.52 A)
 &rst
  ixpk= 571, nxpk= 20, iat= 511, 513, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 HIS  HA           35 HIS  HB+         3.50    (#    572:20  Unique         2.38, 2.48 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 548, 549,
 &end
#
#   25 ALA  MB           35 HIS  HB+         3.50    (#    573:20  Unique         2.38, 3.65 A)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 397, 398, 399,
 igr2= 548, 549,
 &end
#
#   35 HIS  HA           35 HIS  HB-         4.50    (#    574:20  Unique         2.38, 2.48 A)
 &rst
  ixpk= 574, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 548, 549,
 &end
#
#   25 ALA  MB           35 HIS  HB-         4.50    (#    575:20  Unique         2.38, 3.65 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 397, 398, 399,
 igr2= 548, 549,
 &end
#
#   34 ILE  HN           33 VAL  HB          2.80    (#    576:20  Unique         2.38, 2.55 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 525, 513, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 ALA  MB           33 VAL  HB          2.80    (#    577:20  Unique         2.09, 3.07 A)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 397, 398, 399,
 &end
#
#   33 VAL  MGX          33 VAL  HB          2.80    (#    578:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 578, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  MGY          33 VAL  HB          2.80    (#    579:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   23 HIS  HA           23 HIS  HB-         4.50    (#    580:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 580, nxpk= 20, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 356, 357,
 &end
#
#  102 GLN  HN          102 GLN  HG-         3.50    (#    581:20  Unique         2.43, 3.01 A)
 &rst
  ixpk= 581, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#    0 AMB  20-2:582    102 GLN  HG-         3.50    (#    582:20  Single Ambig)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1503,1536,1537,
 igr2=1548,1549,
 &end
#
#  102 GLN  HA          102 GLN  HG-         3.50    (#    583:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 583, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1548,1549,
 &end
#
#  102 GLN  HB-         102 GLN  HG-         2.80    (#    584:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1545,1546,
 igr2=1548,1549,
 &end
#
#  102 GLN  HN          102 GLN  HG+         2.80    (#    585:20  Unique         2.43, 3.01 A)
 &rst
  ixpk= 585, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2+        102 GLN  HG+         4.50    (#    586:20  Unique         2.26, 3.25 A)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#    0 AMB  20-2:587      0 AMB  20-1:587    3.50    (#    587:20  Double Ambig)
 &rst
  ixpk= 587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1503,1536,1537,
 igr2=1548,1549,1548,1549,
 &end
#
#  102 GLN  HA          102 GLN  HG+         2.80    (#    588:20  Unique         2.47, 2.84 A)
 &rst
  ixpk= 588, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1548,1549,
 &end
#
#  102 GLN  HB-         102 GLN  HG+         2.80    (#    589:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1545,1546,
 igr2=1548,1549,
 &end
#
#  119 GLN  HB-         119 GLN  HG-         2.80    (#    592:20  Unique         2.34, 2.69 A)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1832,1833,
 igr2=1835,1836,
 &end
#
#  119 GLN  HA          119 GLN  HG-         3.50    (#    593:20  Unique         2.39, 3.01 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1835,1836,
 &end
#
#  119 GLN  HB+         119 GLN  HG-         2.80    (#    594:20  Unique         2.34, 2.69 A)
 &rst
  ixpk= 594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1832,1833,
 igr2=1835,1836,
 &end
#
#  119 GLN  HN          119 GLN  HG-         3.50    (#    595:20  Unique         2.06, 3.07 A)
 &rst
  ixpk= 595, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1835,1836,
 &end
#
#  119 GLN  HN          119 GLN  HG+         4.50    (#    596:20  Unique         2.06, 3.07 A)
 &rst
  ixpk= 596, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1835,1836,
 &end
#
#  119 GLN  HA          119 GLN  HG+         3.50    (#    597:20  Unique         2.39, 3.01 A)
 &rst
  ixpk= 597, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1835,1836,
 &end
#
#   59 GLU  HN           59 GLU  HB+         4.50    (#    598:20  Unique         2.42, 2.95 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 868, 869,
 &end
#
#   59 GLU  HA           59 GLU  HB+         2.80    (#    599:20  Unique         2.41, 2.79 A)
 &rst
  ixpk= 599, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 868, 869,
 &end
#
#   61 LYS  HE+          59 GLU  HB+         4.50    (#    600:20  Unique         2.06, 3.98 A)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 908, 909,
 igr2= 868, 869,
 &end
#
#  104 MET  HN          103 LYS  HB-         2.80    (#    601:20  Preassigned    2.41, 3.28 A)
 &rst
  ixpk= 601, nxpk= 20, iat=1580,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1562,1563,
 &end
#
#  103 LYS  HN          103 LYS  HB-         2.80    (#    602:20  Unique         2.35, 3.08 A)
 &rst
  ixpk= 602, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1562,1563,
 &end
#
#  103 LYS  HA            0 AMB  20-1:603    2.80    (#    603:20  Single Ambig)
 &rst
  ixpk= 603, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1562,1563, 868, 869,
 &end
#
#    0 AMB  20-2:604      0 AMB  20-1:604    4.50    (#    604:20  Double Ambig)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1571,1572,1571,1572,
 igr2=1562,1563, 868, 869,
 &end
#
#    0 AMB  20-2:605      0 AMB  20-1:605    2.80    (#    605:20  Double Ambig)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1565,1566,1565,1566,1565,1566,
 igr2=1562,1563, 868, 869, 868, 869,
 &end
#
#   59 GLU  HN           59 GLU  HB-         4.50    (#    606:20  Unique         2.42, 2.95 A)
 &rst
  ixpk= 606, nxpk= 20, iat= 864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 868, 869,
 &end
#
#  124 LYS  HG+         124 LYS  HB-         3.50    (#    607:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1923,1924,
 igr2=1920,1921,
 &end
#
#  124 LYS  HA          124 LYS  HB-         2.80    (#    608:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 608, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1920,1921,
 &end
#
#  124 LYS  HG-         124 LYS  HB-         5.50    (#    609:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1923,1924,
 igr2=1920,1921,
 &end
#
#  124 LYS  HG+         124 LYS  HB+         4.50    (#    611:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1923,1924,
 igr2=1920,1921,
 &end
#
#  125 SER  HN          124 LYS  HB+         4.50    (#    612:20  Unique         1.87, 3.29 A)
 &rst
  ixpk= 612, nxpk= 20, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1920,1921,
 &end
#
#  124 LYS  HA          124 LYS  HB+         3.50    (#    613:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 613, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1920,1921,
 &end
#
#  124 LYS  HG-         124 LYS  HB+         3.50    (#    614:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1923,1924,
 igr2=1920,1921,
 &end
#
#  114 GLU  HB-         114 GLU  HG+         4.50    (#    615:20  Unique         2.23, 2.70 A)
 &rst
  ixpk= 615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1750,1751,
 igr2=1753,1754,
 &end
#
#  114 GLU  HB+         114 GLU  HG+         2.80    (#    617:20  Unique         2.23, 2.70 A)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1750,1751,
 igr2=1753,1754,
 &end
#
#  114 GLU  HB+         114 GLU  HG-         2.80    (#    618:20  Unique         2.23, 2.70 A)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1750,1751,
 igr2=1753,1754,
 &end
#
#  100 VAL  HN           99 MET  HB-         3.50    (#    621:20  Unique         2.76, 3.26 A)
 &rst
  ixpk= 621, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#   99 MET  HA           99 MET  HB-         2.80    (#    622:20  Unique         2.50, 2.77 A)
 &rst
  ixpk= 622, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1505,1506,
 &end
#
#   99 MET  HN           99 MET  HB-         2.80    (#    623:20  Unique         2.36, 2.98 A)
 &rst
  ixpk= 623, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1505,1506,
 &end
#
#   99 MET  HG-          99 MET  HB-         3.50    (#    624:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1508,1509,
 igr2=1505,1506,
 &end
#
#   99 MET  HG+          99 MET  HB-         3.50    (#    625:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1508,1509,
 igr2=1505,1506,
 &end
#
#   85 GLN  HN           85 GLN  HG+         3.50    (#    630:20  Unique         2.24, 3.14 A)
 &rst
  ixpk= 630, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1285,1286,
 &end
#
#   85 GLN  HA           85 GLN  HG+         2.80    (#    631:20  Unique         2.40, 3.31 A)
 &rst
  ixpk= 631, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1285,1286,
 &end
#
#   86 PRO  HD-          85 GLN  HG+         4.50    (#    632:20  Unique         3.91, 4.83 A)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1296,1297,
 igr2=1285,1286,
 &end
#
#   85 GLN  HB+          85 GLN  HG+         2.80    (#    633:20  Unique         2.31, 2.62 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1282,1283,
 igr2=1285,1286,
 &end
#
#   86 PRO  HD+          85 GLN  HG+         4.50    (#    634:20  Unique         3.91, 4.83 A)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1296,1297,
 igr2=1285,1286,
 &end
#
#  117 VAL  MGY          24 TRP  HB+         2.80    (#    636:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2= 373, 374,
 &end
#
#  117 VAL  MGY          24 TRP  HB-         3.50    (#    638:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2= 373, 374,
 &end
#
#   75 ARG  HG-          75 ARG  HB-         3.50    (#    639:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1122,1123,
 igr2=1119,1120,
 &end
#
#   75 ARG  HA           75 ARG  HB-         2.80    (#    640:20  Unique         2.34, 2.55 A)
 &rst
  ixpk= 640, nxpk= 20, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1119,1120,
 &end
#
#   76 VAL  HN           75 ARG  HB-         3.50    (#    641:20  Unique         2.42, 3.30 A)
 &rst
  ixpk= 641, nxpk= 20, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1119,1120,
 &end
#
#   75 ARG  HD-          75 ARG  HB-         4.50    (#    642:20  Unique         2.40, 3.02 A)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,
 igr2=1119,1120,
 &end
#
#   75 ARG  HD+          75 ARG  HB-         4.50    (#    643:20  Unique         2.40, 3.02 A)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,
 igr2=1119,1120,
 &end
#
#  105 LYS  HN          105 LYS  HB+         3.50    (#    644:20  Unique         2.35, 3.04 A)
 &rst
  ixpk= 644, nxpk= 20, iat=1597,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1601,1602,
 &end
#
#  105 LYS  HA          105 LYS  HB+         2.80    (#    646:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 646, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1601,1602,
 &end
#
#  105 LYS  HG-         105 LYS  HB+         2.80    (#    647:20  Unique         2.41, 2.75 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1604,1605,
 igr2=1601,1602,
 &end
#
#   99 MET  HN           99 MET  HG-         3.50    (#    648:20  Unique         2.35, 3.00 A)
 &rst
  ixpk= 648, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1508,1509,
 &end
#
#  116 PHE  HE           99 MET  HG-         4.50    (#    650:20  Unique         2.40, 5.28 A)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1788,1792,
 igr2=1508,1509,
 &end
#
#   99 MET  HA           99 MET  HG-         3.50    (#    651:20  Unique         2.70, 3.21 A)
 &rst
  ixpk= 651, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1508,1509,
 &end
#
#   99 MET  HA           99 MET  HG+         2.80    (#    652:20  Unique         2.70, 3.21 A)
 &rst
  ixpk= 652, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1508,1509,
 &end
#
#    0 AMB  20-2:654      0 AMB  20-1:654    4.50    (#    654:20  Double Ambig)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1512,1513,1514,1490,1491,
 igr2=1508,1509,1508,1509,
 &end
#
#   99 MET  HN           99 MET  HG+         3.50    (#    655:20  Unique         2.35, 3.00 A)
 &rst
  ixpk= 655, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1508,1509,
 &end
#
#   99 MET  HB-          99 MET  HG+         2.80    (#    656:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1505,1506,
 igr2=1508,1509,
 &end
#
#   97 LYS  HN            0 AMB  20-1:657    2.80    (#    657:20  Single Ambig)
 &rst
  ixpk= 657, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1468,1469,1468,1469,
 &end
#
#   98 GLU  HN            0 AMB  20-1:658    3.50    (#    658:20  Single Ambig)
 &rst
  ixpk= 658, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1468,1469,1468,1469,
 &end
#
#   97 LYS  HA            0 AMB  20-1:659    2.80    (#    659:20  Single Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1468,1469,1468,1469,
 &end
#
#   97 LYS  HG-           0 AMB  20-1:660    2.80    (#    660:20  Single Ambig)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1471,1472,
 igr2=1468,1469,1468,1469,
 &end
#
#   88 PRO  HA           88 PRO  HB-         2.80    (#    661:20  Unique         2.28, 2.52 A)
 &rst
  ixpk= 661, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:662     88 PRO  HB-         2.80    (#    662:20  Single Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1337,1338,1382,
 igr2=1340,1341,
 &end
#
#   88 PRO  HG-          88 PRO  HB-         2.80    (#    663:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1337,1338,
 igr2=1340,1341,
 &end
#
#  104 MET  ME          104 MET  HG-         3.50    (#    665:20  Unique         2.46, 3.20 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1591,1592,1593,
 igr2=1587,1588,
 &end
#
#  104 MET  HB+         104 MET  HG-         3.50    (#    666:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#  104 MET  HB+         104 MET  HG+         2.80    (#    668:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1584,1585,
 igr2=1587,1588,
 &end
#
#   53 VAL  HA           53 VAL  HB          3.50    (#    669:20  Unique         2.34, 2.64 A)
 &rst
  ixpk= 669, nxpk= 20, iat= 785, 787, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 VAL  MGY          53 VAL  HB          2.80    (#    670:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1, 787, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 789, 790, 791, 793, 794, 795,
 &end
#
#   50 VAL  HA           50 VAL  HB          2.80    (#    671:20  Unique         2.39, 2.49 A)
 &rst
  ixpk= 671, nxpk= 20, iat= 738, 740, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:672     50 VAL  HB          2.80    (#    672:20  Single Ambig)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1, 740, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
#   94 SER  HA            0 AMB  20-1:673    3.50    (#    673:20  Single Ambig)
 &rst
  ixpk= 673, nxpk= 20, iat=1434,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1468,1469,1468,1469,
 &end
#
#   84 TYR  HN           83 GLU  HB+         2.80    (#    674:20  Unique         2.38, 2.98 A)
 &rst
  ixpk= 674, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1246,1247,
 &end
#
#   83 GLU  HN           83 GLU  HB+         2.80    (#    675:20  Unique         2.44, 3.10 A)
 &rst
  ixpk= 675, nxpk= 20, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1246,1247,
 &end
#
#   84 TYR  HE           83 GLU  HB+         3.50    (#    676:20  Unique         2.92, 3.98 A)
 &rst
  ixpk= 676, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1267,1272,
 igr2=1246,1247,
 &end
#
#   84 TYR  HH           83 GLU  HB+         4.50    (#    677:20  Unique         3.65, 4.29 A)
 &rst
  ixpk= 677, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1246,1247,
 &end
#
#   83 GLU  HA           83 GLU  HB+         2.80    (#    678:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 678, nxpk= 20, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1246,1247,
 &end
#
#    0 AMB  20-2:679      0 AMB  20-1:679    2.80    (#    679:20  Double Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1249,1250,1249,1250,
 igr2=1246,1247,1246,1247,
 &end
#
#   80 LEU  MDY          83 GLU  HB+         4.50    (#    680:20  Unique         3.13, 5.29 A)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1203,1204,1205,1207,1208,1209,
 igr2=1246,1247,
 &end
#
#   91 VAL  MGX          88 PRO  HB-         3.50    (#    681:20  Unique         2.33, 5.47 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:684      0 AMB  20-1:684    2.80    (#    684:20  Double Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 789, 790, 791, 793, 794, 795,1384,1385,1386,1388,
      1389,1390,
 igr2= 672, 673,1382,
 &end
#
#   62 ARG  HD-          62 ARG  HB-         3.50    (#    687:20  Unique         2.42, 3.12 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 927, 928,
 igr2= 921, 922,
 &end
#
#   76 VAL  HN           76 VAL  HB          2.80    (#    688:20  Unique         2.45, 2.56 A)
 &rst
  ixpk= 688, nxpk= 20, iat=1139,1143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    9 LYS  HN            9 LYS  HB+         3.50    (#    689:20  Unique         2.39, 3.13 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 123, 124,
 &end
#
#   10 PRO  HD-           9 LYS  HB+         2.80    (#    690:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 142, 143,
 igr2= 123, 124,
 &end
#
#    9 LYS  HN            9 LYS  HB-         3.50    (#    691:20  Unique         2.39, 3.13 A)
 &rst
  ixpk= 691, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 123, 124,
 &end
#
#   91 VAL  MGX          88 PRO  HB+         3.50    (#    694:20  Unique         2.33, 5.47 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1340,1341,
 &end
#
#   69 VAL  HN           68 VAL  HB          3.50    (#    695:20  Unique         2.65, 2.78 A)
 &rst
  ixpk= 695, nxpk= 20, iat=1042,1030, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:696     68 VAL  HB          2.80    (#    696:20  Single Ambig)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1,1030, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 982,1028,
 &end
#
#   68 VAL  HN           68 VAL  HB          2.80    (#    697:20  Unique         2.32, 2.43 A)
 &rst
  ixpk= 697, nxpk= 20, iat=1026,1030, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:698     68 VAL  HB          2.80    (#    698:20  Single Ambig)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,1030, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 515, 516, 517, 519, 520, 521,
 &end
#
#   22 GLU  HG+          22 GLU  HB+         4.50    (#    699:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 344, 345,
 igr2= 341, 342,
 &end
#
#  100 VAL  MGX          62 ARG  HB+         4.50    (#    701:20  Unique         2.20, 4.02 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 921, 922,
 &end
#
#   62 ARG  HG+          62 ARG  HB+         2.80    (#    702:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:704      0 AMB  20-1:704    4.50    (#    704:20  Double Ambig)
 &rst
  ixpk= 704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 666, 667, 622, 623,
 igr2= 672, 673, 611, 612,
 &end
#
#    0 AMB  20-2:705      0 AMB  20-1:705    3.50    (#    705:20  Double Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 822, 823,1380,
 igr2= 672, 673,1382,
 &end
#
#    0 AMB  20-2:706      0 AMB  20-1:706    4.50    (#    706:20  Double Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 679,1394,
 igr2= 672, 673,1382,
 &end
#
#   91 VAL  HN           91 VAL  HB          2.80    (#    707:20  Unique         2.50, 2.65 A)
 &rst
  ixpk= 707, nxpk= 20, iat=1378,1382, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  MGX          91 VAL  HB          2.80    (#    708:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,1382, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#  109 VAL  HA          109 VAL  HB          3.50    (#    709:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 709, nxpk= 20, iat=1672,1674, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 VAL  MGX         109 VAL  HB          2.80    (#    710:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,1674, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1676,1677,1678,1680,1681,1682,
 &end
#
#   62 ARG  HN           62 ARG  HB-         3.50    (#    711:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 711, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:712      0 AMB  20-1:712    4.50    (#    712:20  Double Ambig)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 142, 143,1296,1297,
 igr2= 148, 149,1302,1303,
 &end
#
#   62 ARG  HA           62 ARG  HB-         4.50    (#    713:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 713, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 921, 922,
 &end
#
#   62 ARG  HG+          62 ARG  HB-         4.50    (#    715:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:716      0 AMB  20-1:716    2.80    (#    716:20  Double Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
      1529,1530,
 igr2= 148, 149, 921, 922,
 &end
#
#   86 PRO  HA           86 PRO  HB-         3.50    (#    717:20  Unique         2.27, 2.61 A)
 &rst
  ixpk= 717, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1302,1303,
 &end
#
#   43 PRO  HD+          43 PRO  HB+         4.50    (#    718:20  Unique         2.77, 3.67 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 666, 667,
 igr2= 672, 673,
 &end
#
#   76 VAL  MGY          76 VAL  HB          2.80    (#    719:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   89 VAL  MGX          10 PRO  HB-         5.50    (#    720:20  Unique         2.18, 4.51 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 148, 149,
 &end
#
#   76 VAL  MGX          76 VAL  HB          2.80    (#    721:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:722     69 VAL  HB          2.80    (#    722:20  Single Ambig)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,1046, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1048,1049,1050,1052,1053,1054,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:723     69 VAL  HB          2.80    (#    723:20  Single Ambig)
 &rst
  ixpk= 723, nxpk= 20, iat=  -1,1046, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
      1053,1054,
 &end
#
#   62 ARG  HA           62 ARG  HB+         3.50    (#    725:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 725, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 921, 922,
 &end
#
#   62 ARG  HD-          62 ARG  HB+         4.50    (#    726:20  Unique         2.42, 3.12 A)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928,
 igr2= 921, 922,
 &end
#
#  100 VAL  MGY          62 ARG  HB+         5.50    (#    728:20  Unique         2.20, 4.02 A)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 921, 922,
 &end
#
#   15 GLU  HG-          15 GLU  HB+         4.50    (#    729:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 219, 220,
 igr2= 216, 217,
 &end
#
#    0 AMB  20-2:731     15 GLU  HB-         3.50    (#    731:20  Single Ambig)
 &rst
  ixpk= 731, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 214,1159,1160,
 igr2= 216, 217,
 &end
#
#    0 AMB  20-2:733      0 AMB  20-1:733    2.80    (#    733:20  Double Ambig)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1353,1354,1355,1357,1358,1359,1524,1525,1526,1528,
      1529,1530,
 igr2=1351,1522,
 &end
#
#   90 GLU  HN           89 VAL  HB          4.50    (#    734:20  Unique         2.87, 3.45 A)
 &rst
  ixpk= 734, nxpk= 20, iat=1363,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 VAL  HN           89 VAL  HB          2.80    (#    735:20  Unique         2.31, 2.37 A)
 &rst
  ixpk= 735, nxpk= 20, iat=1347,1351, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 VAL  HA           89 VAL  HB          3.50    (#    736:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 736, nxpk= 20, iat=1349,1351, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   89 VAL  MGY          89 VAL  HB          2.80    (#    737:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,1351, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   10 PRO  HA           10 PRO  HB+         2.80    (#    738:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 738, nxpk= 20, iat= 151,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 148, 149,
 &end
#
#   89 VAL  MGY          10 PRO  HB+         2.80    (#    739:20  Unique         2.18, 4.51 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 148, 149,
 &end
#
#   10 PRO  HA           10 PRO  HB-         2.80    (#    740:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 740, nxpk= 20, iat= 151,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 148, 149,
 &end
#
#    0 AMB  20-2:741      8 PRO  HB-         3.50    (#    741:20  Single Ambig)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
 igr2= 112, 113,
 &end
#
#    8 PRO  HG-           8 PRO  HB-         4.50    (#    742:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:743      0 AMB  20-1:743    4.50    (#    743:20  Double Ambig)
 &rst
  ixpk= 743, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 426, 427, 106, 107,
 igr2= 112, 113, 112, 113,
 &end
#
#  100 VAL  MGY         100 VAL  HB          2.80    (#    744:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HN          100 VAL  HB          2.80    (#    745:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 745, nxpk= 20, iat=1518,1522, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 VAL  HA          100 VAL  HB          3.50    (#    746:20  Unique         2.57, 3.01 A)
 &rst
  ixpk= 746, nxpk= 20, iat=1520,1522, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 LYS  HN            8 PRO  HB-         4.50    (#    747:20  Unique         2.72, 3.39 A)
 &rst
  ixpk= 747, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 112, 113,
 &end
#
#   27 TYR  HB+           8 PRO  HB-         5.50    (#    748:20  Unique         2.66, 3.65 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 426, 427,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:749      8 PRO  HB-         4.50    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 109, 110, 203, 204,
 igr2= 112, 113,
 &end
#
#   76 VAL  MGX           8 PRO  HB-         2.80    (#    750:20  Unique         2.36, 4.53 A)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 112, 113,
 &end
#
#    8 PRO  HA            8 PRO  HB-         2.80    (#    752:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 752, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 112, 113,
 &end
#
#    9 LYS  HN            8 PRO  HB+         4.50    (#    753:20  Unique         2.72, 3.39 A)
 &rst
  ixpk= 753, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 112, 113,
 &end
#
#    8 PRO  HA            8 PRO  HB+         3.50    (#    754:20  Unique         2.30, 2.52 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 112, 113,
 &end
#
#    0 AMB  20-2:756      0 AMB  20-1:756    3.50    (#    756:20  Double Ambig)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 109, 110, 203, 204,
 igr2= 112, 113, 112, 113,
 &end
#
#    8 PRO  HG-           8 PRO  HB+         3.50    (#    757:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 109, 110,
 igr2= 112, 113,
 &end
#
#   60 VAL  MGX          60 VAL  HB          2.80    (#    758:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  101 GLY  HN           60 VAL  HB          3.50    (#    759:20  Unique         2.71, 2.81 A)
 &rst
  ixpk= 759, nxpk= 20, iat=1534, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HN           60 VAL  HB          3.50    (#    760:20  Unique         2.54, 2.59 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 879, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLN  HN           60 VAL  HB          3.50    (#    761:20  Unique         2.71, 2.80 A)
 &rst
  ixpk= 761, nxpk= 20, iat=1541, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:762     60 VAL  HB          4.50    (#    762:20  Single Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1545,1546,1522,
 &end
#
#   60 VAL  MGY          60 VAL  HB          2.80    (#    763:20  Unique         2.39, 2.68 A)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#    5 HIS  HA            5 HIS  HB+         2.80    (#    765:20  Unique         2.37, 2.67 A)
 &rst
  ixpk= 765, nxpk= 20, iat=  58,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  60,  61,
 &end
#
#    5 HIS  HA            5 HIS  HB-         3.50    (#    766:20  Unique         2.37, 2.67 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  58,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  60,  61,
 &end
#
#  117 VAL  HA          117 VAL  HB          2.80    (#    767:20  Unique         2.36, 2.40 A)
 &rst
  ixpk= 767, nxpk= 20, iat=1800,1802, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:768    117 VAL  HB          3.50    (#    768:20  Single Ambig)
 &rst
  ixpk= 768, nxpk= 20, iat=  -1,1802, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1804,1805,1806,1808,1809,1810, 412, 413, 414, 416,
       417, 418,
 &end
#
#  117 VAL  MGX         117 VAL  HB          2.80    (#    769:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,1802, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#   13 LEU  MDX         117 VAL  HB          2.80    (#    770:20  Unique         2.19, 4.05 A)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,1802, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   41 GLU  HG+          41 GLU  HB+         2.80    (#    771:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 636, 637,
 igr2= 633, 634,
 &end
#
#   41 GLU  HA           41 GLU  HB-         3.50    (#    772:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 772, nxpk= 20, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 633, 634,
 &end
#
#   41 GLU  HG+          41 GLU  HB-         2.80    (#    773:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 636, 637,
 igr2= 633, 634,
 &end
#
#   38 PRO  HA           38 PRO  HB-         4.50    (#    774:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 774, nxpk= 20, iat= 600,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 597, 598,
 &end
#
#   38 PRO  HA           38 PRO  HB+         3.50    (#    775:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 775, nxpk= 20, iat= 600,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 597, 598,
 &end
#
#   18 ARG  HA           18 ARG  HB-         4.50    (#    776:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 776, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 270, 271,
 &end
#
#  121 ARG  HN          121 ARG  HB+         3.50    (#    778:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 778, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1868,1869,
 &end
#
#  115 HIS  HN          115 HIS  HB+         4.50    (#    782:20  Unique         2.22, 2.76 A)
 &rst
  ixpk= 782, nxpk= 20, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1765,1766,
 &end
#
#    7 GLU  HA            7 GLU  HB-         2.80    (#    783:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  94,  95,
 &end
#
#    8 PRO  HD+           7 GLU  HB-         4.50    (#    784:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  94,  95,
 &end
#
#    7 GLU  HG-           7 GLU  HB-         2.80    (#    785:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  97,  98,
 igr2=  94,  95,
 &end
#
#    6 GLN  HA            6 GLN  HB-         2.80    (#    787:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  77,  78,
 &end
#
#    8 PRO  HD-           7 GLU  HB-         4.50    (#    788:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  94,  95,
 &end
#
#    7 GLU  HA            7 GLU  HB+         2.80    (#    789:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  94,  95,
 &end
#
#    6 GLN  HA            6 GLN  HB+         2.80    (#    791:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 791, nxpk= 20, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  77,  78,
 &end
#
#    7 GLU  HG-           7 GLU  HB+         2.80    (#    792:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  97,  98,
 igr2=  94,  95,
 &end
#
#    0 AMB  20-2:793    114 GLU  HB-         4.50    (#    793:20  Single Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1753,1754,1820,1821,1822,
 igr2=1750,1751,
 &end
#
#   97 LYS  HE+          97 LYS  HD+         3.50    (#    795:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#   97 LYS  HN           97 LYS  HD+         4.50    (#    796:20  Unique         3.70, 4.16 A)
 &rst
  ixpk= 796, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1474,1475,
 &end
#
#   94 SER  HA           97 LYS  HD+         3.50    (#    797:20  Unique         2.56, 3.30 A)
 &rst
  ixpk= 797, nxpk= 20, iat=1434,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1474,1475,
 &end
#
#   82 HIS  HA           82 HIS  HB+         2.80    (#    800:20  Preassigned    2.20, 2.66 A)
 &rst
  ixpk= 800, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1229,1230,
 &end
#
#   82 HIS  HA           82 HIS  HB-         2.80    (#    802:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 802, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1229,1230,
 &end
#
#   98 GLU  HN            0 AMB  20-1:803    2.80    (#    803:20  Single Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=1486,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1490,1491,1490,1491,
 &end
#
#   99 MET  HN            0 AMB  20-1:804    2.80    (#    804:20  Single Ambig)
 &rst
  ixpk= 804, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1490,1491,1490,1491,
 &end
#
#   98 GLU  HA            0 AMB  20-1:805    2.80    (#    805:20  Single Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=1488,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1490,1491,1490,1491,
 &end
#
#   98 GLU  HG-           0 AMB  20-1:806    2.80    (#    806:20  Single Ambig)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1493,1494,
 igr2=1490,1491,1490,1491,
 &end
#
#    8 PRO  HD+           7 GLU  HB+         4.50    (#    807:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  94,  95,
 &end
#
#    0 AMB  20-2:808      0 AMB  20-1:808    4.50    (#    808:20  Double Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1471,1472,1868,1869,
 igr2= 535, 536,1313,1314,
 &end
#
#   93 ILE  QG2          97 LYS  HD+         2.80    (#    809:20  Unique         2.56, 4.05 A)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1419,1420,1421,
 igr2=1474,1475,
 &end
#
#   97 LYS  HA           97 LYS  HD+         4.50    (#    810:20  Unique         4.40, 4.52 A)
 &rst
  ixpk= 810, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1474,1475,
 &end
#
#   97 LYS  HE-          97 LYS  HD+         2.80    (#    811:20  Unique         2.48, 2.78 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#    0 AMB  20-2:812      0 AMB  20-1:812    2.80    (#    812:20  Double Ambig)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1468,1469,1468,1469,
 igr2=1474,1475,1474,1475,
 &end
#
#   97 LYS  HG-          97 LYS  HD+         2.80    (#    813:20  Unique         2.41, 2.76 A)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1471,1472,
 igr2=1474,1475,
 &end
#
#   86 PRO  HD-          85 GLN  HB+         3.50    (#    814:20  Unique         2.21, 3.59 A)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1296,1297,
 igr2=1282,1283,
 &end
#
#   64 ARG  HG-          64 ARG  HB-         3.50    (#    815:20  Unique         2.32, 2.77 A)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 963, 964,
 igr2= 960, 961,
 &end
#
#   64 ARG  HA           64 ARG  HB-         4.50    (#    816:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   64 ARG  HN           64 ARG  HB+         4.50    (#    817:20  Unique         2.31, 3.01 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   67 ASP  HN           64 ARG  HB+         4.50    (#    818:20  Unique         2.32, 2.92 A)
 &rst
  ixpk= 818, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   64 ARG  HA           64 ARG  HB+         3.50    (#    819:20  Preassigned    2.44, 2.78 A)
 &rst
  ixpk= 819, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   34 ILE  QG2          34 ILE  HG1+        2.80    (#    821:20  Preassigned    2.60, 3.59 A)
 &rst
  ixpk= 821, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 531, 532, 533,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:822      0 AMB  20-1:822    2.80    (#    822:20  Double Ambig)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 449, 450, 451, 538, 539, 540,
 igr2= 535, 536, 535, 536,
 &end
#
#   61 LYS  HE+          61 LYS  HD+         2.80    (#    823:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 908, 909,
 igr2= 905, 906,
 &end
#
#   37 ALA  MB           61 LYS  HD+         2.80    (#    824:20  Unique         2.19, 3.69 A)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 584, 585, 586,
 igr2= 905, 906,
 &end
#
#   61 LYS  HE+          61 LYS  HD-         2.80    (#    825:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 908, 909,
 igr2= 905, 906,
 &end
#
#   37 ALA  MB           61 LYS  HD-         2.80    (#    826:20  Unique         2.19, 3.69 A)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 584, 585, 586,
 igr2= 905, 906,
 &end
#
#   34 ILE  HA           34 ILE  HG1-        3.50    (#    827:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:829     34 ILE  HG1-        2.80    (#    829:20  Single Ambig)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 449, 450, 451, 538, 539, 540,
 igr2= 535, 536,
 &end
#
#   34 ILE  QG2          34 ILE  HG1-        3.50    (#    830:20  Unique         2.60, 3.59 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 531, 532, 533,
 igr2= 535, 536,
 &end
#
#   73 CYS  HN           72 CYS  HB-         3.50    (#    831:20  Unique         2.07, 3.26 A)
 &rst
  ixpk= 831, nxpk= 20, iat=1083,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1076,1077,
 &end
#
#   16 ILE  QG2          72 CYS  HB-         3.50    (#    833:20  Unique         2.29, 3.13 A)
 &rst
  ixpk= 833, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 233, 234, 235,
 igr2=1076,1077,
 &end
#
#   16 ILE  QG2          72 CYS  HB+         3.50    (#    835:20  Unique         2.29, 3.13 A)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 233, 234, 235,
 igr2=1076,1077,
 &end
#
#   72 CYS  HN           72 CYS  HB+         3.50    (#    836:20  Unique         2.47, 3.11 A)
 &rst
  ixpk= 836, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1076,1077,
 &end
#
#   72 CYS  HA           72 CYS  HB+         3.50    (#    837:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 837, nxpk= 20, iat=1074,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1076,1077,
 &end
#
#   85 GLN  HN           85 GLN  HB+         2.80    (#    838:20  Unique         2.31, 2.98 A)
 &rst
  ixpk= 838, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1282,1283,
 &end
#
#   85 GLN  HA           85 GLN  HB+         2.80    (#    839:20  Unique         2.45, 2.80 A)
 &rst
  ixpk= 839, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1282,1283,
 &end
#
#   66 GLU  HN           66 GLU  HB-         2.80    (#    840:20  Unique         2.68, 3.26 A)
 &rst
  ixpk= 840, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1003,1004,
 &end
#
#   67 ASP  HN           66 GLU  HB-         3.50    (#    841:20  Unique         2.06, 2.99 A)
 &rst
  ixpk= 841, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1003,1004,
 &end
#
#   66 GLU  HA           66 GLU  HB-         2.80    (#    842:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 842, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1003,1004,
 &end
#
#    0 AMB  20-2:843      0 AMB  20-1:843    3.50    (#    843:20  Double Ambig)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1599,1311,
 igr2=1607,1608,1313,1314,
 &end
#
#    0 AMB  20-2:844      0 AMB  20-1:844    2.80    (#    844:20  Double Ambig)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1610,1611,1319,1320,
 igr2=1607,1608,1313,1314,
 &end
#
#    0 AMB  20-2:845     34 ILE  HG1-        2.80    (#    845:20  Single Ambig)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.11, r4= 4.86,
 igr1= 529, 921, 922, 924, 925,
 igr2= 535, 536,
 &end
#
#  102 GLN  HN          102 GLN  HB-         2.80    (#    846:20  Unique         2.45, 3.07 A)
 &rst
  ixpk= 846, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1545,1546,
 &end
#
#  102 GLN  HA          102 GLN  HB-         2.80    (#    847:20  Unique         2.44, 2.75 A)
 &rst
  ixpk= 847, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1545,1546,
 &end
#
#  102 GLN  HG+         102 GLN  HB-         2.80    (#    848:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1548,1549,
 igr2=1545,1546,
 &end
#
#   60 VAL  MGY         102 GLN  HB-         3.50    (#    849:20  Unique         2.86, 5.47 A)
 &rst
  ixpk= 849, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1545,1546,
 &end
#
#    9 LYS  HE+           9 LYS  HD+         2.80    (#    850:20  Unique         2.37, 2.74 A)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 132, 133,
 igr2= 129, 130,
 &end
#
#  103 LYS  HA          103 LYS  HD+         4.50    (#    851:20  Unique         3.80, 4.53 A)
 &rst
  ixpk= 851, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#  103 LYS  HE+         103 LYS  HD+         2.80    (#    852:20  Unique         2.29, 2.74 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1571,1572,
 igr2=1568,1569,
 &end
#
#  103 LYS  HG+         103 LYS  HD+         2.80    (#    853:20  Unique         2.37, 2.72 A)
 &rst
  ixpk= 853, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1565,1566,
 igr2=1568,1569,
 &end
#
#  124 LYS  HA            0 AMB  20-1:854    4.50    (#    854:20  Single Ambig)
 &rst
  ixpk= 854, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1926,1927,1926,1927,
 &end
#
#    0 AMB  20-2:855      0 AMB  20-1:855    2.80    (#    855:20  Double Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1929,1930,1929,1930,1929,1930,
 igr2=1926,1927,1926,1927,1926,1927,
 &end
#
#   10 PRO  HD+           9 LYS  HD-         3.50    (#    858:20  Unique         2.33, 3.31 A)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#   10 PRO  HD-           9 LYS  HD-         2.80    (#    859:20  Unique         2.33, 3.31 A)
 &rst
  ixpk= 859, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:860      9 LYS  HD-         2.80    (#    860:20  Single Ambig)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 123, 124, 148, 149,
 igr2= 129, 130,
 &end
#
#   90 GLU  HN           90 GLU  HB-         2.80    (#    862:20  Unique         2.50, 3.09 A)
 &rst
  ixpk= 862, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1367,1368,
 &end
#
#   91 VAL  HN           90 GLU  HB-         3.50    (#    863:20  Unique         3.75, 3.98 A)
 &rst
  ixpk= 863, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1367,1368,
 &end
#
#   90 GLU  HG+          90 GLU  HB-         2.80    (#    864:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1370,1371,
 igr2=1367,1368,
 &end
#
#   91 VAL  MGX          90 GLU  HB-         4.50    (#    865:20  Unique         4.40, 6.78 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1367,1368,
 &end
#
#   90 GLU  HA           90 GLU  HB-         2.80    (#    866:20  Unique         2.34, 2.42 A)
 &rst
  ixpk= 866, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1367,1368,
 &end
#
#    9 LYS  HA            9 LYS  HD+         4.50    (#    867:20  Unique         2.12, 2.80 A)
 &rst
  ixpk= 867, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 129, 130,
 &end
#
#   29 GLY  HA-           9 LYS  HD+         5.50    (#    868:20  Unique         5.23, 6.37 A)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 464, 465,
 igr2= 129, 130,
 &end
#
#   10 PRO  HD+           9 LYS  HD+         3.50    (#    869:20  Unique         2.33, 3.31 A)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#   10 PRO  HD-           9 LYS  HD+         3.50    (#    870:20  Unique         2.33, 3.31 A)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 142, 143,
 igr2= 129, 130,
 &end
#
#  124 LYS  HG-         121 ARG  HG+         4.50    (#    872:20  Unique         4.51, 5.62 A)
 &rst
  ixpk= 872, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1923,1924,
 igr2=1871,1872,
 &end
#
#   88 PRO  HA           88 PRO  HG+         4.50    (#    873:20  Unique         2.88, 3.94 A)
 &rst
  ixpk= 873, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1337,1338,
 &end
#
#   88 PRO  HD+          88 PRO  HG+         2.80    (#    874:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   88 PRO  HD-          88 PRO  HG+         3.50    (#    875:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 875, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   91 VAL  MGX          88 PRO  HG+         3.50    (#    876:20  Unique         2.36, 4.26 A)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1337,1338,
 &end
#
#   88 PRO  HB-          88 PRO  HG+         2.80    (#    877:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 877, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   88 PRO  HB+          88 PRO  HG+         2.80    (#    878:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   88 PRO  HD-          88 PRO  HG-         3.50    (#    879:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   91 VAL  MGX          88 PRO  HG-         4.50    (#    880:20  Unique         2.36, 4.26 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1337,1338,
 &end
#
#   88 PRO  HA           88 PRO  HG-         3.50    (#    881:20  Unique         2.88, 3.94 A)
 &rst
  ixpk= 881, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1337,1338,
 &end
#
#   93 ILE  HA           93 ILE  HG1+        4.50    (#    882:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 882, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#   93 ILE  HB           93 ILE  HG1+        2.80    (#    883:20  Unique         2.09, 2.73 A)
 &rst
  ixpk= 883, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1423,1424,
 &end
#
#   93 ILE  HN           93 ILE  HG1+        2.80    (#    884:20  Unique         2.46, 3.21 A)
 &rst
  ixpk= 884, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1423,1424,
 &end
#
#   93 ILE  QG2          93 ILE  HG1+        2.80    (#    885:20  Preassigned    2.38, 3.48 A)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1419,1420,1421,
 igr2=1423,1424,
 &end
#
#    0 AMB  20-2:886      0 AMB  20-1:886    2.80    (#    886:20  Double Ambig)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 449, 450, 451,1426,1427,1428,
 igr2=1423,1424,1423,1424,
 &end
#
#   93 ILE  HN           93 ILE  HG1-        3.50    (#    888:20  Unique         2.46, 3.21 A)
 &rst
  ixpk= 888, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1423,1424,
 &end
#
#   93 ILE  HA           93 ILE  HG1-        4.50    (#    889:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 889, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1423,1424,
 &end
#
#   93 ILE  QG2          93 ILE  HG1-        2.80    (#    891:20  Preassigned    2.38, 3.48 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1419,1420,1421,
 igr2=1423,1424,
 &end
#
#    0 AMB  20-2:893     93 ILE  HG1-        2.80    (#    893:20  Single Ambig)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 449, 450, 451,1426,1427,1428,
 igr2=1423,1424,
 &end
#
#   73 CYS  HN           73 CYS  HB+         3.50    (#    894:20  Unique         2.38, 2.94 A)
 &rst
  ixpk= 894, nxpk= 20, iat=1083,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1087,1088,
 &end
#
#   74 TYR  HN           73 CYS  HB+         3.50    (#    895:20  Unique         2.46, 3.46 A)
 &rst
  ixpk= 895, nxpk= 20, iat=1094,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1087,1088,
 &end
#
#   73 CYS  HA           73 CYS  HB+         2.80    (#    896:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 896, nxpk= 20, iat=1085,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1087,1088,
 &end
#
#   17 PHE  HD           73 CYS  HB+         3.50    (#    897:20  Unique         2.49, 4.87 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 254, 262,
 igr2=1087,1088,
 &end
#
#   64 ARG  HN           64 ARG  HG+         3.50    (#    898:20  Unique         2.31, 3.09 A)
 &rst
  ixpk= 898, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 963, 964,
 &end
#
#   64 ARG  HA           64 ARG  HG+         3.50    (#    899:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 899, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 963, 964,
 &end
#
#   64 ARG  HD+          64 ARG  HG+         3.50    (#    900:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 900, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#   64 ARG  HD-          64 ARG  HG+         3.50    (#    901:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 901, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#    0 AMB  20-2:904      0 AMB  20-1:904    2.80    (#    904:20  Double Ambig)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1= 233, 234, 235, 270, 271,
 igr2= 273, 274, 273, 274,
 &end
#
#   62 ARG  HB-          62 ARG  HG-         3.50    (#    905:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 921, 922,
 igr2= 924, 925,
 &end
#
#    0 AMB  20-2:906     62 ARG  HG-         2.80    (#    906:20  Single Ambig)
 &rst
  ixpk= 906, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 927, 928, 492, 493,
 igr2= 924, 925,
 &end
#
#   28 ILE  QD1          62 ARG  HG-         3.50    (#    907:20  Unique         2.54, 4.08 A)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 456, 457, 458,
 igr2= 924, 925,
 &end
#
#   32 TYR  HD           62 ARG  HG+         4.50    (#    909:20  Unique         2.28, 4.68 A)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 505,
 igr2= 924, 925,
 &end
#
#    0 AMB  20-2:910      0 AMB  20-1:910    2.80    (#    910:20  Double Ambig)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 927, 928, 492, 493,
 igr2= 924, 925, 924, 925,
 &end
#
#   62 ARG  HB-          62 ARG  HG+         2.80    (#    911:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 921, 922,
 igr2= 924, 925,
 &end
#
#   64 ARG  HN           64 ARG  HG-         3.50    (#    912:20  Unique         2.31, 3.09 A)
 &rst
  ixpk= 912, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 963, 964,
 &end
#
#   32 TYR  HD           64 ARG  HG-         4.50    (#    913:20  Unique         3.12, 4.48 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 505,
 igr2= 963, 964,
 &end
#
#   64 ARG  HA           64 ARG  HG-         3.50    (#    914:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 914, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 963, 964,
 &end
#
#   64 ARG  HD+          64 ARG  HG-         3.50    (#    915:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#   64 ARG  HD-          64 ARG  HG-         3.50    (#    916:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 966, 967,
 igr2= 963, 964,
 &end
#
#   16 ILE  QG2          16 ILE  HG1-        3.50    (#    919:20  Unique         2.50, 3.56 A)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 233, 234, 235,
 igr2= 237, 238,
 &end
#
#   85 GLN  HA           86 PRO  HG+         4.50    (#    920:20  Unique         4.09, 4.57 A)
 &rst
  ixpk= 920, nxpk= 20, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1299,1300,
 &end
#
#   86 PRO  HA           86 PRO  HG+         3.50    (#    921:20  Preassigned    2.80, 3.63 A)
 &rst
  ixpk= 921, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1299,1300,
 &end
#
#   86 PRO  HD+          86 PRO  HG+         2.80    (#    922:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1296,1297,
 igr2=1299,1300,
 &end
#
#   86 PRO  HB+          86 PRO  HG+         2.80    (#    923:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1302,1303,
 igr2=1299,1300,
 &end
#
#   86 PRO  HD-          86 PRO  HG+         2.80    (#    924:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1296,1297,
 igr2=1299,1300,
 &end
#
#  119 GLN  HN          119 GLN  HB-         2.80    (#    925:20  Unique         2.33, 2.99 A)
 &rst
  ixpk= 925, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1832,1833,
 &end
#
#  120 LEU  HN          119 GLN  HB-         4.50    (#    926:20  Unique         2.93, 3.47 A)
 &rst
  ixpk= 926, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1832,1833,
 &end
#
#  119 GLN  HG-         119 GLN  HB-         2.80    (#    927:20  Unique         2.34, 2.69 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1835,1836,
 igr2=1832,1833,
 &end
#
#  119 GLN  HN          119 GLN  HB+         2.80    (#    928:20  Unique         2.33, 2.99 A)
 &rst
  ixpk= 928, nxpk= 20, iat=1828,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1832,1833,
 &end
#
#  120 LEU  HN          119 GLN  HB+         4.50    (#    929:20  Unique         2.93, 3.47 A)
 &rst
  ixpk= 929, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1832,1833,
 &end
#
#  119 GLN  HA          119 GLN  HB+         2.80    (#    930:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 930, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1832,1833,
 &end
#
#  119 GLN  HG-         119 GLN  HB+         2.80    (#    931:20  Unique         2.34, 2.69 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1835,1836,
 igr2=1832,1833,
 &end
#
#    0 AMB  20-2:932     26 LEU  HG          2.80    (#    932:20  Single Ambig)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 412, 413, 414, 416, 417, 418,1458,1459,1460,
 &end
#
#   43 PRO  HA           43 PRO  HG-         3.50    (#    934:20  Preassigned    2.73, 3.87 A)
 &rst
  ixpk= 934, nxpk= 20, iat= 675,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 669, 670,
 &end
#
#   43 PRO  HD+          43 PRO  HG-         2.80    (#    935:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 666, 667,
 igr2= 669, 670,
 &end
#
#   43 PRO  HD-          43 PRO  HG-         2.80    (#    936:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 666, 667,
 igr2= 669, 670,
 &end
#
#   39 PRO  HA           39 PRO  HG+         4.50    (#    937:20  Unique         2.72, 3.72 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 614,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 608, 609,
 &end
#
#   39 PRO  HB-          39 PRO  HG+         2.80    (#    938:20  Unique         2.32, 2.62 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 611, 612,
 igr2= 608, 609,
 &end
#
#   39 PRO  HD-          39 PRO  HG+         3.50    (#    939:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 605, 606,
 igr2= 608, 609,
 &end
#
#   39 PRO  HD+          39 PRO  HG+         3.50    (#    940:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 605, 606,
 igr2= 608, 609,
 &end
#
#   39 PRO  HA           39 PRO  HG-         4.50    (#    941:20  Unique         2.72, 3.72 A)
 &rst
  ixpk= 941, nxpk= 20, iat= 614,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 608, 609,
 &end
#
#   39 PRO  HD-          39 PRO  HG-         3.50    (#    942:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 605, 606,
 igr2= 608, 609,
 &end
#
#    0 AMB  20-2:944      0 AMB  20-1:944    3.50    (#    944:20  Double Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1311,1699,
 igr2=1316,1317,1704,1705,
 &end
#
#   87 ARG  HD-          87 ARG  HG-         3.50    (#    945:20  Unique         2.28, 2.70 A)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1319,1320,
 igr2=1316,1317,
 &end
#
#  121 ARG  HA           87 ARG  HG-         3.50    (#    948:20  Preassigned    2.83, 4.19 A)
 &rst
  ixpk= 948, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1316,1317,
 &end
#
#   87 ARG  HD-          87 ARG  HG+         4.50    (#    949:20  Unique         2.28, 2.70 A)
 &rst
  ixpk= 949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1319,1320,
 igr2=1316,1317,
 &end
#
#   38 PRO  HD+          38 PRO  HG-         3.50    (#    953:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 591, 592,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:954     38 PRO  HG-         3.50    (#    954:20  Single Ambig)
 &rst
  ixpk= 954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 591, 592, 622, 623,
 igr2= 594, 595,
 &end
#
#   92 ILE  QG2          92 ILE  HG1+        4.50    (#    955:20  Unique         2.50, 3.55 A)
 &rst
  ixpk= 955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1400,1401,1402,
 igr2=1404,1405,
 &end
#
#   92 ILE  HN           92 ILE  HG1+        3.50    (#    956:20  Unique         1.91, 2.58 A)
 &rst
  ixpk= 956, nxpk= 20, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1404,1405,
 &end
#
#    0 AMB  20-2:957      0 AMB  20-1:957    2.80    (#    957:20  Double Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1707,1708,1396,
 igr2=1704,1705,1404,1405,
 &end
#
#    0 AMB  20-2:959      0 AMB  20-1:959    3.50    (#    959:20  Double Ambig)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1311, 292,
 igr2=1316,1317, 297,
 &end
#
#    0 AMB  20-2:960      0 AMB  20-1:960    4.50    (#    960:20  Double Ambig)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 290, 799,
 igr2= 297, 806,
 &end
#
#   23 HIS  HD2          38 PRO  HG+         4.50    (#    961:20  Unique         3.16, 4.69 A)
 &rst
  ixpk= 961, nxpk= 20, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:962      0 AMB  20-1:962    4.50    (#    962:20  Double Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 591, 592, 622, 623,
 igr2= 594, 595, 594, 595,
 &end
#
#   19 LEU  MDY          19 LEU  HG          2.80    (#    963:20  Preassigned    2.38, 2.66 A)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 299, 300, 301, 303, 304, 305,
 &end
#
#    0 AMB  20-2:964      0 AMB  20-1:964    5.50    (#    964:20  Double Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1404,1405,1868,1869,
 igr2=1316,1317,1316,1317,
 &end
#
#   26 LEU  HA           26 LEU  MDY         3.50    (#    965:20  Unique         2.22, 3.42 A)
 &rst
  ixpk= 965, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#    0 AMB  20-2:966     26 LEU  MDY         4.50    (#    966:20  Single Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 407, 408,1398,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   92 ILE  QD1          92 ILE  HG1-        2.80    (#    968:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1407,1408,1409,
 igr2=1404,1405,
 &end
#
#  113 CYS  HA          113 CYS  HB+         3.50    (#    970:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 970, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#   97 LYS  HA           97 LYS  HG+         3.50    (#    971:20  Unique         2.54, 2.71 A)
 &rst
  ixpk= 971, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:973      0 AMB  20-1:973    3.50    (#    973:20  Double Ambig)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2=1471,1472,1471,1472,
 &end
#
#   97 LYS  HN           97 LYS  HG+         2.80    (#    974:20  Unique         2.37, 3.05 A)
 &rst
  ixpk= 974, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1471,1472,
 &end
#
#   80 LEU  HA           80 LEU  HG          3.50    (#    975:20  Unique         3.30, 3.36 A)
 &rst
  ixpk= 975, nxpk= 20, iat=1196,1201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 LEU  HN           80 LEU  HG          3.50    (#    976:20  Unique         2.01, 2.13 A)
 &rst
  ixpk= 976, nxpk= 20, iat=1194,1201, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 LEU  HB-          80 LEU  HG          2.80    (#    977:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,1201, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1198,1199,
 &end
#
#    0 AMB  20-2:978     80 LEU  HG          2.80    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,1201, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#    8 PRO  HA            8 PRO  HG+         3.50    (#    979:20  Unique         2.96, 3.94 A)
 &rst
  ixpk= 979, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 109, 110,
 &end
#
#    8 PRO  HD-           8 PRO  HG+         3.50    (#    980:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#    8 PRO  HD+           8 PRO  HG+         2.80    (#    981:20  Preassigned    2.32, 2.61 A)
 &rst
  ixpk= 981, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#   65 LEU  MDX           0 AMB  20-1:982    4.50    (#    982:20  Single Ambig)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 109, 110, 203, 204,
 &end
#
#    0 AMB  20-2:983      0 AMB  20-1:983    2.80    (#    983:20  Double Ambig)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1= 112, 113, 197,1423,1424,
 igr2= 109, 110, 203, 204, 412, 413, 414, 416, 417, 418,
      
 &end
#
#   14 ILE  QD1          14 ILE  HG1-        2.80    (#    984:20  Preassigned    2.37, 2.66 A)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 206, 207, 208,
 igr2= 203, 204,
 &end
#
#   14 ILE  HN           14 ILE  HG1-        4.50    (#    985:20  Unique         2.50, 3.36 A)
 &rst
  ixpk= 985, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 203, 204,
 &end
#
#   14 ILE  HA           14 ILE  HG1-        5.50    (#    986:20  Unique         2.40, 2.95 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 195,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 203, 204,
 &end
#
#    0 AMB  20-2:987      0 AMB  20-1:987    2.80    (#    987:20  Double Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
 igr1= 112, 113, 515, 516, 517, 519, 520, 521, 112, 113,
      
 igr2= 109, 110, 203, 204,
 &end
#
#   28 ILE  HB           28 ILE  HG1+        3.50    (#    988:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 988, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 453, 454,
 &end
#
#  121 ARG  HD+          13 LEU  MDY         4.50    (#    989:20  Unique         2.50, 5.62 A)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1874,1875,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   78 ASN  HA           13 LEU  MDY         3.50    (#    991:20  Unique         2.19, 4.60 A)
 &rst
  ixpk= 991, nxpk= 20, iat=1171,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#  118 THR  HA           13 LEU  MDY         4.50    (#    992:20  Unique         2.50, 4.33 A)
 &rst
  ixpk= 992, nxpk= 20, iat=1816,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HB-          13 LEU  MDY         2.80    (#    994:20  Unique         2.41, 3.36 A)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 178, 179,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HG           13 LEU  MDY         2.80    (#    995:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 995, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   97 LYS  HA           97 LYS  HG-         3.50    (#    997:20  Unique         2.54, 2.71 A)
 &rst
  ixpk= 997, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:998     97 LYS  HG-         2.80    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1468,1469,1468,1469,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:1000    97 LYS  HG-         3.50    (#   1000:20  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2=1471,1472,
 &end
#
#    8 PRO  HD-           8 PRO  HG-         3.50    (#   1001:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#    0 AMB  20-2:1002     8 PRO  HG-         2.80    (#   1002:20  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
 igr2= 109, 110,
 &end
#
#    8 PRO  HD+           8 PRO  HG-         2.80    (#   1003:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1003, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#    8 PRO  HB-           8 PRO  HG-         2.80    (#   1004:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 112, 113,
 igr2= 109, 110,
 &end
#
#   76 VAL  MGX           8 PRO  HG-         4.50    (#   1006:20  Unique         2.55, 6.24 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 109, 110,
 &end
#
#    8 PRO  HB+           8 PRO  HG-         3.50    (#   1007:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 112, 113,
 igr2= 109, 110,
 &end
#
#   28 ILE  HN           28 ILE  HG1-        4.50    (#   1008:20  Unique         2.15, 2.71 A)
 &rst
  ixpk= 1008, nxpk= 20, iat= 443,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 453, 454,
 &end
#
#    0 AMB  20-2:1009     0 AMB  20-1:1009   4.50    (#   1009:20  Double Ambig)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 426, 427,1477,1478,
 igr2= 203, 204,1471,1472,
 &end
#
#    0 AMB  20-2:1010     0 AMB  20-1:1010   2.80    (#   1010:20  Double Ambig)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995, 199,
       200, 201,
 igr2= 203, 204, 203, 204, 203, 204,
 &end
#
#   65 LEU  HA           65 LEU  HG          3.50    (#   1011:20  Unique         2.60, 3.35 A)
 &rst
  ixpk= 1011, nxpk= 20, iat= 982, 987, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1012    65 LEU  HG          2.80    (#   1012:20  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
      1053,1054, 206, 207, 208,
 &end
#
#   65 LEU  MDX          65 LEU  HG          2.80    (#   1013:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 989, 990, 991, 993, 994, 995,
 &end
#
#   13 LEU  MDY          13 LEU  HG          3.50    (#   1014:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1014, nxpk= 20, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HN           13 LEU  HG          4.50    (#   1016:20  Unique         2.56, 3.09 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 174, 181, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  MDX          13 LEU  HG          3.50    (#   1017:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1, 181, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:1019   120 LEU  HG          4.50    (#   1019:20  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1800,1847,
 &end
#
#  120 LEU  MDY         120 LEU  HG          2.80    (#   1020:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HN          120 LEU  HG          4.50    (#   1021:20  Unique         2.05, 2.25 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=1845,1852, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 PHE  HE          120 LEU  MDY         4.50    (#   1022:20  Unique         2.31, 4.51 A)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1788,1792,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HN          120 LEU  MDY         4.50    (#   1023:20  Unique         3.32, 4.30 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:1024   120 LEU  MDY         2.80    (#   1024:20  Single Ambig)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1800,1456,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HB-         120 LEU  MDY         3.50    (#   1025:20  Unique         2.40, 3.32 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1849,1850,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:1026   120 LEU  MDY         2.80    (#   1026:20  Single Ambig)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1458,1459,1460,1852,1804,1805,1806,1808,1809,1810,
      
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  117 VAL  MGX         120 LEU  MDY         3.50    (#   1027:20  Unique         2.62, 6.67 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:1028   120 LEU  MDY         2.80    (#   1028:20  Single Ambig)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1849,1850, 531, 532, 533,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   26 LEU  MDX         120 LEU  MDY         3.50    (#   1029:20  Unique         2.57, 6.14 A)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HB-          26 LEU  MDX         5.50    (#   1031:20  Unique         2.77, 4.99 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1849,1850,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#    0 AMB  20-2:1033    75 ARG  HG-         2.80    (#   1033:20  Single Ambig)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1119,1120,  77,  78,
 igr2=1122,1123,
 &end
#
#  104 MET  HG+          36 LEU  MDY         5.50    (#   1034:20  Unique         2.26, 4.42 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1587,1588,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:1035    65 LEU  MDY         3.50    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 430, 439,1102,1111,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   74 TYR  HE           65 LEU  MDY         4.50    (#   1036:20  Unique         2.46, 5.47 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1104,1109,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HB-          65 LEU  MDY         2.80    (#   1037:20  Unique         2.40, 3.40 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 984, 985,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#  103 LYS  HN          103 LYS  HG-         3.50    (#   1038:20  Unique         2.70, 3.55 A)
 &rst
  ixpk= 1038, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#  103 LYS  HA          103 LYS  HG-         4.50    (#   1039:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#  103 LYS  HE+         103 LYS  HG-         2.80    (#   1040:20  Unique         2.12, 3.02 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   61 LYS  HE+          61 LYS  HG+         3.50    (#   1041:20  Unique         2.36, 3.25 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 908, 909,
 igr2= 902, 903,
 &end
#
#  103 LYS  HA          103 LYS  HG+         3.50    (#   1042:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1565,1566,
 &end
#
#   59 GLU  HA          103 LYS  HG+         4.50    (#   1043:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 1043, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#  103 LYS  HE+         103 LYS  HG+         3.50    (#   1044:20  Unique         2.12, 3.02 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1571,1572,
 igr2=1565,1566,
 &end
#
#   61 LYS  HA           61 LYS  HG-         2.80    (#   1045:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 1045, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 902, 903,
 &end
#
#   61 LYS  HE+          61 LYS  HG-         3.50    (#   1046:20  Unique         2.36, 3.25 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 908, 909,
 igr2= 902, 903,
 &end
#
#   80 LEU  HG           80 LEU  MDX         2.80    (#   1047:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=1201,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   84 TYR  HE           80 LEU  MDX         3.50    (#   1048:20  Unique         2.19, 5.49 A)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1267,1272,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   84 TYR  HH           80 LEU  MDX         3.50    (#   1049:20  Unique         3.16, 4.95 A)
 &rst
  ixpk= 1049, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#  105 LYS  HA          105 LYS  HG+         4.50    (#   1050:20  Unique         2.43, 3.20 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#  105 LYS  HE+         105 LYS  HG-         4.50    (#   1051:20  Unique         2.42, 3.00 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1610,1611,
 igr2=1604,1605,
 &end
#
#  105 LYS  HA          105 LYS  HG-         4.50    (#   1052:20  Unique         2.43, 3.20 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1604,1605,
 &end
#
#    0 AMB  20-2:1053   105 LYS  HG-         2.80    (#   1053:20  Single Ambig)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1607,1608,1584,1585,
 igr2=1604,1605,
 &end
#
#    0 AMB  20-2:1054    54 LEU  MDY         2.80    (#   1054:20  Single Ambig)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 803, 804, 806,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#    0 AMB  20-2:1059    19 LEU  MDX         2.80    (#   1059:20  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 297, 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#   19 LEU  HB-          19 LEU  MDX         2.80    (#   1060:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#    0 AMB  20-2:1062    65 LEU  MDX         3.50    (#   1062:20  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 430, 439,1102,1111,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   74 TYR  HE           65 LEU  MDX         3.50    (#   1063:20  Unique         2.46, 5.47 A)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1104,1109,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HA           65 LEU  MDX         2.80    (#   1064:20  Unique         2.21, 3.82 A)
 &rst
  ixpk= 1064, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HB-          65 LEU  MDX         3.50    (#   1065:20  Unique         2.40, 3.40 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 984, 985,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:1066    65 LEU  MDX         5.50    (#   1066:20  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 109, 110, 203, 204,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:1067    65 LEU  MDX         2.80    (#   1067:20  Single Ambig)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 987, 984, 985,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   33 VAL  MGX          65 LEU  MDX         2.80    (#   1068:20  Unique         2.23, 5.32 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 515, 516, 517, 519, 520, 521,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    9 LYS  HN            9 LYS  HG+         3.50    (#   1073:20  Unique         2.42, 3.68 A)
 &rst
  ixpk= 1073, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 126, 127,
 &end
#
#    9 LYS  HA            0 AMB  20-1:1074   3.50    (#   1074:20  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 126, 127, 126, 127,
 &end
#
#    9 LYS  HN            0 AMB  20-1:1075   4.50    (#   1075:20  Single Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 126, 127, 126, 127,
 &end
#
#    0 AMB  20-2:1076     0 AMB  20-1:1076   3.50    (#   1076:20  Double Ambig)
 &rst
  ixpk= 1076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 132, 133, 132, 133,
 igr2= 126, 127, 126, 127,
 &end
#
#  101 GLY  HN          100 VAL  MGX         3.50    (#   1078:20  Unique         2.56, 4.07 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1079   100 VAL  MGX         2.80    (#   1079:20  Single Ambig)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1466,1536,1537,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HA          100 VAL  MGX         2.80    (#   1080:20  Unique         2.33, 3.15 A)
 &rst
  ixpk= 1080, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HB          100 VAL  MGX         2.80    (#   1082:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   62 ARG  HB-         100 VAL  MGX         3.50    (#   1083:20  Unique         2.20, 4.02 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 921, 922,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1085   100 VAL  MGX         3.50    (#   1085:20  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1087    19 LEU  MDY         2.80    (#   1087:20  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 297, 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#   26 LEU  HN          117 VAL  MGX         3.50    (#   1088:20  Unique         2.98, 4.80 A)
 &rst
  ixpk= 1088, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   25 ALA  HA          117 VAL  MGX         3.50    (#   1089:20  Unique         2.24, 4.15 A)
 &rst
  ixpk= 1089, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HB          117 VAL  MGX         2.80    (#   1091:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   26 LEU  HB-         117 VAL  MGX         4.50    (#   1092:20  Unique         2.56, 5.10 A)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 407, 408,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  120 LEU  MDY         117 VAL  MGX         4.50    (#   1093:20  Unique         2.62, 6.67 A)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  116 PHE  HD          117 VAL  MGX         2.80    (#   1094:20  Unique         2.24, 5.64 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1786,1794,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  20-2:1095   117 VAL  MGX         2.80    (#   1095:20  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1798,1788,1792,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HA          117 VAL  MGX         2.80    (#   1096:20  Unique         2.35, 3.50 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=1800,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  114 GLU  HA          117 VAL  MGX         5.50    (#   1097:20  Unique         2.11, 4.08 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   26 LEU  MDX         117 VAL  MGX         4.50    (#   1098:20  Unique         3.80, 7.06 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 412, 413, 414, 416, 417, 418,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   97 LYS  HB+         100 VAL  MGX         5.50    (#   1099:20  Preassigned    4.28, 6.86 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1468,1469,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   62 ARG  HB+         100 VAL  MGX         3.50    (#   1100:20  Unique         2.20, 4.02 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 921, 922,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   19 LEU  HB-          19 LEU  MDY         2.80    (#   1101:20  Unique         2.39, 3.35 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 294, 295,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#  104 MET  HG-          36 LEU  MDX         5.50    (#   1103:20  Unique         2.26, 4.42 A)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1587,1588,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   36 LEU  HA           36 LEU  MDX         2.80    (#   1104:20  Unique         2.15, 3.81 A)
 &rst
  ixpk= 1104, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  ME           36 LEU  MDX         5.50    (#   1105:20  Unique         2.70, 5.51 A)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1591,1592,1593,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   36 LEU  HB-          36 LEU  MDX         5.50    (#   1106:20  Unique         2.39, 3.37 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 565, 566,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  HB+          36 LEU  MDX         3.50    (#   1107:20  Unique         2.30, 4.45 A)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1584,1585,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   58 ALA  MB           36 LEU  MDX         2.80    (#   1108:20  Unique         2.31, 4.26 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 858, 859, 860,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:1109    36 LEU  MDX         3.50    (#   1109:20  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1580, 879, 854,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   37 ALA  HN           36 LEU  MDX         3.50    (#   1110:20  Unique         2.33, 4.67 A)
 &rst
  ixpk= 1110, nxpk= 20, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  113 CYS  HA           36 LEU  MDX         5.50    (#   1111:20  Unique         2.13, 4.51 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   60 VAL  HA           36 LEU  MDX         4.50    (#   1112:20  Preassigned    2.36, 4.86 A)
 &rst
  ixpk= 1112, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  104 MET  HG+          36 LEU  MDX         4.50    (#   1113:20  Unique         2.26, 4.42 A)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1587,1588,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  124 LYS  HD-         124 LYS  HG-         2.80    (#   1114:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1926,1927,
 igr2=1923,1924,
 &end
#
#  124 LYS  HB+         124 LYS  HG+         5.50    (#   1116:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1920,1921,
 igr2=1923,1924,
 &end
#
#  124 LYS  HB+         124 LYS  HG-         3.50    (#   1117:20  Unique         2.28, 2.62 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1920,1921,
 igr2=1923,1924,
 &end
#
#  117 VAL  HB           13 LEU  MDX         2.80    (#   1120:20  Unique         2.19, 4.05 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HG           13 LEU  MDX         3.50    (#   1121:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1121, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:1123    54 LEU  MDX         2.80    (#   1123:20  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 803, 804, 806,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   27 TYR  HA           33 VAL  MGX         2.80    (#   1126:20  Unique         2.12, 4.32 A)
 &rst
  ixpk= 1126, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   14 ILE  HG1-         33 VAL  MGX         4.50    (#   1127:20  Unique         2.57, 6.50 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 203, 204,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HB           33 VAL  MGX         2.80    (#   1128:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 513,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:1130    33 VAL  MGX         2.80    (#   1130:20  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 984, 985, 987,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   80 LEU  HA           80 LEU  MDY         2.80    (#   1137:20  Unique         2.31, 3.86 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HG           80 LEU  MDY         2.80    (#   1138:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=1201,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:1144     0 AMB  20-1:1144   2.80    (#   1144:20  Double Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=1349, 548, 549,
 igr2=1353,1354,1355,1357,1358,1359, 397, 398, 399,
 &end
#
#   25 ALA  HA           25 ALA  MB          2.80    (#   1145:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 1145, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 397, 398, 399,
 &end
#
#    0 AMB  20-2:1146    25 ALA  MB          4.50    (#   1146:20  Single Ambig)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2= 397, 398, 399,
 &end
#
#   84 TYR  HE           80 LEU  MDY         3.50    (#   1149:20  Unique         2.19, 5.49 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1267,1272,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:1151    68 VAL  MGY         2.80    (#   1151:20  Single Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 945, 946, 948, 949,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 VAL  HN           68 VAL  MGY         2.80    (#   1152:20  Unique         2.24, 3.92 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 VAL  HA           68 VAL  MGY         2.80    (#   1153:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=1028,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 VAL  HB           68 VAL  MGY         2.80    (#   1154:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#  118 THR  HN          118 THR  MG2         4.50    (#   1155:20  Unique         2.38, 3.67 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=1814,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1820,1821,1822,
 &end
#
#  118 THR  HA          118 THR  MG2         2.80    (#   1156:20  Unique         2.38, 3.11 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=1816,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1820,1821,1822,
 &end
#
#    0 AMB  20-2:1159    58 ALA  MB          2.80    (#   1159:20  Single Ambig)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 854,1580,
 igr2= 858, 859, 860,
 &end
#
#   58 ALA  HA           58 ALA  MB          2.80    (#   1161:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1161, nxpk= 20, iat= 856,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 858, 859, 860,
 &end
#
#   11 GLY  HA+          89 VAL  MGX         3.50    (#   1162:20  Unique         2.15, 4.42 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 157, 158,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:1164     0 AMB  20-1:1164   4.50    (#   1164:20  Double Ambig)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 148, 149, 565, 566, 608, 609,
 igr2=1353,1354,1355,1357,1358,1359, 858, 859, 860,
 &end
#
#   69 VAL  HA           69 VAL  MGY         3.50    (#   1167:20  Unique         2.29, 3.49 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HN           69 VAL  MGY         3.50    (#   1168:20  Unique         2.20, 3.47 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   70 GLY  HN           69 VAL  MGY         4.50    (#   1169:20  Unique         2.48, 4.32 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=1058,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HB           69 VAL  MGY         2.80    (#   1172:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 1172, nxpk= 20, iat=1046,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:1175     0 AMB  20-1:1175   2.80    (#   1175:20  Double Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1001,1847,1447,1448,
 igr2=1048,1049,1050,1052,1053,1054,1854,1855,1856,1858,
      1859,1860,
 &end
#
#   99 MET  HG-         120 LEU  MDX         3.50    (#   1176:20  Unique         2.17, 4.51 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1508,1509,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   99 MET  ME          120 LEU  MDX         4.50    (#   1177:20  Unique         3.17, 5.84 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1512,1513,1514,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HG          120 LEU  MDX         2.80    (#   1178:20  Preassigned    2.38, 2.65 A)
 &rst
  ixpk= 1178, nxpk= 20, iat=1852,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   96 ALA  HN          120 LEU  MDX         4.50    (#   1180:20  Unique         3.20, 4.64 A)
 &rst
  ixpk= 1180, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:1181   120 LEU  MDX         7.00    (#   1181:20  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1505,1506,1802,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:1182   120 LEU  MDX         3.50    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1849,1850, 531, 532, 533,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  104 MET  HG+          60 VAL  MGY         3.50    (#   1184:20  Unique         2.49, 5.95 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1587,1588,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   69 VAL  HN           68 VAL  MGY         5.50    (#   1185:20  Unique         3.33, 4.62 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:1190   118 THR  MG2         5.50    (#   1190:20  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1828,1183,
 igr2=1820,1821,1822,
 &end
#
#  118 THR  HB          118 THR  MG2         2.80    (#   1191:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1820,1821,1822,
 &end
#
#   59 GLU  HN           58 ALA  MB          2.80    (#   1192:20  Unique         2.55, 3.55 A)
 &rst
  ixpk= 1192, nxpk= 20, iat= 864,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 858, 859, 860,
 &end
#
#   92 ILE  HN           91 VAL  MGX         4.50    (#   1194:20  Unique         3.73, 4.77 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   72 CYS  HN           69 VAL  MGY         4.50    (#   1196:20  Unique         3.36, 5.55 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HD           69 VAL  MGY         2.80    (#   1197:20  Unique         2.19, 4.93 A)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1102,1111,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#  100 VAL  HN           60 VAL  MGY         4.50    (#   1198:20  Unique         3.07, 4.72 A)
 &rst
  ixpk= 1198, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   61 LYS  HN           60 VAL  MGY         4.50    (#   1199:20  Unique         2.88, 4.31 A)
 &rst
  ixpk= 1199, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  HN           60 VAL  MGY         2.80    (#   1200:20  Unique         2.30, 3.95 A)
 &rst
  ixpk= 1200, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:1201    60 VAL  MGY         4.50    (#   1201:20  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1541, 864,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   60 VAL  HA           60 VAL  MGY         3.50    (#   1203:20  Unique         2.48, 3.15 A)
 &rst
  ixpk= 1203, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:1204    60 VAL  MGY         2.80    (#   1204:20  Single Ambig)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1505,1506, 883,1587,1588,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   99 MET  ME           60 VAL  MGY         2.80    (#   1205:20  Preassigned    2.62, 5.50 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1512,1513,1514,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#  104 MET  ME           60 VAL  MGY         3.50    (#   1206:20  Unique         2.40, 5.23 A)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1591,1592,1593,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   34 ILE  QG2          60 VAL  MGY         5.50    (#   1207:20  Unique         2.40, 4.85 A)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 531, 532, 533,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   90 GLU  HG+          91 VAL  MGX         3.50    (#   1209:20  Unique         2.36, 5.00 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1370,1371,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   91 VAL  HA           91 VAL  MGX         2.80    (#   1211:20  Unique         2.43, 3.15 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=1380,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   88 PRO  HD-          91 VAL  MGX         3.50    (#   1212:20  Unique         4.23, 5.79 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1334,1335,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#    0 AMB  20-2:1213    91 VAL  MGX         2.80    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1337,1338,1382,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   62 ARG  HB-         100 VAL  MGY         3.50    (#   1214:20  Unique         2.20, 4.02 A)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 921, 922,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   61 LYS  HA          100 VAL  MGY         2.80    (#   1215:20  Unique         2.30, 3.85 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HA          100 VAL  MGY         2.80    (#   1216:20  Unique         2.33, 3.15 A)
 &rst
  ixpk= 1216, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HB          100 VAL  MGY         2.80    (#   1217:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 1217, nxpk= 20, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   76 VAL  HA           76 VAL  MGX         3.50    (#   1220:20  Unique         2.36, 3.19 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HA           76 VAL  MGX         2.80    (#   1221:20  Unique         2.23, 3.82 A)
 &rst
  ixpk= 1221, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:1224    76 VAL  MGX         2.80    (#   1224:20  Single Ambig)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1143,  77,  78,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HB-          76 VAL  MGX         3.50    (#   1225:20  Unique         2.36, 4.53 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 112, 113,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   69 VAL  HN           69 VAL  MGX         2.80    (#   1226:20  Unique         2.20, 3.47 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HD           69 VAL  MGX         3.50    (#   1227:20  Unique         2.19, 4.93 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1102,1111,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   74 TYR  HE           69 VAL  MGX         3.50    (#   1228:20  Unique         2.66, 5.32 A)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1104,1109,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   66 GLU  HA           69 VAL  MGX         4.50    (#   1229:20  Unique         2.17, 4.28 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#  109 VAL  HA          109 VAL  MGX         2.80    (#   1231:20  Unique         2.35, 3.41 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=1672,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1676,1677,1678,1680,1681,1682,
 &end
#
#   65 LEU  HG           69 VAL  MGX         5.50    (#   1237:20  Unique         2.87, 4.72 A)
 &rst
  ixpk= 1237, nxpk= 20, iat= 987,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HA           69 VAL  MGX         2.80    (#   1238:20  Unique         2.29, 3.49 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#  117 VAL  HN          117 VAL  MGY         2.80    (#   1240:20  Preassigned    2.22, 3.26 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=1798,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   24 TRP  HB+         117 VAL  MGY         2.80    (#   1241:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 373, 374,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   68 VAL  HB           68 VAL  MGX         2.80    (#   1244:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 VAL  HN           68 VAL  MGX         4.50    (#   1246:20  Unique         2.24, 3.92 A)
 &rst
  ixpk= 1246, nxpk= 20, iat=1026,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 VAL  HA           68 VAL  MGX         2.80    (#   1248:20  Unique         2.34, 3.15 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=1028,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#  118 THR  HN          117 VAL  MGY         3.50    (#   1249:20  Unique         2.61, 4.33 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=1814,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   24 TRP  HD1         117 VAL  MGY         3.50    (#   1250:20  Unique         3.09, 5.32 A)
 &rst
  ixpk= 1250, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HA          117 VAL  MGY         3.50    (#   1251:20  Unique         2.35, 3.50 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=1800,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  114 GLU  HA          117 VAL  MGY         2.80    (#   1252:20  Unique         2.11, 4.08 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   24 TRP  HB-         117 VAL  MGY         3.50    (#   1253:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 373, 374,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  HB          117 VAL  MGY         2.80    (#   1254:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   13 LEU  MDX         117 VAL  MGY         2.80    (#   1255:20  Unique         2.27, 5.52 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   76 VAL  HA           76 VAL  MGY         2.80    (#   1256:20  Unique         2.36, 3.19 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   12 ASP  HB-          76 VAL  MGY         3.50    (#   1257:20  Unique         2.27, 4.14 A)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 166, 167,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   12 ASP  HB+          76 VAL  MGY         2.80    (#   1258:20  Unique         2.27, 4.14 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 166, 167,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   78 ASN  HD2+         76 VAL  MGY         3.50    (#   1264:20  Unique         3.15, 5.62 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1178,1179,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:1265    76 VAL  MGY         3.50    (#   1265:20  Single Ambig)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1143,  77,  78,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   53 VAL  HA           53 VAL  MGY         3.50    (#   1266:20  Unique         2.39, 3.42 A)
 &rst
  ixpk= 1266, nxpk= 20, iat= 785,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 789, 790, 791, 793, 794, 795,
 &end
#
#   49 SER  HB+          50 VAL  MGY         4.50    (#   1273:20  Unique         3.71, 6.68 A)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 729, 730,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#    0 AMB  20-2:1275    50 VAL  MGY         2.80    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 669, 670, 740,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   97 LYS  HN           96 ALA  MB          2.80    (#   1279:20  Unique         2.45, 3.32 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1458,1459,1460,
 &end
#
#   96 ALA  HN           96 ALA  MB          2.80    (#   1280:20  Unique         2.26, 2.79 A)
 &rst
  ixpk= 1280, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1458,1459,1460,
 &end
#
#   93 ILE  HA           96 ALA  MB          2.80    (#   1281:20  Unique         2.50, 3.26 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1458,1459,1460,
 &end
#
#    0 AMB  20-2:1282    96 ALA  MB          2.80    (#   1282:20  Single Ambig)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2=1458,1459,1460,
 &end
#
#    0 AMB  20-2:1283    96 ALA  MB          2.80    (#   1283:20  Single Ambig)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 igr2=1458,1459,1460,
 &end
#
#  120 LEU  MDY          96 ALA  MB          2.80    (#   1284:20  Unique         2.23, 4.52 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1458,1459,1460,
 &end
#
#   45 ALA  HA           45 ALA  MB          2.80    (#   1285:20  Unique         2.41, 2.67 A)
 &rst
  ixpk= 1285, nxpk= 20, iat= 688,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 690, 691, 692,
 &end
#
#   37 ALA  HN           37 ALA  MB          2.80    (#   1288:20  Unique         2.40, 2.93 A)
 &rst
  ixpk= 1288, nxpk= 20, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 584, 585, 586,
 &end
#
#   37 ALA  HA           37 ALA  MB          2.80    (#   1289:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 1289, nxpk= 20, iat= 582,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 584, 585, 586,
 &end
#
#   38 PRO  HD+          37 ALA  MB          4.50    (#   1290:20  Unique         2.52, 4.27 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 591, 592,
 igr2= 584, 585, 586,
 &end
#
#    0 AMB  20-2:1291    37 ALA  MB          4.50    (#   1291:20  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 905, 906, 899, 900,
 igr2= 584, 585, 586,
 &end
#
#   33 VAL  HN           33 VAL  MGY         2.80    (#   1294:20  Unique         2.39, 3.59 A)
 &rst
  ixpk= 1294, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:1295    33 VAL  MGY         5.50    (#   1295:20  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 525, 544,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   63 GLU  HN           33 VAL  MGY         4.50    (#   1296:20  Unique         2.91, 5.05 A)
 &rst
  ixpk= 1296, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HB           33 VAL  MGY         2.80    (#   1297:20  Unique         2.37, 2.64 A)
 &rst
  ixpk= 1297, nxpk= 20, iat= 513,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   25 ALA  MB           33 VAL  MGY         2.80    (#   1298:20  Unique         2.64, 4.37 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 397, 398, 399,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   68 VAL  HB           33 VAL  MGY         3.50    (#   1300:20  Unique         2.56, 4.40 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   72 CYS  HB+          16 ILE  QG2         2.80    (#   1301:20  Unique         2.29, 3.13 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1076,1077,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  20-2:1302    16 ILE  QG2         3.50    (#   1302:20  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1098,1099, 356, 357,
 igr2= 233, 234, 235,
 &end
#
#   16 ILE  HB           16 ILE  QG2         2.80    (#   1303:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 231,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  20-2:1304    16 ILE  QG2         2.80    (#   1304:20  Single Ambig)
 &rst
  ixpk= 1304, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.28, r4= 6.03,
 igr1= 240, 241, 242,1048,1049,1050,1052,1053,1054,1032,
      1033,1034,1036,1037,1038,
 igr2= 233, 234, 235,
 &end
#
#   28 ILE  HB           28 ILE  QG2         2.80    (#   1306:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1306, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 449, 450, 451,
 &end
#
#   34 ILE  HG1+         28 ILE  QG2         2.80    (#   1307:20  Unique         2.31, 4.11 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 535, 536,
 igr2= 449, 450, 451,
 &end
#
#   93 ILE  HG1-         28 ILE  QG2         3.50    (#   1308:20  Unique         2.20, 4.22 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1423,1424,
 igr2= 449, 450, 451,
 &end
#
#  121 ARG  HA           92 ILE  QG2         2.80    (#   1312:20  Unique         2.66, 3.81 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  20-2:1313    92 ILE  QG2         2.80    (#   1313:20  Single Ambig)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 157, 158,1396,
 igr2=1400,1401,1402,
 &end
#
#   92 ILE  HB           92 ILE  QG2         2.80    (#   1314:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1400,1401,1402,
 &end
#
#   92 ILE  HG1+         92 ILE  QG2         3.50    (#   1316:20  Unique         2.50, 3.55 A)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1404,1405,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  20-2:1317    92 ILE  QG2         3.50    (#   1317:20  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1868,1869,1458,1459,1460,
 igr2=1400,1401,1402,
 &end
#
#   92 ILE  HG1-         92 ILE  QG2         2.80    (#   1318:20  Unique         2.50, 3.55 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1400,1401,1402,
 &end
#
#  116 PHE  HD          104 MET  ME          3.50    (#   1320:20  Unique         2.25, 5.08 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1786,1794,
 igr2=1591,1592,1593,
 &end
#
#    0 AMB  20-2:1321   104 MET  ME          3.50    (#   1321:20  Single Ambig)
 &rst
  ixpk= 1321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1788,1792,1730,1731,
 igr2=1591,1592,1593,
 &end
#
#   60 VAL  MGY         104 MET  ME          2.80    (#   1322:20  Unique         2.40, 5.23 A)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1591,1592,1593,
 &end
#
#   93 ILE  HA           93 ILE  QG2         2.80    (#   1323:20  Unique         2.81, 3.41 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1419,1420,1421,
 &end
#
#   93 ILE  HB           93 ILE  QG2         2.80    (#   1324:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1324, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1419,1420,1421,
 &end
#
#    0 AMB  20-2:1325    93 ILE  QG2         2.80    (#   1325:20  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1423,1424,1474,1475,
 igr2=1419,1420,1421,
 &end
#
#   35 HIS  HN           34 ILE  QG2         4.50    (#   1329:20  Unique         2.60, 3.41 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 544,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 531, 532, 533,
 &end
#
#    0 AMB  20-2:1330    34 ILE  QG2         2.80    (#   1330:20  Single Ambig)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1788,1792,1518,
 igr2= 531, 532, 533,
 &end
#
#   34 ILE  HB           34 ILE  QG2         2.80    (#   1331:20  Unique         2.44, 2.70 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 529,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 531, 532, 533,
 &end
#
#   93 ILE  HG1-         93 ILE  QG2         2.80    (#   1332:20  Unique         2.38, 3.48 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1423,1424,
 igr2=1419,1420,1421,
 &end
#
#    0 AMB  20-2:1333    14 ILE  QG2         4.50    (#   1333:20  Single Ambig)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1= 397, 398, 399, 109, 110,
 igr2= 199, 200, 201,
 &end
#
#   15 GLU  HN           14 ILE  QG2         3.50    (#   1334:20  Unique         2.56, 3.38 A)
 &rst
  ixpk= 1334, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 199, 200, 201,
 &end
#
#   14 ILE  HA           14 ILE  QG2         2.80    (#   1335:20  Unique         2.46, 3.13 A)
 &rst
  ixpk= 1335, nxpk= 20, iat= 195,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 199, 200, 201,
 &end
#
#   74 TYR  HB+          14 ILE  QG2         2.80    (#   1336:20  Unique         2.61, 3.74 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1098,1099,
 igr2= 199, 200, 201,
 &end
#
#   14 ILE  HB           14 ILE  QG2         2.80    (#   1337:20  Unique         2.44, 2.68 A)
 &rst
  ixpk= 1337, nxpk= 20, iat= 197,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 199, 200, 201,
 &end
#
#    0 AMB  20-2:1338    14 ILE  QG2         2.80    (#   1338:20  Single Ambig)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 237, 238, 203, 204,
 igr2= 199, 200, 201,
 &end
#
#   14 ILE  HG1+         14 ILE  QG2         2.80    (#   1339:20  Unique         2.42, 3.58 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 203, 204,
 igr2= 199, 200, 201,
 &end
#
#   74 TYR  HD           14 ILE  QG2         2.80    (#   1340:20  Unique         2.16, 4.60 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1102,1111,
 igr2= 199, 200, 201,
 &end
#
#   16 ILE  HN           16 ILE  QD1         4.50    (#   1342:20  Unique         3.99, 4.88 A)
 &rst
  ixpk= 1342, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 240, 241, 242,
 &end
#
#   69 VAL  HA           16 ILE  QD1         4.50    (#   1344:20  Unique         2.49, 4.14 A)
 &rst
  ixpk= 1344, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 240, 241, 242,
 &end
#
#   23 HIS  HB+          16 ILE  QD1         3.50    (#   1345:20  Unique         2.59, 4.90 A)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 356, 357,
 igr2= 240, 241, 242,
 &end
#
#   16 ILE  HB           16 ILE  QD1         2.80    (#   1346:20  Unique         2.44, 3.16 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 231,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 240, 241, 242,
 &end
#
#   16 ILE  HG1+         16 ILE  QD1         2.80    (#   1347:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 237, 238,
 igr2= 240, 241, 242,
 &end
#
#   25 ALA  MB           16 ILE  QD1         2.80    (#   1348:20  Unique         2.88, 4.32 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 397, 398, 399,
 igr2= 240, 241, 242,
 &end
#
#   16 ILE  QG2          16 ILE  QD1         2.80    (#   1349:20  Unique         2.22, 3.77 A)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 233, 234, 235,
 igr2= 240, 241, 242,
 &end
#
#  121 ARG  HA           92 ILE  QD1         3.50    (#   1353:20  Preassigned    2.95, 4.15 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1407,1408,1409,
 &end
#
#   89 VAL  HA           92 ILE  QD1         2.80    (#   1354:20  Unique         2.16, 3.12 A)
 &rst
  ixpk= 1354, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:1355    92 ILE  QD1         4.50    (#   1355:20  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1309,1413,
 igr2=1407,1408,1409,
 &end
#
#   92 ILE  HN           92 ILE  QD1         3.50    (#   1356:20  Unique         3.93, 4.33 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1407,1408,1409,
 &end
#
#   11 GLY  HA+          92 ILE  QD1         5.50    (#   1357:20  Unique         2.58, 4.45 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 157, 158,
 igr2=1407,1408,1409,
 &end
#
#   11 GLY  HA-          92 ILE  QD1         3.50    (#   1358:20  Unique         2.58, 4.45 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 157, 158,
 igr2=1407,1408,1409,
 &end
#
#   92 ILE  HB           92 ILE  QD1         2.80    (#   1359:20  Unique         2.38, 3.11 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:1360    92 ILE  QD1         2.80    (#   1360:20  Single Ambig)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1313,1314,1404,1405,
 igr2=1407,1408,1409,
 &end
#
#  121 ARG  HG+          92 ILE  QD1         3.50    (#   1361:20  Unique         2.26, 4.10 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1871,1872,
 igr2=1407,1408,1409,
 &end
#
#  121 ARG  HG-          92 ILE  QD1         4.50    (#   1362:20  Unique         2.26, 4.10 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1871,1872,
 igr2=1407,1408,1409,
 &end
#
#   62 ARG  HA           34 ILE  QD1         4.50    (#   1363:20  Unique         2.36, 5.10 A)
 &rst
  ixpk= 1363, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 538, 539, 540,
 &end
#
#   97 LYS  HN           34 ILE  QD1         4.50    (#   1364:20  Unique         3.46, 3.82 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:1365    34 ILE  QD1         4.50    (#   1365:20  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 927, 928,1477,1478,
 igr2= 538, 539, 540,
 &end
#
#  100 VAL  MGX          34 ILE  QD1         2.80    (#   1366:20  Unique         2.21, 4.84 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 538, 539, 540,
 &end
#
#   34 ILE  HA           34 ILE  QD1         4.50    (#   1367:20  Unique         2.40, 4.49 A)
 &rst
  ixpk= 1367, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 538, 539, 540,
 &end
#
#   97 LYS  HA           34 ILE  QD1         2.80    (#   1368:20  Unique         2.46, 3.14 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=1466,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 538, 539, 540,
 &end
#
#  100 VAL  HB           34 ILE  QD1         4.50    (#   1369:20  Unique         2.33, 4.66 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=1522,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:1370    34 ILE  QD1         4.50    (#   1370:20  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1468,1469,1468,1469,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:1371    34 ILE  QD1         2.80    (#   1371:20  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 535, 536,1471,1472,
 igr2= 538, 539, 540,
 &end
#
#   96 ALA  MB           34 ILE  QD1         4.50    (#   1372:20  Unique         2.32, 3.74 A)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1458,1459,1460,
 igr2= 538, 539, 540,
 &end
#
#   97 LYS  HG-          34 ILE  QD1         2.80    (#   1373:20  Unique         2.75, 3.34 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1471,1472,
 igr2= 538, 539, 540,
 &end
#
#    0 AMB  20-2:1374    28 ILE  QD1         2.80    (#   1374:20  Single Ambig)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 927, 928, 492, 493,1477,1478,
 igr2= 456, 457, 458,
 &end
#
#   32 TYR  HB+          28 ILE  QD1         4.50    (#   1375:20  Unique         2.44, 3.64 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 492, 493,
 igr2= 456, 457, 458,
 &end
#
#   28 ILE  HB           28 ILE  QD1         2.80    (#   1376:20  Unique         2.44, 3.10 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 456, 457, 458,
 &end
#
#   34 ILE  HG1+         28 ILE  QD1         2.80    (#   1377:20  Unique         2.31, 4.04 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 535, 536,
 igr2= 456, 457, 458,
 &end
#
#   62 ARG  HG-          28 ILE  QD1         2.80    (#   1378:20  Unique         2.54, 4.08 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 924, 925,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:1379    28 ILE  QD1         2.80    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 453, 454, 924, 925,
 igr2= 456, 457, 458,
 &end
#
#   34 ILE  HG1-         28 ILE  QD1         2.80    (#   1380:20  Unique         2.31, 4.04 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 535, 536,
 igr2= 456, 457, 458,
 &end
#
#   11 GLY  HN           93 ILE  QD1         3.50    (#   1382:20  Unique         2.29, 3.61 A)
 &rst
  ixpk= 1382, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1426,1427,1428,
 &end
#
#   10 PRO  HA           93 ILE  QD1         4.50    (#   1383:20  Unique         2.91, 3.89 A)
 &rst
  ixpk= 1383, nxpk= 20, iat= 151,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1426,1427,1428,
 &end
#
#   93 ILE  HN           93 ILE  QD1         3.50    (#   1384:20  Unique         2.23, 4.15 A)
 &rst
  ixpk= 1384, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1426,1427,1428,
 &end
#
#   28 ILE  HA           93 ILE  QD1         2.80    (#   1385:20  Unique         2.48, 3.26 A)
 &rst
  ixpk= 1385, nxpk= 20, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1426,1427,1428,
 &end
#
#   90 GLU  HA           93 ILE  QD1         5.50    (#   1386:20  Unique         3.23, 4.60 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1426,1427,1428,
 &end
#
#   93 ILE  HA           93 ILE  QD1         4.50    (#   1387:20  Unique         2.23, 4.26 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=1415,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1426,1427,1428,
 &end
#
#   28 ILE  HB           93 ILE  QD1         3.50    (#   1388:20  Preassigned    3.05, 4.23 A)
 &rst
  ixpk= 1388, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1426,1427,1428,
 &end
#
#    0 AMB  20-2:1389    93 ILE  QD1         2.80    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 148, 149,1398,
 igr2=1426,1427,1428,
 &end
#
#   93 ILE  HG1+         93 ILE  QD1         2.80    (#   1390:20  Unique         2.33, 2.64 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1423,1424,
 igr2=1426,1427,1428,
 &end
#
#   93 ILE  HG1-         93 ILE  QD1         2.80    (#   1391:20  Unique         2.33, 2.64 A)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1423,1424,
 igr2=1426,1427,1428,
 &end
#
#   76 VAL  MGX          14 ILE  QD1         3.50    (#   1393:20  Unique         2.29, 5.85 A)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 206, 207, 208,
 &end
#
#   74 TYR  HE           14 ILE  QD1         5.50    (#   1394:20  Unique         3.19, 6.65 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1104,1109,
 igr2= 206, 207, 208,
 &end
#
#   14 ILE  HA           14 ILE  QD1         4.50    (#   1395:20  Unique         2.38, 4.43 A)
 &rst
  ixpk= 1395, nxpk= 20, iat= 195,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 206, 207, 208,
 &end
#
#   27 TYR  HB+          14 ILE  QD1         4.50    (#   1396:20  Unique         2.19, 3.69 A)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 426, 427,
 igr2= 206, 207, 208,
 &end
#
#   27 TYR  HB-          14 ILE  QD1         3.50    (#   1397:20  Unique         2.19, 3.69 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 426, 427,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:1398    14 ILE  QD1         2.80    (#   1398:20  Single Ambig)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 112, 113, 197,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:1400    14 ILE  QD1         2.80    (#   1400:20  Single Ambig)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 109, 110, 203, 204,
 igr2= 206, 207, 208,
 &end
#
#   14 ILE  HG1+         14 ILE  QD1         2.80    (#   1401:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 203, 204,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:1402    14 ILE  QD1         3.50    (#   1402:20  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 430, 439,1102,1111,
 igr2= 206, 207, 208,
 &end
#
#   62 ARG  HA           34 ILE  HA          2.80    (#   1403:20  Unique         2.31, 2.38 A)
 &rst
  ixpk= 1403, nxpk= 20, iat= 919, 527, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ILE  QD1          34 ILE  HA          4.50    (#   1404:20  Unique         2.40, 4.49 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 538, 539, 540,
 &end
#
#   34 ILE  QG2          34 ILE  HA          2.80    (#   1405:20  Unique         2.60, 3.29 A)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 531, 532, 533,
 &end
#
#   34 ILE  HG1-         34 ILE  HA          2.80    (#   1406:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 535, 536,
 &end
#
#    0 AMB  20-2:1407    34 ILE  HA          3.50    (#   1407:20  Single Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 529, 924, 925, 921, 922,
 &end
#
#   34 ILE  HG1+         34 ILE  HA          4.50    (#   1408:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#    0 AMB  20-2:1409    34 ILE  HA          2.80    (#   1409:20  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 544, 525,
 &end
#
#    0 AMB  20-2:1410    33 VAL  HA          3.50    (#   1410:20  Single Ambig)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
 &end
#
#   33 VAL  HB           33 VAL  HA          2.80    (#   1411:20  Unique         2.45, 2.52 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 513, 511, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 VAL  MGY          33 VAL  HA          3.50    (#   1412:20  Unique         2.36, 3.51 A)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:1413    33 VAL  HA          5.50    (#   1413:20  Single Ambig)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 535, 536, 397, 398, 399,
 &end
#
#   28 ILE  HG1+         33 VAL  HA          5.50    (#   1414:20  Unique         2.86, 3.90 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 453, 454,
 &end
#
#    0 AMB  20-2:1416    33 VAL  HA          4.50    (#   1416:20  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 456, 457, 458, 412, 413, 414, 416, 417, 418,
 &end
#
#   27 TYR  HA           33 VAL  HA          3.50    (#   1417:20  Unique         2.19, 2.30 A)
 &rst
  ixpk= 1417, nxpk= 20, iat= 424, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 ILE  HN           33 VAL  HA          3.50    (#   1418:20  Unique         2.63, 2.74 A)
 &rst
  ixpk= 1418, nxpk= 20, iat= 443, 511, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 ILE  HN           33 VAL  HA          2.80    (#   1419:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 1419, nxpk= 20, iat= 525, 511, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 VAL  HN           33 VAL  HA          4.50    (#   1420:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 509, 511, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  HN          119 GLN  HA          5.50    (#   1421:20  Unique         3.50, 3.55 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=1845,1830, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HB-         114 GLU  HA          3.50    (#   1422:20  Unique         2.34, 2.99 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 373, 374,
 &end
#
#   74 TYR  HB+          74 TYR  HA          2.80    (#   1423:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1098,1099,
 &end
#
#   24 TRP  HB-          24 TRP  HA          4.50    (#   1424:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 373, 374,
 &end
#
#   24 TRP  HB+          24 TRP  HA          2.80    (#   1425:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 373, 374,
 &end
#
#   16 ILE  HA           74 TYR  HA          2.80    (#   1426:20  Unique         2.26, 2.38 A)
 &rst
  ixpk= 1426, nxpk= 20, iat= 229,1096, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   63 GLU  HN           62 ARG  HA          2.80    (#   1427:20  Unique         2.28, 2.31 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 941, 919, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ILE  QD1          62 ARG  HA          4.50    (#   1428:20  Preassigned    2.36, 5.10 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 538, 539, 540,
 &end
#
#   34 ILE  HG1-         62 ARG  HA          4.50    (#   1429:20  Unique         2.49, 3.16 A)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 536,
 &end
#
#   62 ARG  HG+          62 ARG  HA          3.50    (#   1430:20  Unique         2.52, 2.90 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 924, 925,
 &end
#
#    0 AMB  20-2:1431    62 ARG  HA          2.80    (#   1431:20  Single Ambig)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 921, 922, 924, 925,
 &end
#
#   34 ILE  HG1+         62 ARG  HA          5.50    (#   1432:20  Unique         2.49, 3.16 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 535, 536,
 &end
#
#   62 ARG  HB-          62 ARG  HA          3.50    (#   1433:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 921, 922,
 &end
#
#   23 HIS  HB-          23 HIS  HA          3.50    (#   1434:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 356, 357,
 &end
#
#   23 HIS  HB+          23 HIS  HA          3.50    (#   1435:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1, 354, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 356, 357,
 &end
#
#   24 TRP  HN           23 HIS  HA          2.80    (#   1436:20  Unique         2.19, 2.42 A)
 &rst
  ixpk= 1436, nxpk= 20, iat= 369, 354, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 ARG  HN           62 ARG  HA          4.50    (#   1438:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 1438, nxpk= 20, iat= 917, 919, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1439   103 LYS  HA          3.50    (#   1439:20  Single Ambig)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,1560, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1580, 879,
 &end
#
#    0 AMB  20-2:1440    59 GLU  HA          2.80    (#   1440:20  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 879,1580,
 &end
#
#   14 ILE  HN           13 LEU  HA          2.80    (#   1441:20  Unique         2.07, 2.15 A)
 &rst
  ixpk= 1441, nxpk= 20, iat= 193, 176, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:1442   103 LYS  HA          2.80    (#   1442:20  Single Ambig)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,1560, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1562,1563, 868, 869, 868, 869,
 &end
#
#   59 GLU  HA          103 LYS  HA          2.80    (#   1444:20  Unique         2.07, 2.17 A)
 &rst
  ixpk= 1444, nxpk= 20, iat= 866,1560, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 LEU  HB+          26 LEU  HA          2.80    (#   1445:20  Preassigned    2.48, 2.83 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 407, 408,
 &end
#
#   26 LEU  MDX          26 LEU  HA          3.50    (#   1446:20  Unique         2.22, 3.42 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 412, 413, 414, 416, 417, 418,
 &end
#
#   27 TYR  HN           26 LEU  HA          2.80    (#   1447:20  Unique         2.20, 2.22 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 422, 405, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 LEU  HA           26 LEU  HB-         4.50    (#   1448:20  Unique         2.48, 2.83 A)
 &rst
  ixpk= 1448, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 407, 408,
 &end
#
#  117 VAL  HB           26 LEU  HB+         5.50    (#   1449:20  Unique         2.66, 3.82 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 407, 408,
 &end
#
#   29 GLY  HN           31 GLY  HA+         5.50    (#   1450:20  Unique         5.25, 6.01 A)
 &rst
  ixpk= 1450, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   29 GLY  HN           31 GLY  HA-         5.50    (#   1451:20  Unique         5.25, 6.01 A)
 &rst
  ixpk= 1451, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   11 GLY  HN           11 GLY  HA-         3.50    (#   1452:20  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1452, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 157, 158,
 &end
#
#   31 GLY  HN           31 GLY  HA+         3.50    (#   1453:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 1453, nxpk= 20, iat= 481,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 483, 484,
 &end
#
#   72 CYS  HN           72 CYS  HB-         4.50    (#   1454:20  Unique         2.47, 3.11 A)
 &rst
  ixpk= 1454, nxpk= 20, iat=1072,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1076,1077,
 &end
#
#   73 CYS  HN           72 CYS  HB+         5.50    (#   1455:20  Unique         2.07, 3.26 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=1083,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1076,1077,
 &end
#
#   24 TRP  HA           24 TRP  HB+         5.50    (#   1456:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 1456, nxpk= 20, iat= 371,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 373, 374,
 &end
#
#   24 TRP  HD1          24 TRP  HB+         4.50    (#   1457:20  Unique         2.53, 3.15 A)
 &rst
  ixpk= 1457, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 373, 374,
 &end
#
#   25 ALA  HN           24 TRP  HB+         5.50    (#   1458:20  Unique         2.42, 3.36 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 373, 374,
 &end
#
#   78 ASN  HN           78 ASN  HB-         4.50    (#   1459:20  Unique         2.35, 3.01 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=1169,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1173,1174,
 &end
#
#   78 ASN  HA           78 ASN  HB+         3.50    (#   1460:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1460, nxpk= 20, iat=1171,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1173,1174,
 &end
#
#    0 AMB  20-2:1461   116 PHE  HB-         4.50    (#   1461:20  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1798,1730,1731,
 igr2=1782,1783,
 &end
#
#   66 GLU  HN           65 LEU  HB+         5.50    (#   1462:20  Unique         2.32, 3.16 A)
 &rst
  ixpk= 1462, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 984, 985,
 &end
#
#   11 GLY  HN           11 GLY  HA+         3.50    (#   1463:20  Unique         2.32, 2.66 A)
 &rst
  ixpk= 1463, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 157, 158,
 &end
#
#   25 ALA  HN           24 TRP  HA          2.80    (#   1465:20  Unique         2.15, 2.25 A)
 &rst
  ixpk= 1465, nxpk= 20, iat= 393, 371, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 ARG  HN           74 TYR  HA          2.80    (#   1466:20  Unique         2.23, 2.34 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=1115,1096, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:1467    15 GLU  HA          3.50    (#   1467:20  Single Ambig)
 &rst
  ixpk= 1467, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 216, 217, 237, 238,
 &end
#
#   74 TYR  HD           74 TYR  HA          4.50    (#   1468:20  Unique         4.06, 4.24 A)
 &rst
  ixpk= 1468, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1102,1111,
 &end
#
#   17 PHE  HD           74 TYR  HA          4.50    (#   1469:20  Unique         2.33, 4.61 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 254, 262,
 &end
#
#   17 PHE  HN           74 TYR  HA          5.50    (#   1470:20  Unique         2.76, 3.07 A)
 &rst
  ixpk= 1470, nxpk= 20, iat= 246,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 TYR  HN           74 TYR  HA          5.50    (#   1471:20  Unique         2.89, 2.91 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=1094,1096, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1472    64 ARG  HA          2.80    (#   1472:20  Single Ambig)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 956, 509,
 &end
#
#    0 AMB  20-2:1473   118 THR  HB          5.50    (#   1473:20  Single Ambig)
 &rst
  ixpk= 1473, nxpk= 20, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#    0 AMB  20-2:1474   118 THR  HB          5.50    (#   1474:20  Single Ambig)
 &rst
  ixpk= 1474, nxpk= 20, iat=  -1,1818, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1804,1805,1806,1808,1809,1810,1852,
 &end
#
#  119 GLN  HN          118 THR  HB          4.50    (#   1475:20  Unique         2.48, 3.21 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=1828,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 THR  HN          118 THR  HB          4.50    (#   1476:20  Unique         2.23, 3.24 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=1814,1818, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   88 PRO  HA           89 VAL  HA          5.50    (#   1477:20  Unique         4.36, 4.40 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=1343,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ILE  HN           89 VAL  HA          4.50    (#   1478:20  Unique         3.86, 3.98 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=1413,1349, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 GLU  HN           89 VAL  HA          5.50    (#   1479:20  Unique         3.52, 3.56 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=1363,1349, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  MDX         118 THR  HA          5.50    (#   1480:20  Unique         2.50, 4.33 A)
 &rst
  ixpk= 1480, nxpk= 20, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:1481   118 THR  HA          4.50    (#   1481:20  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=1868,1869,1804,1805,1806,1808,1809,1810, 412, 413,
       414, 416, 417, 418,
 &end
#
#  121 ARG  HN          118 THR  HA          7.00    (#   1482:20  Unique         3.39, 3.69 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=1864,1816, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:1483   118 THR  HA          5.50    (#   1483:20  Single Ambig)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1,1816, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1828,1888,
 &end
#
#  118 THR  HN          118 THR  HA          4.50    (#   1484:20  Unique         2.82, 2.89 A)
 &rst
  ixpk= 1484, nxpk= 20, iat=1814,1816, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HN           92 ILE  HA          5.50    (#   1485:20  Unique         3.54, 3.59 A)
 &rst
  ixpk= 1485, nxpk= 20, iat=1413,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 ALA  HN           92 ILE  HA          5.50    (#   1486:20  Unique         4.05, 4.13 A)
 &rst
  ixpk= 1486, nxpk= 20, iat=1454,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 SER  HB+          92 ILE  HA          4.50    (#   1488:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1447,1448,
 &end
#
#   92 ILE  HB           92 ILE  HA          4.50    (#   1489:20  Unique         3.05, 3.06 A)
 &rst
  ixpk= 1489, nxpk= 20, iat=1398,1396, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HG1+         92 ILE  HA          4.50    (#   1490:20  Unique         2.63, 2.98 A)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#   92 ILE  HG1-         92 ILE  HA          3.50    (#   1491:20  Unique         2.63, 2.98 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#    0 AMB  20-2:1492    92 ILE  HA          3.50    (#   1492:20  Single Ambig)
 &rst
  ixpk= 1492, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,
 &end
#
#    0 AMB  20-2:1493    92 ILE  HA          5.50    (#   1493:20  Single Ambig)
 &rst
  ixpk= 1493, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 &end
#
#   60 VAL  MGY         100 VAL  HA          5.50    (#   1494:20  Unique         2.12, 3.85 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  20-2:1495   100 VAL  HA          5.50    (#   1495:20  Single Ambig)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1536,1537,1503,
 &end
#
#   70 GLY  HN           69 VAL  HA          5.50    (#   1496:20  Unique         3.34, 3.50 A)
 &rst
  ixpk= 1496, nxpk= 20, iat=1058,1044, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  MDX          93 ILE  HA          3.50    (#   1497:20  Unique         2.55, 5.01 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 412, 413, 414, 416, 417, 418,
 &end
#
#   93 ILE  HG1+         93 ILE  HA          3.50    (#   1498:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#   68 VAL  HB           68 VAL  HA          3.50    (#   1499:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=1030,1028, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HN           68 VAL  HA          2.80    (#   1500:20  Unique         2.83, 2.85 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=1026,1028, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 SER  HN           93 ILE  HA          5.50    (#   1501:20  Unique         3.56, 3.58 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=1432,1415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 ALA  HN           93 ILE  HA          4.50    (#   1502:20  Unique         3.19, 3.29 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=1454,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HN           68 VAL  HA          5.50    (#   1503:20  Unique         3.57, 3.63 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=1042,1028, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LEU  MDY         117 VAL  HA          2.80    (#   1504:20  Unique         2.31, 3.98 A)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDX         117 VAL  HA          7.00    (#   1505:20  Unique         2.31, 3.98 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HN          117 VAL  HA          3.50    (#   1506:20  Unique         3.04, 3.28 A)
 &rst
  ixpk= 1506, nxpk= 20, iat=1845,1800, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1507   117 VAL  HA          3.50    (#   1507:20  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,1800, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1798,1788,1792,
 &end
#
#   12 ASP  HN           10 PRO  HA          5.50    (#   1508:20  Unique         3.44, 3.66 A)
 &rst
  ixpk= 1508, nxpk= 20, iat= 162, 151, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HD           10 PRO  HA          3.50    (#   1509:20  Unique         2.51, 4.71 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 430, 439,
 &end
#
#    9 LYS  HD-          10 PRO  HA          5.50    (#   1510:20  Unique         4.46, 6.08 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 129, 130,
 &end
#
#   10 PRO  HB-          10 PRO  HA          3.50    (#   1511:20  Unique         2.26, 2.67 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 148, 149,
 &end
#
#    0 AMB  20-2:1512    10 PRO  HA          5.50    (#   1512:20  Single Ambig)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 129, 130, 123, 124,
 &end
#
#   93 ILE  QD1          10 PRO  HA          2.80    (#   1513:20  Unique         2.91, 3.89 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1426,1427,1428,
 &end
#
#   43 PRO  HD+          43 PRO  HA          3.50    (#   1515:20  Unique         3.47, 3.81 A)
 &rst
  ixpk= 1515, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 666, 667,
 &end
#
#   89 VAL  MGX          88 PRO  HA          5.50    (#   1516:20  Unique         3.94, 5.87 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,1343, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#    8 PRO  HG-           8 PRO  HA          7.00    (#   1517:20  Unique         2.96, 3.94 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 109, 110,
 &end
#
#    0 AMB  20-2:1518     8 PRO  HA          5.50    (#   1518:20  Single Ambig)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 126, 127, 126, 127,
 &end
#
#   39 PRO  HB-          39 PRO  HA          2.80    (#   1519:20  Unique         2.28, 2.59 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 611, 612,
 &end
#
#    0 AMB  20-2:1520     8 PRO  HA          5.50    (#   1520:20  Single Ambig)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1, 115, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
 &end
#
#   98 GLU  HG+          95 SER  HA          5.50    (#   1521:20  Unique         3.71, 4.20 A)
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1493,1494,
 &end
#
#   98 GLU  HG-          95 SER  HA          5.50    (#   1522:20  Unique         3.71, 4.20 A)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1493,1494,
 &end
#
#   98 GLU  HN           95 SER  HA          5.50    (#   1523:20  Unique         3.37, 3.48 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=1486,1445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 PHE  HB-         116 PHE  HA          2.80    (#   1524:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1782,1783,
 &end
#
#  116 PHE  HB+         116 PHE  HA          3.50    (#   1525:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1782,1783,
 &end
#
#    0 AMB  20-2:1526   116 PHE  HA          5.50    (#   1526:20  Single Ambig)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1832,1833,1591,1592,1593,
 &end
#
#    0 AMB  20-2:1527   116 PHE  HA          4.50    (#   1527:20  Single Ambig)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,1780, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1774,1798,1730,1731,
 &end
#
#  116 PHE  HN          116 PHE  HA          4.50    (#   1528:20  Unique         2.80, 2.84 A)
 &rst
  ixpk= 1528, nxpk= 20, iat=1778,1780, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 GLN  HN          116 PHE  HA          5.50    (#   1529:20  Unique         3.51, 3.92 A)
 &rst
  ixpk= 1529, nxpk= 20, iat=1828,1780, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 ILE  HG1-         16 ILE  HA          3.50    (#   1530:20  Unique         2.51, 2.90 A)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 237, 238,
 &end
#
#   16 ILE  QG2          16 ILE  HA          2.80    (#   1531:20  Unique         2.47, 3.10 A)
 &rst
  ixpk= 1531, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 233, 234, 235,
 &end
#
#   16 ILE  HG1+         16 ILE  HA          7.00    (#   1532:20  Unique         2.51, 2.90 A)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 237, 238,
 &end
#
#   74 TYR  HB+          16 ILE  HA          4.50    (#   1533:20  Unique         2.61, 2.91 A)
 &rst
  ixpk= 1533, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1098,1099,
 &end
#
#   74 TYR  HB-          16 ILE  HA          3.50    (#   1534:20  Unique         2.61, 2.91 A)
 &rst
  ixpk= 1534, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1098,1099,
 &end
#
#   73 CYS  HN           72 CYS  HA          2.80    (#   1535:20  Unique         2.25, 2.34 A)
 &rst
  ixpk= 1535, nxpk= 20, iat=1083,1074, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   72 CYS  HN           72 CYS  HA          3.50    (#   1536:20  Unique         2.89, 2.95 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=1072,1074, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 CYS  HB-          72 CYS  HA          2.80    (#   1537:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1537, nxpk= 20, iat=  -1,1074, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1076,1077,
 &end
#
#   72 CYS  HB+          72 CYS  HA          2.80    (#   1538:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,1074, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1076,1077,
 &end
#
#   74 TYR  HN           73 CYS  HA          2.80    (#   1539:20  Unique         2.33, 2.41 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=1094,1085, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 CYS  HB+          73 CYS  HA          2.80    (#   1540:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,1085, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1087,1088,
 &end
#
#   93 ILE  HG1-         90 GLU  HA          5.50    (#   1544:20  Unique         3.10, 4.83 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1423,1424,
 &end
#
#   93 ILE  HG1+         90 GLU  HA          5.50    (#   1545:20  Unique         3.10, 4.83 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1423,1424,
 &end
#
#   94 SER  HN           90 GLU  HA          5.50    (#   1546:20  Unique         3.80, 3.91 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=1432,1365, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ILE  HN           90 GLU  HA          4.50    (#   1547:20  Unique         3.59, 3.65 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=1413,1365, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HA           90 GLU  HA          7.00    (#   1548:20  Unique         5.52, 5.62 A)
 &rst
  ixpk= 1548, nxpk= 20, iat=1415,1365, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   35 HIS  HD2          34 ILE  HA          4.50    (#   1549:20  Unique         2.59, 2.73 A)
 &rst
  ixpk= 1549, nxpk= 20, iat= 557, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLU  HN           34 ILE  HA          4.50    (#   1550:20  Unique         3.64, 3.76 A)
 &rst
  ixpk= 1550, nxpk= 20, iat= 941, 527, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HG1+        121 ARG  HA          4.50    (#   1551:20  Unique         2.28, 3.39 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1404,1405,
 &end
#
#   68 VAL  HB           65 LEU  HA          3.50    (#   1552:20  Unique         2.36, 2.55 A)
 &rst
  ixpk= 1552, nxpk= 20, iat=1030, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 LEU  HB-          65 LEU  HA          3.50    (#   1553:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 984, 985,
 &end
#
#  114 GLU  HB-         114 GLU  HA          3.50    (#   1554:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1750,1751,
 &end
#
#  121 ARG  HN          121 ARG  HA          4.50    (#   1555:20  Unique         2.95, 2.98 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=1864,1866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 TYR  HD          119 GLN  HA          3.50    (#   1556:20  Unique         3.19, 4.73 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1896,1905,
 &end
#
#   68 VAL  HN           65 LEU  HA          5.50    (#   1557:20  Unique         3.38, 3.60 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=1026, 982, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 LEU  HN           65 LEU  HA          3.50    (#   1558:20  Unique         2.74, 2.77 A)
 &rst
  ixpk= 1558, nxpk= 20, iat= 980, 982, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HN           65 LEU  HA          7.00    (#   1559:20  Unique         3.57, 3.60 A)
 &rst
  ixpk= 1559, nxpk= 20, iat= 999, 982, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  114 GLU  HN          114 GLU  HA          5.50    (#   1561:20  Unique         2.84, 2.89 A)
 &rst
  ixpk= 1561, nxpk= 20, iat=1746,1748, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1562     0 AMB  20-1:1562   4.50    (#   1562:20  Double Ambig)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 818,1761,
 igr2= 820,1763,
 &end
#
#   92 ILE  QG2         120 LEU  HA          5.50    (#   1563:20  Preassigned    4.24, 5.33 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1400,1401,1402,
 &end
#
#  120 LEU  MDY         120 LEU  HA          5.50    (#   1564:20  Unique         2.21, 3.84 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,1847, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HN          120 LEU  HA          3.50    (#   1566:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=1845,1847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 LYS  HG+         105 LYS  HA          4.50    (#   1567:20  Unique         2.43, 3.20 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1604,1605,
 &end
#
#    0 AMB  20-2:1568     0 AMB  20-1:1568   4.50    (#   1568:20  Double Ambig)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1604,1605,1750,1751,
 igr2=1599,1699,
 &end
#
#  105 LYS  HN          105 LYS  HA          5.50    (#   1569:20  Unique         2.83, 2.90 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=1597,1599, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 ALA  HN          105 LYS  HA          7.00    (#   1570:20  Unique         3.25, 4.09 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 854,1599, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   84 TYR  HN           83 GLU  HA          4.50    (#   1571:20  Unique         3.54, 3.56 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=1257,1244, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1572    64 ARG  HA          5.50    (#   1572:20  Single Ambig)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 515, 516, 517, 519, 520, 521,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   65 LEU  HB+          64 ARG  HA          7.00    (#   1573:20  Unique         4.34, 4.54 A)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 984, 985,
 &end
#
#   64 ARG  HG+          64 ARG  HA          3.50    (#   1574:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 963, 964,
 &end
#
#   32 TYR  HD           64 ARG  HA          4.50    (#   1575:20  Unique         2.99, 4.24 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 496, 505,
 &end
#
#   42 TYR  HN           41 GLU  HA          3.50    (#   1576:20  Unique         2.08, 2.68 A)
 &rst
  ixpk= 1576, nxpk= 20, iat= 644, 631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 ALA  MB           24 TRP  HA          4.50    (#   1577:20  Unique         4.13, 4.75 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 397, 398, 399,
 &end
#
#    0 AMB  20-2:1578    24 TRP  HA          5.50    (#   1578:20  Single Ambig)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 237, 238,1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  20-2:1579    24 TRP  HA          7.00    (#   1579:20  Single Ambig)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1, 371, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 231, 178, 179,
 &end
#
#   24 TRP  HD1          24 TRP  HA          5.50    (#   1580:20  Unique         3.17, 3.29 A)
 &rst
  ixpk= 1580, nxpk= 20, iat= 377, 371, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 ILE  QG2          74 TYR  HA          4.50    (#   1581:20  Unique         4.25, 5.01 A)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 199, 200, 201,
 &end
#
#   16 ILE  QG2          74 TYR  HA          5.50    (#   1582:20  Unique         3.73, 4.93 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  20-2:1583    96 ALA  HA          5.50    (#   1583:20  Single Ambig)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 &end
#
#   34 ILE  QG2          96 ALA  HA          4.50    (#   1584:20  Unique         2.80, 3.85 A)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 531, 532, 533,
 &end
#
#   99 MET  HB-          96 ALA  HA          4.50    (#   1585:20  Unique         2.64, 3.53 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1505,1506,
 &end
#
#   99 MET  HG+          96 ALA  HA          7.00    (#   1586:20  Unique         3.62, 3.97 A)
 &rst
  ixpk= 1586, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1508,1509,
 &end
#
#   99 MET  HG-          96 ALA  HA          7.00    (#   1587:20  Unique         3.62, 3.97 A)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,1456, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1508,1509,
 &end
#
#   97 LYS  HN           96 ALA  HA          5.50    (#   1588:20  Unique         3.60, 3.61 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=1464,1456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 MET  HN           96 ALA  HA          5.50    (#   1589:20  Unique         3.50, 3.53 A)
 &rst
  ixpk= 1589, nxpk= 20, iat=1501,1456, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  124 LYS  HN          124 LYS  HA          4.50    (#   1591:20  Unique         2.28, 2.78 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=1916,1918, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1592   124 LYS  HA          5.50    (#   1592:20  Single Ambig)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1382,1337,1338,
 &end
#
#  124 LYS  HG-         124 LYS  HA          5.50    (#   1593:20  Unique         2.60, 3.97 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1923,1924,
 &end
#
#   76 VAL  MGX           6 GLN  HA          5.50    (#   1594:20  Unique         4.53, 7.15 A)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  75, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#  103 LYS  HN          103 LYS  HA          4.50    (#   1595:20  Unique         2.97, 2.98 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=1558,1560, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  103 LYS  HG+         103 LYS  HA          4.50    (#   1596:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,1560, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1565,1566,
 &end
#
#  103 LYS  HG-         103 LYS  HA          5.50    (#   1597:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,1560, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1565,1566,
 &end
#
#   34 ILE  QG2          62 ARG  HA          7.00    (#   1599:20  Unique         4.08, 5.02 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 531, 532, 533,
 &end
#
#    0 AMB  20-2:1601    62 ARG  HA          7.00    (#   1601:20  Single Ambig)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 927, 928, 492, 493,
 &end
#
#    0 AMB  20-2:1602    62 ARG  HA          4.50    (#   1602:20  Single Ambig)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1, 919, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 544, 525,
 &end
#
#    0 AMB  20-2:1603    15 GLU  HA          7.00    (#   1603:20  Single Ambig)
 &rst
  ixpk= 1603, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 231,1122,1123, 178, 179,
 &end
#
#   15 GLU  HG+          15 GLU  HA          3.50    (#   1604:20  Unique         2.46, 3.08 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 219, 220,
 &end
#
#   15 GLU  HB-          15 GLU  HA          4.50    (#   1605:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 1605, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 216, 217,
 &end
#
#    8 PRO  HG+           7 GLU  HA          5.50    (#   1606:20  Unique         4.30, 4.51 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 109, 110,
 &end
#
#    7 GLU  HG+           7 GLU  HA          5.50    (#   1607:20  Unique         2.29, 2.89 A)
 &rst
  ixpk= 1607, nxpk= 20, iat=  -1,  92, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  97,  98,
 &end
#
#   59 GLU  HG+          59 GLU  HA          2.80    (#   1608:20  Unique         2.35, 2.72 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 871, 872,
 &end
#
#   59 GLU  HB+          59 GLU  HA          2.80    (#   1609:20  Unique         2.41, 2.79 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 868, 869,
 &end
#
#   13 LEU  MDY          13 LEU  HA          4.50    (#   1610:20  Unique         2.09, 3.79 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#  103 LYS  HA           59 GLU  HA          2.80    (#   1611:20  Unique         2.07, 2.17 A)
 &rst
  ixpk= 1611, nxpk= 20, iat=1560, 866, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   26 LEU  HA           13 LEU  HA          4.50    (#   1612:20  Unique         2.84, 2.93 A)
 &rst
  ixpk= 1612, nxpk= 20, iat= 405, 176, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HN           59 GLU  HA          4.50    (#   1613:20  Unique         2.96, 2.99 A)
 &rst
  ixpk= 1613, nxpk= 20, iat= 864, 866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  MDY          36 LEU  HA          5.50    (#   1614:20  Unique         2.15, 3.81 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:1615    36 LEU  HA          3.50    (#   1615:20  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 565, 566, 885, 886, 887, 889, 890, 891,
 &end
#
#   36 LEU  HG           36 LEU  HA          5.50    (#   1616:20  Unique         2.52, 3.24 A)
 &rst
  ixpk= 1616, nxpk= 20, iat= 568, 563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 LEU  HB-          36 LEU  HA          5.50    (#   1617:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 565, 566,
 &end
#
#   61 LYS  HN           36 LEU  HA          4.50    (#   1618:20  Unique         3.11, 3.31 A)
 &rst
  ixpk= 1618, nxpk= 20, iat= 895, 563, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  MDX          26 LEU  HA          5.50    (#   1619:20  Unique         2.69, 5.28 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=  -1, 405, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HA           26 LEU  HA          5.50    (#   1620:20  Unique         2.84, 2.93 A)
 &rst
  ixpk= 1620, nxpk= 20, iat= 176, 405, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   14 ILE  HN           26 LEU  HA          7.00    (#   1621:20  Unique         3.69, 3.76 A)
 &rst
  ixpk= 1621, nxpk= 20, iat= 193, 405, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:1622    58 ALA  HA          5.50    (#   1622:20  Single Ambig)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 868, 869,1584,1585,1562,1563, 597, 598,
 &end
#
#   39 PRO  HD-          58 ALA  HA          5.50    (#   1623:20  Unique         2.19, 4.34 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 605, 606,
 &end
#
#   38 PRO  HA           58 ALA  HA          5.50    (#   1624:20  Unique         3.17, 4.09 A)
 &rst
  ixpk= 1624, nxpk= 20, iat= 600, 856, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   85 GLN  HG+          86 PRO  HD-         4.50    (#   1625:20  Unique         3.91, 4.83 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1285,1286,
 igr2=1296,1297,
 &end
#
#   85 GLN  HG+          86 PRO  HD+         5.50    (#   1626:20  Unique         3.91, 4.83 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1296,1297,
 &end
#
#   86 PRO  HB+          86 PRO  HD+         4.50    (#   1627:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1302,1303,
 igr2=1296,1297,
 &end
#
#   86 PRO  HB-          86 PRO  HD+         5.50    (#   1628:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1302,1303,
 igr2=1296,1297,
 &end
#
#   86 PRO  HB-          86 PRO  HD-         5.50    (#   1629:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1302,1303,
 igr2=1296,1297,
 &end
#
#   86 PRO  HB+          86 PRO  HD-         7.00    (#   1630:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1302,1303,
 igr2=1296,1297,
 &end
#
#   81 ASP  HA           86 PRO  HD+         5.50    (#   1631:20  Unique         4.56, 6.20 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=1215,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1296,1297,
 &end
#
#   81 ASP  HA           86 PRO  HD-         7.00    (#   1632:20  Unique         4.56, 6.20 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=1215,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1296,1297,
 &end
#
#    0 AMB  20-2:1633     0 AMB  20-1:1633   7.00    (#   1633:20  Double Ambig)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1278,1309,
 igr2=1296,1297,1296,1297,
 &end
#
#   85 GLN  HN           86 PRO  HD-         7.00    (#   1634:20  Unique         4.82, 5.08 A)
 &rst
  ixpk= 1634, nxpk= 20, iat=1278,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1296,1297,
 &end
#
#   42 TYR  HB+          43 PRO  HD+         7.00    (#   1635:20  Unique         2.19, 3.94 A)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 648, 649,
 igr2= 666, 667,
 &end
#
#   43 PRO  HB-          43 PRO  HD+         4.50    (#   1637:20  Unique         2.77, 3.67 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 672, 673,
 igr2= 666, 667,
 &end
#
#   42 TYR  HD           43 PRO  HD-         4.50    (#   1639:20  Unique         2.39, 4.66 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 652, 661,
 igr2= 666, 667,
 &end
#
#   43 PRO  HB-          43 PRO  HD-         7.00    (#   1640:20  Unique         2.77, 3.67 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 672, 673,
 igr2= 666, 667,
 &end
#
#    0 AMB  20-2:1641     0 AMB  20-1:1641   5.50    (#   1641:20  Double Ambig)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 126, 127, 126, 127,
 igr2= 142, 143, 142, 143,
 &end
#
#   29 GLY  HN           10 PRO  HD+         5.50    (#   1642:20  Unique         4.13, 5.40 A)
 &rst
  ixpk= 1642, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:1643     8 PRO  HD-         5.50    (#   1643:20  Single Ambig)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
 igr2= 106, 107,
 &end
#
#   76 VAL  MGX           8 PRO  HD-         7.00    (#   1644:20  Unique         2.91, 6.06 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 106, 107,
 &end
#
#    7 GLU  HG+           8 PRO  HD-         3.50    (#   1645:20  Unique         2.33, 3.98 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  97,  98,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:1646     0 AMB  20-1:1646   5.50    (#   1646:20  Double Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 989, 990, 991, 993, 994, 995, 206, 207, 208,
 igr2= 106, 107, 106, 107,
 &end
#
#    8 PRO  HB+           8 PRO  HD+         5.50    (#   1647:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 112, 113,
 igr2= 106, 107,
 &end
#
#    8 PRO  HB-           8 PRO  HD+         7.00    (#   1648:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 112, 113,
 igr2= 106, 107,
 &end
#
#    7 GLU  HG+           8 PRO  HD+         4.50    (#   1649:20  Unique         2.33, 3.98 A)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  97,  98,
 igr2= 106, 107,
 &end
#
#    8 PRO  HA            8 PRO  HD+         5.50    (#   1650:20  Unique         3.57, 3.85 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 106, 107,
 &end
#
#   91 VAL  MGX          88 PRO  HD+         4.50    (#   1651:20  Unique         4.23, 5.79 A)
 &rst
  ixpk= 1651, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1334,1335,
 &end
#
#   91 VAL  MGY          88 PRO  HD+         7.00    (#   1652:20  Unique         4.23, 5.79 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1334,1335,
 &end
#
#   88 PRO  HG-          88 PRO  HD+         2.80    (#   1654:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1337,1338,
 igr2=1334,1335,
 &end
#
#   88 PRO  HB-          88 PRO  HD+         5.50    (#   1655:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#  121 ARG  HG+          88 PRO  HD-         5.50    (#   1656:20  Unique         5.90, 7.15 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1871,1872,
 igr2=1334,1335,
 &end
#
#   91 VAL  MGY          88 PRO  HD-         4.50    (#   1657:20  Unique         4.23, 5.79 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1384,1385,1386,1388,1389,1390,
 igr2=1334,1335,
 &end
#
#   88 PRO  HB-          88 PRO  HD-         5.50    (#   1658:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#   37 ALA  HN           37 ALA  HA          4.50    (#   1659:20  Unique         2.87, 2.95 A)
 &rst
  ixpk= 1659, nxpk= 20, iat= 580, 582, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1660     0 AMB  20-1:1660   3.50    (#   1660:20  Double Ambig)
 &rst
  ixpk= 1660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 316,1916,
 igr2= 311, 312,1911,1912,
 &end
#
#   20 GLY  HN           20 GLY  HA+         3.50    (#   1662:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 1662, nxpk= 20, iat= 309,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 311, 312,
 &end
#
#   32 TYR  HN           31 GLY  HA+         5.50    (#   1663:20  Unique         3.16, 3.32 A)
 &rst
  ixpk= 1663, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   19 LEU  HG           20 GLY  HA+         7.00    (#   1664:20  Unique         3.67, 5.62 A)
 &rst
  ixpk= 1664, nxpk= 20, iat= 297,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 311, 312,
 &end
#
#  120 LEU  MDY          26 LEU  HB-         7.00    (#   1667:20  Unique         2.19, 4.75 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2= 407, 408,
 &end
#
#    0 AMB  20-2:1668    26 LEU  HB-         7.00    (#   1668:20  Single Ambig)
 &rst
  ixpk= 1668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.27, r4=11.02,
 igr1= 535, 536, 397, 398, 399,
 igr2= 407, 408,
 &end
#
#  117 VAL  HB           26 LEU  HB-         7.00    (#   1669:20  Unique         2.66, 3.82 A)
 &rst
  ixpk= 1669, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 407, 408,
 &end
#
#   13 LEU  MDX          26 LEU  HB+         5.50    (#   1670:20  Unique         3.33, 6.49 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 407, 408,
 &end
#
#   26 LEU  HG           11 GLY  HA-         5.50    (#   1671:20  Unique         4.38, 5.57 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:1672    11 GLY  HA-         3.50    (#   1672:20  Single Ambig)
 &rst
  ixpk= 1672, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1353,1354,1355,1357,1358,1359,1407,1408,1409,
 igr2= 157, 158,
 &end
#
#   89 VAL  MGX          11 GLY  HA-         5.50    (#   1673:20  Unique         2.15, 4.42 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:1674    11 GLY  HA-         5.50    (#   1674:20  Single Ambig)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 151,1866,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:1675     0 AMB  20-1:1675   5.50    (#   1675:20  Double Ambig)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 162,1413,
 igr2= 157, 158, 157, 158,
 &end
#
#   89 VAL  MGX          11 GLY  HA+         4.50    (#   1676:20  Unique         2.15, 4.42 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:1677     0 AMB  20-1:1677   3.50    (#   1677:20  Double Ambig)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1353,1354,1355,1357,1358,1359,1407,1408,1409,
 igr2= 157, 158, 157, 158,
 &end
#
#   26 LEU  HG           11 GLY  HA+         7.00    (#   1678:20  Unique         4.38, 5.57 A)
 &rst
  ixpk= 1678, nxpk= 20, iat= 410,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 157, 158,
 &end
#
#  100 VAL  MGY         101 GLY  HA-         5.50    (#   1679:20  Unique         3.66, 5.63 A)
 &rst
  ixpk= 1679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2=1536,1537,
 &end
#
#  100 VAL  HA          101 GLY  HA-         5.50    (#   1680:20  Unique         4.35, 4.42 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1536,1537,
 &end
#
#  102 GLN  HN          101 GLY  HA+         4.50    (#   1681:20  Unique         3.20, 3.36 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=1541,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1536,1537,
 &end
#
#  100 VAL  HA          101 GLY  HA+         5.50    (#   1682:20  Unique         4.35, 4.42 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1536,1537,
 &end
#
#   59 GLU  HG+         101 GLY  HA+         4.50    (#   1683:20  Unique         3.25, 4.62 A)
 &rst
  ixpk= 1683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 871, 872,
 igr2=1536,1537,
 &end
#
#   60 VAL  HB          101 GLY  HA+         5.50    (#   1684:20  Unique         4.74, 5.03 A)
 &rst
  ixpk= 1684, nxpk= 20, iat= 883,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1536,1537,
 &end
#
#  100 VAL  MGY         101 GLY  HA+         4.50    (#   1685:20  Unique         3.66, 5.63 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2=1536,1537,
 &end
#
#    0 AMB  20-2:1687     0 AMB  20-1:1687   4.50    (#   1687:20  Double Ambig)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 129, 130, 123, 124,
 igr2= 464, 465, 464, 465,
 &end
#
#    9 LYS  HD-          29 GLY  HA+         5.50    (#   1688:20  Unique         5.23, 6.37 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 129, 130,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:1689    18 ARG  HD-         4.50    (#   1689:20  Single Ambig)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 270, 271, 233, 234, 235,
 igr2= 276, 277,
 &end
#
#   18 ARG  HB+          18 ARG  HD+         4.50    (#   1691:20  Unique         2.40, 2.99 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 270, 271,
 igr2= 276, 277,
 &end
#
#   18 ARG  HG-          18 ARG  HD+         4.50    (#   1692:20  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 273, 274,
 igr2= 276, 277,
 &end
#
#   23 HIS  HD2          18 ARG  HD+         5.50    (#   1695:20  Unique         2.74, 4.80 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 276, 277,
 &end
#
#  111 ARG  HB+         111 ARG  HD+         4.50    (#   1698:20  Unique         2.37, 3.20 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1701,1702,
 igr2=1707,1708,
 &end
#
#  111 ARG  HB+         111 ARG  HD-         4.50    (#   1699:20  Unique         2.37, 3.20 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1701,1702,
 igr2=1707,1708,
 &end
#
#  111 ARG  HA          111 ARG  HD+         5.50    (#   1700:20  Unique         2.14, 4.24 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=1699,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1707,1708,
 &end
#
#  111 ARG  HA          111 ARG  HD-         7.00    (#   1701:20  Unique         2.14, 4.24 A)
 &rst
  ixpk= 1701, nxpk= 20, iat=1699,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1707,1708,
 &end
#
#   75 ARG  HG+          75 ARG  HD-         4.50    (#   1702:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1122,1123,
 igr2=1125,1126,
 &end
#
#   62 ARG  HB-          62 ARG  HD-         2.80    (#   1703:20  Unique         2.42, 3.12 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 921, 922,
 igr2= 927, 928,
 &end
#
#   62 ARG  HB-          62 ARG  HD+         3.50    (#   1704:20  Unique         2.42, 3.12 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 921, 922,
 igr2= 927, 928,
 &end
#
#   14 ILE  QD1          12 ASP  HB+         5.50    (#   1705:20  Unique         3.17, 5.24 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 206, 207, 208,
 igr2= 166, 167,
 &end
#
#    8 PRO  HB+          12 ASP  HB+         7.00    (#   1706:20  Unique         2.57, 3.73 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 112, 113,
 igr2= 166, 167,
 &end
#
#   12 ASP  HA           12 ASP  HB+         3.50    (#   1707:20  Unique         2.49, 2.79 A)
 &rst
  ixpk= 1707, nxpk= 20, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 166, 167,
 &end
#
#   13 LEU  HN           12 ASP  HB+         5.50    (#   1708:20  Unique         2.56, 3.43 A)
 &rst
  ixpk= 1708, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 166, 167,
 &end
#
#    9 LYS  HN           12 ASP  HB+         7.00    (#   1709:20  Unique         2.42, 3.26 A)
 &rst
  ixpk= 1709, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 166, 167,
 &end
#
#    0 AMB  20-2:1710    64 ARG  HD-         4.50    (#   1710:20  Single Ambig)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 958, 483, 484,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:1711     0 AMB  20-1:1711   4.50    (#   1711:20  Double Ambig)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 958, 483, 484,
 igr2= 966, 967, 966, 967,
 &end
#
#   67 ASP  HN           64 ARG  HD-         4.50    (#   1713:20  Unique         4.32, 5.13 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:1714     0 AMB  20-1:1714   4.50    (#   1714:20  Double Ambig)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1014, 496, 505,
 igr2= 966, 967, 966, 967,
 &end
#
#  121 ARG  HN          120 LEU  HB-         7.00    (#   1715:20  Unique         2.76, 3.38 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1849,1850,
 &end
#
#   59 GLU  HA          103 LYS  HE+         5.50    (#   1717:20  Unique         4.15, 5.44 A)
 &rst
  ixpk= 1717, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1571,1572,
 &end
#
#    0 AMB  20-2:1720    54 LEU  HB-         5.50    (#   1720:20  Single Ambig)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 818, 799,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:1721     0 AMB  20-1:1721   5.50    (#   1721:20  Double Ambig)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 818, 799,
 igr2= 803, 804, 803, 804,
 &end
#
#  120 LEU  HN          120 LEU  HB+         5.50    (#   1722:20  Unique         2.49, 3.10 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1849,1850,
 &end
#
#   75 ARG  HN           74 TYR  HB+         4.50    (#   1723:20  Unique         2.39, 3.16 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1098,1099,
 &end
#
#   33 VAL  HN           32 TYR  HB+         4.50    (#   1724:20  Unique         2.65, 3.37 A)
 &rst
  ixpk= 1724, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   94 SER  HA           97 LYS  HE+         7.00    (#   1725:20  Unique         4.80, 5.33 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=1434,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1477,1478,
 &end
#
#   33 VAL  HN           32 TYR  HB-         5.50    (#   1726:20  Unique         2.65, 3.37 A)
 &rst
  ixpk= 1726, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#   36 LEU  MDX          36 LEU  HB-         5.50    (#   1727:20  Unique         2.39, 3.37 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2= 565, 566,
 &end
#
#   36 LEU  HA           36 LEU  HB-         7.00    (#   1728:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 1728, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 565, 566,
 &end
#
#   33 VAL  MGX          65 LEU  HB-         4.50    (#   1729:20  Unique         2.23, 4.46 A)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 515, 516, 517, 519, 520, 521,
 igr2= 984, 985,
 &end
#
#   36 LEU  HG           36 LEU  HB+         5.50    (#   1730:20  Unique         2.27, 2.69 A)
 &rst
  ixpk= 1730, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 565, 566,
 &end
#
#   36 LEU  HA           36 LEU  HB+         5.50    (#   1731:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 1731, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 565, 566,
 &end
#
#   36 LEU  HN           36 LEU  HB+         7.00    (#   1732:20  Unique         2.29, 2.73 A)
 &rst
  ixpk= 1732, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1733     0 AMB  20-1:1733   7.00    (#   1733:20  Double Ambig)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 483, 484, 958,
 igr2= 984, 985, 984, 985,
 &end
#
#   80 LEU  HN           80 LEU  HB-         4.50    (#   1734:20  Unique         2.56, 3.15 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=1194,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1198,1199,
 &end
#
#   84 TYR  HE           80 LEU  HB-         5.50    (#   1735:20  Unique         2.26, 5.39 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1267,1272,
 igr2=1198,1199,
 &end
#
#   13 LEU  HG           13 LEU  HB+         7.00    (#   1736:20  Unique         2.26, 2.71 A)
 &rst
  ixpk= 1736, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 178, 179,
 &end
#
#   13 LEU  HA           13 LEU  HB+         5.50    (#   1737:20  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1737, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   24 TRP  HD1          13 LEU  HB+         4.50    (#   1738:20  Unique         3.11, 4.70 A)
 &rst
  ixpk= 1738, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 178, 179,
 &end
#
#   13 LEU  HN           13 LEU  HB+         5.50    (#   1740:20  Unique         2.19, 3.00 A)
 &rst
  ixpk= 1740, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   24 TRP  HD1          13 LEU  HB-         4.50    (#   1742:20  Unique         3.11, 4.70 A)
 &rst
  ixpk= 1742, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 178, 179,
 &end
#
#   13 LEU  HA           13 LEU  HB-         5.50    (#   1743:20  Unique         2.47, 2.80 A)
 &rst
  ixpk= 1743, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   13 LEU  HG           13 LEU  HB-         5.50    (#   1744:20  Unique         2.26, 2.71 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#    0 AMB  20-2:1746    34 ILE  HB          4.50    (#   1746:20  Single Ambig)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 &end
#
#   34 ILE  HA           34 ILE  HB          4.50    (#   1747:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1747, nxpk= 20, iat= 527, 529, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 LEU  HB-          34 ILE  HB          5.50    (#   1748:20  Unique         2.36, 3.46 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 407, 408,
 &end
#
#   13 LEU  MDY          13 LEU  HB-         3.50    (#   1749:20  Unique         2.41, 3.36 A)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#   13 LEU  MDX          13 LEU  HB-         4.50    (#   1750:20  Unique         2.41, 3.36 A)
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2= 178, 179,
 &end
#
#   13 LEU  HN           13 LEU  HB-         5.50    (#   1751:20  Unique         2.19, 3.00 A)
 &rst
  ixpk= 1751, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#    0 AMB  20-2:1752     0 AMB  20-1:1752   5.50    (#   1752:20  Double Ambig)
 &rst
  ixpk= 1752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2=1018,1019,1018,1019,
 &end
#
#    0 AMB  20-2:1753    67 ASP  HB-         5.50    (#   1753:20  Single Ambig)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2=1018,1019,
 &end
#
#    0 AMB  20-2:1754    30 ASP  HB-         2.80    (#   1754:20  Single Ambig)
 &rst
  ixpk= 1754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 496, 505, 469,
 igr2= 473, 474,
 &end
#
#   67 ASP  HN           67 ASP  HB+         2.80    (#   1755:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1755, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1018,1019,
 &end
#
#   67 ASP  HN           67 ASP  HB-         2.80    (#   1756:20  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1018,1019,
 &end
#
#   64 ARG  HB-          67 ASP  HB+         5.50    (#   1757:20  Unique         2.24, 3.57 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 960, 961,
 igr2=1018,1019,
 &end
#
#   67 ASP  HA           67 ASP  HB+         2.80    (#   1758:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1018,1019,
 &end
#
#   67 ASP  HA           67 ASP  HB-         2.80    (#   1759:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1018,1019,
 &end
#
#   81 ASP  HA           81 ASP  HB+         3.50    (#   1760:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=1215,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1217,1218,
 &end
#
#  113 CYS  HA          116 PHE  HB-         7.00    (#   1761:20  Unique         2.17, 3.01 A)
 &rst
  ixpk= 1761, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1782,1783,
 &end
#
#  117 VAL  MGX         116 PHE  HB-         7.00    (#   1762:20  Unique         3.32, 5.82 A)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2=1782,1783,
 &end
#
#   36 LEU  MDY         116 PHE  HB-         5.50    (#   1763:20  Unique         2.39, 4.66 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1782,1783,
 &end
#
#   64 ARG  HN           63 GLU  HG-         5.50    (#   1764:20  Unique         2.14, 3.94 A)
 &rst
  ixpk= 1764, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 948, 949,
 &end
#
#   63 GLU  HN           63 GLU  HG-         5.50    (#   1765:20  Unique         3.48, 4.52 A)
 &rst
  ixpk= 1765, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 948, 949,
 &end
#
#   25 ALA  HN           14 ILE  HB          4.50    (#   1766:20  Unique         2.74, 3.16 A)
 &rst
  ixpk= 1766, nxpk= 20, iat= 393, 197, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 ILE  HA           14 ILE  HB          5.50    (#   1767:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 195, 197, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1768    14 ILE  HB          5.50    (#   1768:20  Single Ambig)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1, 197, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 240, 241, 242, 515, 516, 517, 519, 520, 521,
 &end
#
#   56 ASN  HD2-         56 ASN  HB-         5.50    (#   1769:20  Unique         2.20, 3.44 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 838, 839,
 igr2= 833, 834,
 &end
#
#   28 ILE  HN           28 ILE  HB          7.00    (#   1772:20  Unique         3.74, 3.81 A)
 &rst
  ixpk= 1772, nxpk= 20, iat= 443, 447, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   18 ARG  HB+          21 TYR  HB-         5.50    (#   1773:20  Unique         2.25, 5.91 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 270, 271,
 igr2= 320, 321,
 &end
#
#   23 HIS  HD2          21 TYR  HB-         7.00    (#   1774:20  Unique         5.28, 7.14 A)
 &rst
  ixpk= 1774, nxpk= 20, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 320, 321,
 &end
#
#   22 GLU  HN           21 TYR  HB-         4.50    (#   1775:20  Unique         2.20, 3.50 A)
 &rst
  ixpk= 1775, nxpk= 20, iat= 337,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 320, 321,
 &end
#
#   14 ILE  QD1          27 TYR  HB+         4.50    (#   1776:20  Unique         2.19, 3.69 A)
 &rst
  ixpk= 1776, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 206, 207, 208,
 igr2= 426, 427,
 &end
#
#    0 AMB  20-2:1777     0 AMB  20-1:1777   5.50    (#   1777:20  Double Ambig)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.80, r4=10.55,
 igr1= 515, 516, 517, 519, 520, 521, 112, 113,
 igr2= 426, 427, 426, 427,
 &end
#
#   14 ILE  HG1-         27 TYR  HB+         5.50    (#   1778:20  Preassigned    2.31, 3.80 A)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 203, 204,
 igr2= 426, 427,
 &end
#
#   27 TYR  HA           27 TYR  HB+         4.50    (#   1780:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 1780, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 426, 427,
 &end
#
#   77 ASN  HA           77 ASN  HB-         4.50    (#   1781:20  Unique         2.46, 2.76 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=1157,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1159,1160,
 &end
#
#   43 PRO  HD+          42 TYR  HB-         5.50    (#   1782:20  Unique         2.19, 3.94 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 666, 667,
 igr2= 648, 649,
 &end
#
#   14 ILE  HG1-         27 TYR  HB-         5.50    (#   1783:20  Preassigned    2.31, 3.80 A)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 203, 204,
 igr2= 426, 427,
 &end
#
#   14 ILE  HG1+         27 TYR  HB-         5.50    (#   1784:20  Unique         2.31, 3.80 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 203, 204,
 igr2= 426, 427,
 &end
#
#   42 TYR  HN           42 TYR  HB-         5.50    (#   1786:20  Unique         2.27, 2.95 A)
 &rst
  ixpk= 1786, nxpk= 20, iat= 644,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 648, 649,
 &end
#
#   17 PHE  HA           22 GLU  HG+         5.50    (#   1788:20  Unique         2.14, 3.67 A)
 &rst
  ixpk= 1788, nxpk= 20, iat= 248,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 344, 345,
 &end
#
#   22 GLU  HA           22 GLU  HG+         4.50    (#   1789:20  Unique         2.41, 3.20 A)
 &rst
  ixpk= 1789, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 345,
 &end
#
#   17 PHE  HE           22 GLU  HG+         7.00    (#   1790:20  Unique         2.69, 5.64 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 256, 260,
 igr2= 344, 345,
 &end
#
#   17 PHE  HD           22 GLU  HG+         5.50    (#   1791:20  Unique         2.31, 4.98 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 254, 262,
 igr2= 344, 345,
 &end
#
#   77 ASN  HD2+         77 ASN  HB+         5.50    (#   1792:20  Unique         2.41, 3.14 A)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   89 VAL  MGX          92 ILE  HB          5.50    (#   1794:20  Unique         2.95, 4.97 A)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   92 ILE  HG1-         92 ILE  HB          5.50    (#   1795:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#    0 AMB  20-2:1796    92 ILE  HB          5.50    (#   1796:20  Single Ambig)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1396, 157, 158,
 &end
#
#   17 PHE  HA           22 GLU  HG-         5.50    (#   1797:20  Unique         2.14, 3.67 A)
 &rst
  ixpk= 1797, nxpk= 20, iat= 248,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 344, 345,
 &end
#
#   22 GLU  HA           22 GLU  HG-         4.50    (#   1798:20  Unique         2.41, 3.20 A)
 &rst
  ixpk= 1798, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 345,
 &end
#
#   37 ALA  MB           61 LYS  HB-         4.50    (#   1799:20  Unique         2.61, 4.68 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 584, 585, 586,
 igr2= 899, 900,
 &end
#
#    0 AMB  20-2:1800     0 AMB  20-1:1800   5.50    (#   1800:20  Double Ambig)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 948, 949, 945, 946,
 igr2= 899, 900, 899, 900,
 &end
#
#   61 LYS  HE+          61 LYS  HB-         7.00    (#   1801:20  Unique         2.17, 4.38 A)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 908, 909,
 igr2= 899, 900,
 &end
#
#   62 ARG  HN           61 LYS  HB-         4.50    (#   1802:20  Unique         2.45, 3.21 A)
 &rst
  ixpk= 1802, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 899, 900,
 &end
#
#   61 LYS  HN           61 LYS  HB-         5.50    (#   1803:20  Unique         2.45, 3.18 A)
 &rst
  ixpk= 1803, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 899, 900,
 &end
#
#   61 LYS  HN           61 LYS  HB+         4.50    (#   1804:20  Unique         2.45, 3.18 A)
 &rst
  ixpk= 1804, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 899, 900,
 &end
#
#   62 ARG  HN           61 LYS  HB+         7.00    (#   1805:20  Unique         2.45, 3.21 A)
 &rst
  ixpk= 1805, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 899, 900,
 &end
#
#   17 PHE  HA           17 PHE  HB+         4.50    (#   1806:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1806, nxpk= 20, iat= 248,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 250, 251,
 &end
#
#   93 ILE  HG1+         93 ILE  HB          2.80    (#   1807:20  Unique         2.09, 2.73 A)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1,1417, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1423,1424,
 &end
#
#   67 ASP  HB-          63 GLU  HB-         7.00    (#   1808:20  Unique         2.79, 5.08 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1018,1019,
 igr2= 945, 946,
 &end
#
#   63 GLU  HN           63 GLU  HB+         5.50    (#   1811:20  Unique         2.80, 3.32 A)
 &rst
  ixpk= 1811, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 945, 946,
 &end
#
#    0 AMB  20-2:1812     0 AMB  20-1:1812   5.50    (#   1812:20  Double Ambig)
 &rst
  ixpk= 1812, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1580, 854,
 igr2=1584,1585,1584,1585,
 &end
#
#  104 MET  ME          104 MET  HB+         5.50    (#   1813:20  Unique         4.47, 5.01 A)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1591,1592,1593,
 igr2=1584,1585,
 &end
#
#   58 ALA  MB          104 MET  HB+         7.00    (#   1814:20  Unique         2.17, 4.23 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 858, 859, 860,
 igr2=1584,1585,
 &end
#
#   36 LEU  MDY         104 MET  HB+         5.50    (#   1815:20  Unique         2.30, 4.45 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1584,1585,
 &end
#
#   36 LEU  MDX         104 MET  HB+         2.80    (#   1816:20  Unique         2.30, 4.45 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1584,1585,
 &end
#
#   36 LEU  MDX         104 MET  HB-         3.50    (#   1817:20  Unique         2.30, 4.45 A)
 &rst
  ixpk= 1817, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1584,1585,
 &end
#
#  121 ARG  HE           78 ASN  HB-         7.00    (#   1818:20  Unique         4.28, 6.80 A)
 &rst
  ixpk= 1818, nxpk= 20, iat=1877,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1173,1174,
 &end
#
#    0 AMB  20-2:1819     0 AMB  20-1:1819   5.50    (#   1819:20  Double Ambig)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1541, 864,
 igr2= 871, 872, 871, 872,
 &end
#
#  101 GLY  HA-          59 GLU  HG+         4.50    (#   1820:20  Unique         3.25, 4.62 A)
 &rst
  ixpk= 1820, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1536,1537,
 igr2= 871, 872,
 &end
#
#  101 GLY  HA+          59 GLU  HG+         4.50    (#   1821:20  Unique         3.25, 4.62 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1536,1537,
 igr2= 871, 872,
 &end
#
#   67 ASP  HN           66 GLU  HG+         3.50    (#   1822:20  Unique         3.68, 4.18 A)
 &rst
  ixpk= 1822, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1006,1007,
 &end
#
#   65 LEU  MDY          66 GLU  HG+         4.50    (#   1824:20  Unique         2.81, 6.18 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2=1006,1007,
 &end
#
#   64 ARG  HG-          66 GLU  HG+         7.00    (#   1825:20  Unique         4.29, 6.59 A)
 &rst
  ixpk= 1825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 963, 964,
 igr2=1006,1007,
 &end
#
#    8 PRO  HD-           7 GLU  HG-         5.50    (#   1826:20  Unique         2.33, 3.98 A)
 &rst
  ixpk= 1826, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#    8 PRO  HD-           7 GLU  HG+         5.50    (#   1827:20  Unique         2.33, 3.98 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 106, 107,
 igr2=  97,  98,
 &end
#
#   83 GLU  HN           83 GLU  HG+         5.50    (#   1829:20  Unique         2.64, 3.42 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1249,1250,
 &end
#
#    0 AMB  20-2:1830    83 GLU  HG-         7.00    (#   1830:20  Single Ambig)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 igr2=1249,1250,
 &end
#
#   83 GLU  HB+          83 GLU  HG-         2.80    (#   1833:20  Unique         2.32, 2.60 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1246,1247,
 igr2=1249,1250,
 &end
#
#   83 GLU  HA            0 AMB  20-1:1834   3.50    (#   1834:20  Single Ambig)
 &rst
  ixpk= 1834, nxpk= 20, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1249,1250,1249,1250,
 &end
#
#   84 TYR  HH            0 AMB  20-1:1835   5.50    (#   1835:20  Single Ambig)
 &rst
  ixpk= 1835, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1249,1250,1249,1250,
 &end
#
#   83 GLU  HN           83 GLU  HG-         5.50    (#   1836:20  Unique         2.64, 3.42 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=1242,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1249,1250,
 &end
#
#   26 LEU  HN           33 VAL  HB          4.50    (#   1837:20  Unique         3.43, 3.65 A)
 &rst
  ixpk= 1837, nxpk= 20, iat= 403, 513, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1838    35 HIS  HB-         5.50    (#   1838:20  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 515, 516, 517, 519, 520, 521,
 igr2= 548, 549,
 &end
#
#    0 AMB  20-2:1839     0 AMB  20-1:1839   5.50    (#   1839:20  Double Ambig)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 515, 516, 517, 519, 520, 521,
 igr2= 548, 549, 548, 549, 548, 549,
 &end
#
#   25 ALA  HA           35 HIS  HB-         4.50    (#   1842:20  Unique         2.64, 3.28 A)
 &rst
  ixpk= 1842, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 548, 549,
 &end
#
#   25 ALA  HA           35 HIS  HB+         4.50    (#   1843:20  Unique         2.64, 3.28 A)
 &rst
  ixpk= 1843, nxpk= 20, iat= 395,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 548, 549,
 &end
#
#   36 LEU  HN           35 HIS  HB+         5.50    (#   1844:20  Unique         2.31, 3.28 A)
 &rst
  ixpk= 1844, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 548, 549,
 &end
#
#   36 LEU  HN           35 HIS  HB-         7.00    (#   1845:20  Unique         2.31, 3.28 A)
 &rst
  ixpk= 1845, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 548, 549,
 &end
#
#   60 VAL  MGY         102 GLN  HG-         7.00    (#   1846:20  Unique         4.90, 6.86 A)
 &rst
  ixpk= 1846, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1548,1549,
 &end
#
#   60 VAL  MGY         102 GLN  HG+         7.00    (#   1847:20  Unique         4.90, 6.86 A)
 &rst
  ixpk= 1847, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2-        102 GLN  HG-         7.00    (#   1848:20  Unique         2.26, 3.25 A)
 &rst
  ixpk= 1848, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2-        102 GLN  HG+         7.00    (#   1849:20  Unique         2.26, 3.25 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#  102 GLN  HE2+        102 GLN  HG-         5.50    (#   1850:20  Unique         2.26, 3.25 A)
 &rst
  ixpk= 1850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1553,1554,
 igr2=1548,1549,
 &end
#
#  103 LYS  HN          102 GLN  HG-         5.50    (#   1851:20  Unique         4.08, 4.56 A)
 &rst
  ixpk= 1851, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1548,1549,
 &end
#
#  103 LYS  HN          102 GLN  HG+         4.50    (#   1852:20  Unique         4.08, 4.56 A)
 &rst
  ixpk= 1852, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1548,1549,
 &end
#
#   23 HIS  HN           23 HIS  HB-         7.00    (#   1853:20  Unique         2.44, 3.08 A)
 &rst
  ixpk= 1853, nxpk= 20, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 356, 357,
 &end
#
#   23 HIS  HD2          23 HIS  HB-         5.50    (#   1854:20  Unique         2.57, 3.16 A)
 &rst
  ixpk= 1854, nxpk= 20, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 356, 357,
 &end
#
#    0 AMB  20-2:1855    23 HIS  HB-         4.50    (#   1855:20  Single Ambig)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 231, 594, 595,
 igr2= 356, 357,
 &end
#
#   16 ILE  QD1          23 HIS  HB-         5.50    (#   1856:20  Unique         2.59, 4.90 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 240, 241, 242,
 igr2= 356, 357,
 &end
#
#   16 ILE  QD1          23 HIS  HB+         4.50    (#   1857:20  Unique         2.59, 4.90 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 240, 241, 242,
 igr2= 356, 357,
 &end
#
#    0 AMB  20-2:1858     0 AMB  20-1:1858   4.50    (#   1858:20  Double Ambig)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 231, 594, 595,
 igr2= 356, 357, 356, 357,
 &end
#
#   23 HIS  HA           23 HIS  HB+         5.50    (#   1859:20  Unique         2.43, 2.79 A)
 &rst
  ixpk= 1859, nxpk= 20, iat= 354,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 356, 357,
 &end
#
#   23 HIS  HN           23 HIS  HB+         5.50    (#   1860:20  Unique         2.44, 3.08 A)
 &rst
  ixpk= 1860, nxpk= 20, iat= 352,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 356, 357,
 &end
#
#  102 GLN  HA            0 AMB  20-1:1861   5.50    (#   1861:20  Single Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=1543,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1562,1563, 868, 869,
 &end
#
#  114 GLU  HB-         114 GLU  HG-         5.50    (#   1862:20  Unique         2.23, 2.70 A)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1750,1751,
 igr2=1753,1754,
 &end
#
#  114 GLU  HA          114 GLU  HG-         5.50    (#   1863:20  Unique         2.33, 3.23 A)
 &rst
  ixpk= 1863, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1753,1754,
 &end
#
#    0 AMB  20-2:1864     0 AMB  20-1:1864   7.00    (#   1864:20  Double Ambig)
 &rst
  ixpk= 1864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1=1929,1930,1929,1930,
 igr2=1920,1921,1920,1921,
 &end
#
#   87 ARG  HD-         124 LYS  HB+         7.00    (#   1865:20  Unique         2.89, 5.43 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1319,1320,
 igr2=1920,1921,
 &end
#
#  124 LYS  HN          124 LYS  HB+         5.50    (#   1866:20  Unique         2.35, 3.02 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1920,1921,
 &end
#
#  124 LYS  HN          124 LYS  HB-         7.00    (#   1867:20  Unique         2.35, 3.02 A)
 &rst
  ixpk= 1867, nxpk= 20, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1920,1921,
 &end
#
#  125 SER  HN          124 LYS  HB-         5.50    (#   1868:20  Unique         1.87, 3.29 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1920,1921,
 &end
#
#   60 VAL  MGX          99 MET  HB-         4.50    (#   1869:20  Unique         2.33, 3.96 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1505,1506,
 &end
#
#  114 GLU  HA           24 TRP  HB-         5.50    (#   1871:20  Unique         2.34, 2.99 A)
 &rst
  ixpk= 1871, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 373, 374,
 &end
#
#   24 TRP  HA           24 TRP  HB-         5.50    (#   1872:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 1872, nxpk= 20, iat= 371,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 373, 374,
 &end
#
#   24 TRP  HD1          24 TRP  HB-         5.50    (#   1873:20  Unique         2.53, 3.15 A)
 &rst
  ixpk= 1873, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 373, 374,
 &end
#
#   25 ALA  HN           24 TRP  HB-         7.00    (#   1874:20  Unique         2.42, 3.36 A)
 &rst
  ixpk= 1874, nxpk= 20, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#  117 VAL  MGX          24 TRP  HB+         5.50    (#   1875:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2= 373, 374,
 &end
#
#  114 GLU  HA           24 TRP  HB+         5.50    (#   1876:20  Unique         2.34, 2.99 A)
 &rst
  ixpk= 1876, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 373, 374,
 &end
#
#  105 LYS  HE+         105 LYS  HB+         7.00    (#   1877:20  Unique         2.17, 4.04 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1610,1611,
 igr2=1601,1602,
 &end
#
#  106 TYR  HN          105 LYS  HB+         5.50    (#   1878:20  Unique         2.01, 3.23 A)
 &rst
  ixpk= 1878, nxpk= 20, iat=1619,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1601,1602,
 &end
#
#  120 LEU  MDX          99 MET  HG-         3.50    (#   1879:20  Unique         2.17, 4.51 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1508,1509,
 &end
#
#  120 LEU  MDY          99 MET  HG-         7.00    (#   1880:20  Unique         2.17, 4.51 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1508,1509,
 &end
#
#   60 VAL  MGX          99 MET  HG-         5.50    (#   1881:20  Unique         4.55, 6.02 A)
 &rst
  ixpk= 1881, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1508,1509,
 &end
#
#   96 ALA  HA           99 MET  HG-         5.50    (#   1882:20  Unique         3.62, 3.97 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1508,1509,
 &end
#
#   80 LEU  HA           83 GLU  HB+         5.50    (#   1883:20  Unique         2.16, 3.15 A)
 &rst
  ixpk= 1883, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1246,1247,
 &end
#
#   84 TYR  HA           83 GLU  HB+         5.50    (#   1884:20  Unique         4.55, 4.72 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1246,1247,
 &end
#
#   88 PRO  HD-          88 PRO  HB-         5.50    (#   1886:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   88 PRO  HD+          88 PRO  HB-         7.00    (#   1887:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   89 VAL  HN           88 PRO  HB-         5.50    (#   1888:20  Unique         3.70, 4.04 A)
 &rst
  ixpk= 1888, nxpk= 20, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1340,1341,
 &end
#
#    9 LYS  HA            9 LYS  HB+         3.50    (#   1889:20  Unique         2.21, 2.77 A)
 &rst
  ixpk= 1889, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 123, 124,
 &end
#
#    9 LYS  HA            9 LYS  HB-         3.50    (#   1890:20  Unique         2.21, 2.77 A)
 &rst
  ixpk= 1890, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 123, 124,
 &end
#
#    0 AMB  20-2:1891     0 AMB  20-1:1891   3.50    (#   1891:20  Double Ambig)
 &rst
  ixpk= 1891, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 464, 465,1141,
 igr2= 148, 149,1143,
 &end
#
#   69 VAL  HA           69 VAL  HB          4.50    (#   1892:20  Unique         2.34, 2.44 A)
 &rst
  ixpk= 1892, nxpk= 20, iat=1044,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  MDX         104 MET  HG+         3.50    (#   1893:20  Unique         2.26, 4.42 A)
 &rst
  ixpk= 1893, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1587,1588,
 &end
#
#   36 LEU  MDX         104 MET  HG-         4.50    (#   1894:20  Unique         2.26, 4.42 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 570, 571, 572, 574, 575, 576,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:1895   104 MET  HG-         5.50    (#   1895:20  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1580, 879,
 igr2=1587,1588,
 &end
#
#    0 AMB  20-2:1897     0 AMB  20-1:1897   5.50    (#   1897:20  Double Ambig)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1580, 879,
 igr2=1587,1588,1587,1588,
 &end
#
#   34 ILE  QD1          62 ARG  HB+         4.50    (#   1898:20  Unique         2.47, 4.94 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 538, 539, 540,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:1899     0 AMB  20-1:1899   4.50    (#   1899:20  Double Ambig)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 214,1159,1160,
 igr2= 216, 217, 216, 217,
 &end
#
#   15 GLU  HN           15 GLU  HB+         4.50    (#   1900:20  Unique         2.31, 2.97 A)
 &rst
  ixpk= 1900, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 216, 217,
 &end
#
#   15 GLU  HN           15 GLU  HB-         4.50    (#   1901:20  Unique         2.31, 2.97 A)
 &rst
  ixpk= 1901, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 216, 217,
 &end
#
#   15 GLU  HG+          15 GLU  HB-         5.50    (#   1902:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 219, 220,
 igr2= 216, 217,
 &end
#
#    0 AMB  20-2:1903     0 AMB  20-1:1903   3.50    (#   1903:20  Double Ambig)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 206, 207, 208, 989, 990, 991, 993, 994, 995,
 igr2= 112, 113, 112, 113,
 &end
#
#    8 PRO  HD-           8 PRO  HB+         7.00    (#   1904:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 106, 107,
 igr2= 112, 113,
 &end
#
#   27 TYR  HD            8 PRO  HB+         4.50    (#   1905:20  Unique         2.46, 4.25 A)
 &rst
  ixpk= 1905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 430, 439,
 igr2= 112, 113,
 &end
#
#   12 ASP  HB-           8 PRO  HB-         7.00    (#   1906:20  Unique         2.57, 3.73 A)
 &rst
  ixpk= 1906, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 166, 167,
 igr2= 112, 113,
 &end
#
#   38 PRO  HD+          38 PRO  HB+         5.50    (#   1907:20  Unique         2.78, 3.67 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 591, 592,
 igr2= 597, 598,
 &end
#
#   23 HIS  HD2          38 PRO  HB-         5.50    (#   1909:20  Unique         4.18, 5.88 A)
 &rst
  ixpk= 1909, nxpk= 20, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 597, 598,
 &end
#
#  100 VAL  MGY          60 VAL  HB          7.00    (#   1910:20  Unique         3.96, 5.21 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:1911   117 VAL  HB          7.00    (#   1911:20  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,1802, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 &end
#
#    5 HIS  HN            5 HIS  HB+         4.50    (#   1913:20  Unique         2.35, 3.22 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  60,  61,
 &end
#
#    5 HIS  HN            5 HIS  HB-         5.50    (#   1914:20  Unique         2.35, 3.22 A)
 &rst
  ixpk= 1914, nxpk= 20, iat=  56,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  60,  61,
 &end
#
#  114 GLU  HG-         114 GLU  HB-         4.50    (#   1915:20  Unique         2.23, 2.70 A)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1753,1754,
 igr2=1750,1751,
 &end
#
#   13 LEU  MDX         121 ARG  HB+         5.50    (#   1916:20  Unique         2.81, 5.24 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1868,1869,
 &end
#
#    0 AMB  20-2:1917     0 AMB  20-1:1917   7.00    (#   1917:20  Double Ambig)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 igr2=1868,1869,1868,1869,
 &end
#
#  121 ARG  HA          121 ARG  HB+         5.50    (#   1918:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1868,1869,
 &end
#
#   18 ARG  HD-          18 ARG  HB-         7.00    (#   1919:20  Unique         2.40, 2.99 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 276, 277,
 igr2= 270, 271,
 &end
#
#   19 LEU  HN           18 ARG  HB-         5.50    (#   1920:20  Unique         2.25, 3.59 A)
 &rst
  ixpk= 1920, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 270, 271,
 &end
#
#    7 GLU  HN            0 AMB  20-1:1921   7.00    (#   1921:20  Single Ambig)
 &rst
  ixpk= 1921, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr2=  94,  95,  77,  78,
 &end
#
#  116 PHE  HN          115 HIS  HB+         4.50    (#   1922:20  Unique         2.59, 3.35 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1765,1766,
 &end
#
#    0 AMB  20-2:1923     0 AMB  20-1:1923   5.50    (#   1923:20  Double Ambig)
 &rst
  ixpk= 1923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1=1447,1448,1447,1448,1436,1437,1436,1437,
 igr2=1490,1491,1490,1491,1490,1491,
 &end
#
#   82 HIS  HD2          82 HIS  HB+         5.50    (#   1924:20  Unique         2.52, 3.17 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=1238,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1229,1230,
 &end
#
#   82 HIS  HD2          82 HIS  HB-         5.50    (#   1925:20  Unique         2.52, 3.17 A)
 &rst
  ixpk= 1925, nxpk= 20, iat=1238,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1229,1230,
 &end
#
#   62 ARG  HA           34 ILE  HG1-        4.50    (#   1926:20  Unique         2.49, 3.16 A)
 &rst
  ixpk= 1926, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:1927    34 ILE  HG1-        5.50    (#   1927:20  Single Ambig)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 525, 544,
 igr2= 535, 536,
 &end
#
#   62 ARG  HA           34 ILE  HG1+        5.50    (#   1928:20  Unique         2.49, 3.16 A)
 &rst
  ixpk= 1928, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 535, 536,
 &end
#
#   34 ILE  HA           34 ILE  HG1+        4.50    (#   1929:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1929, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:1930     0 AMB  20-1:1930   5.50    (#   1930:20  Double Ambig)
 &rst
  ixpk= 1930, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 525, 544,
 igr2= 535, 536, 535, 536,
 &end
#
#    0 AMB  20-2:1933     0 AMB  20-1:1933   7.00    (#   1933:20  Double Ambig)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1=1319,1320,1261,1262,
 igr2=1282,1283,1282,1283,
 &end
#
#   69 VAL  MGY          72 CYS  HB+         5.50    (#   1935:20  Unique         2.30, 5.66 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1048,1049,1050,1052,1053,1054,
 igr2=1076,1077,
 &end
#
#    0 AMB  20-2:1936    90 GLU  HB-         5.50    (#   1936:20  Single Ambig)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1353,1354,1355,1357,1358,1359,1384,1385,1386,1388,
      1389,1390,
 igr2=1367,1368,
 &end
#
#   60 VAL  MGX         102 GLN  HB-         7.00    (#   1937:20  Unique         2.86, 5.47 A)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1545,1546,
 &end
#
#  103 LYS  HN          102 GLN  HB-         2.80    (#   1939:20  Unique         2.39, 3.21 A)
 &rst
  ixpk= 1939, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1545,1546,
 &end
#
#   28 ILE  QD1          62 ARG  HG+         3.50    (#   1940:20  Unique         2.54, 4.08 A)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 456, 457, 458,
 igr2= 924, 925,
 &end
#
#   93 ILE  HB           93 ILE  HG1-        3.50    (#   1941:20  Unique         2.09, 2.73 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1423,1424,
 &end
#
#   90 GLU  HA           93 ILE  HG1-        5.50    (#   1942:20  Unique         3.10, 4.83 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1423,1424,
 &end
#
#   94 SER  HN           93 ILE  HG1+        5.50    (#   1943:20  Unique         4.60, 4.90 A)
 &rst
  ixpk= 1943, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1423,1424,
 &end
#
#   64 ARG  HB-          64 ARG  HG-         2.80    (#   1945:20  Unique         2.32, 2.77 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 960, 961,
 igr2= 963, 964,
 &end
#
#   26 LEU  HB-          26 LEU  HG          2.80    (#   1946:20  Unique         2.34, 2.40 A)
 &rst
  ixpk= 1946, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 407, 408,
 &end
#
#    0 AMB  20-2:1947    26 LEU  HG          5.50    (#   1947:20  Single Ambig)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 157, 158,1396,
 &end
#
#   93 ILE  HA           26 LEU  HG          5.50    (#   1948:20  Unique         4.16, 4.41 A)
 &rst
  ixpk= 1948, nxpk= 20, iat=1415, 410, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1949    26 LEU  HG          4.50    (#   1949:20  Single Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1456,1800,
 &end
#
#   26 LEU  HA           26 LEU  HG          4.50    (#   1950:20  Unique         3.81, 3.83 A)
 &rst
  ixpk= 1950, nxpk= 20, iat= 405, 410, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 SER  HB-          39 PRO  HG+         5.50    (#   1952:20  Unique         4.99, 6.76 A)
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 847, 848,
 igr2= 608, 609,
 &end
#
#    7 GLU  HA            8 PRO  HG+         5.50    (#   1953:20  Unique         4.30, 4.51 A)
 &rst
  ixpk= 1953, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 109, 110,
 &end
#
#   74 TYR  HE            0 AMB  20-1:1954   5.50    (#   1954:20  Single Ambig)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1104,1109,
 igr2= 109, 110, 203, 204,
 &end
#
#    0 AMB  20-2:1955     0 AMB  20-1:1955   5.50    (#   1955:20  Double Ambig)
 &rst
  ixpk= 1955, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.70, r4=10.45,
 igr1= 155, 393, 119,
 igr2= 412, 413, 414, 416, 417, 418, 203, 204, 109, 110,
      
 &end
#
#   28 ILE  HN           28 ILE  HG1+        4.50    (#   1956:20  Unique         2.15, 2.71 A)
 &rst
  ixpk= 1956, nxpk= 20, iat= 443,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 453, 454,
 &end
#
#   97 LYS  HN           97 LYS  HG-         4.50    (#   1957:20  Unique         2.37, 3.05 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=1464,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1471,1472,
 &end
#
#   79 SER  HN           13 LEU  MDY         7.00    (#   1958:20  Unique         2.38, 5.60 A)
 &rst
  ixpk= 1958, nxpk= 20, iat=1183,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   24 TRP  HD1          13 LEU  MDY         4.50    (#   1959:20  Unique         4.54, 6.26 A)
 &rst
  ixpk= 1959, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HN           13 LEU  MDY         5.50    (#   1960:20  Unique         2.35, 4.45 A)
 &rst
  ixpk= 1960, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#    8 PRO  HA            8 PRO  HG-         5.50    (#   1963:20  Unique         2.96, 3.94 A)
 &rst
  ixpk= 1963, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 109, 110,
 &end
#
#    7 GLU  HA            8 PRO  HG-         5.50    (#   1964:20  Unique         4.30, 4.51 A)
 &rst
  ixpk= 1964, nxpk= 20, iat=  92,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 109, 110,
 &end
#
#   97 LYS  HE-          97 LYS  HG+         5.50    (#   1966:20  Unique         2.42, 2.81 A)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1477,1478,
 igr2=1471,1472,
 &end
#
#   99 MET  ME          120 LEU  MDY         7.00    (#   1967:20  Unique         3.17, 5.84 A)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1512,1513,1514,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    0 AMB  20-2:1968   120 LEU  MDY         5.50    (#   1968:20  Single Ambig)
 &rst
  ixpk= 1968, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1505,1506,1802,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   26 LEU  HB-         120 LEU  MDY         7.00    (#   1969:20  Unique         2.19, 4.75 A)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 407, 408,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  116 PHE  HD          120 LEU  MDY         7.00    (#   1970:20  Unique         3.74, 5.67 A)
 &rst
  ixpk= 1970, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1786,1794,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  121 ARG  HN          120 LEU  MDY         7.00    (#   1971:20  Unique         5.06, 5.84 A)
 &rst
  ixpk= 1971, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   96 ALA  HN          120 LEU  MDY         5.50    (#   1972:20  Unique         3.20, 4.64 A)
 &rst
  ixpk= 1972, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  117 VAL  HB           26 LEU  MDX         4.50    (#   1973:20  Unique         2.67, 5.23 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=1802,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   11 GLY  HA-          26 LEU  MDX         3.50    (#   1974:20  Unique         2.32, 4.40 A)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 157, 158,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#    0 AMB  20-2:1975    26 LEU  MDX         5.50    (#   1975:20  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1800,1456,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   11 GLY  HA+          26 LEU  MDX         3.50    (#   1976:20  Unique         2.32, 4.40 A)
 &rst
  ixpk= 1976, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 157, 158,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   26 LEU  HA           26 LEU  MDX         2.80    (#   1977:20  Unique         2.22, 3.42 A)
 &rst
  ixpk= 1977, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   13 LEU  HA           26 LEU  MDX         5.50    (#   1978:20  Unique         3.22, 5.22 A)
 &rst
  ixpk= 1978, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#  116 PHE  HB-          36 LEU  MDY         5.50    (#   1979:20  Unique         2.39, 4.66 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1782,1783,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   60 VAL  HA           36 LEU  MDY         4.50    (#   1980:20  Unique         2.36, 4.86 A)
 &rst
  ixpk= 1980, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  113 CYS  HA           36 LEU  MDY         3.50    (#   1981:20  Preassigned    2.13, 4.51 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  103 LYS  HN          103 LYS  HG+         4.50    (#   1983:20  Unique         2.70, 3.55 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#    0 AMB  20-2:1984     0 AMB  20-1:1984   4.50    (#   1984:20  Double Ambig)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 879,1580,
 igr2=1565,1566,1565,1566,
 &end
#
#   59 GLU  HA          103 LYS  HG-         5.50    (#   1985:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 1985, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1565,1566,
 &end
#
#   62 ARG  HN           61 LYS  HG-         7.00    (#   1987:20  Unique         3.16, 4.35 A)
 &rst
  ixpk= 1987, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 902, 903,
 &end
#
#   27 TYR  HB-          65 LEU  MDX         7.00    (#   1990:20  Unique         3.68, 6.52 A)
 &rst
  ixpk= 1990, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 426, 427,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:1991    65 LEU  MDX         7.00    (#   1991:20  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1= 106, 107, 426, 427,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   68 VAL  HB           65 LEU  MDX         5.50    (#   1992:20  Unique         2.85, 5.56 A)
 &rst
  ixpk= 1992, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   61 LYS  HA          100 VAL  MGX         4.50    (#   1993:20  Unique         2.30, 3.85 A)
 &rst
  ixpk= 1993, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HN          100 VAL  MGX         3.50    (#   1994:20  Unique         2.16, 3.93 A)
 &rst
  ixpk= 1994, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   99 MET  HN          100 VAL  MGX         5.50    (#   1995:20  Unique         4.34, 6.44 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   24 TRP  HB+         117 VAL  MGX         5.50    (#   1996:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 373, 374,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  120 LEU  MDX         117 VAL  MGX         7.00    (#   1997:20  Unique         2.62, 6.67 A)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.72, r4=13.47,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   35 HIS  HA          117 VAL  MGX         4.50    (#   1998:20  Unique         3.16, 5.25 A)
 &rst
  ixpk= 1998, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   26 LEU  HA          117 VAL  MGX         4.50    (#   1999:20  Unique         3.89, 5.38 A)
 &rst
  ixpk= 1999, nxpk= 20, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  20-2:2002   124 LYS  HG-         4.50    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1929,1930,1929,1930,
 igr2=1923,1924,
 &end
#
#   89 VAL  HN           89 VAL  MGX         4.50    (#   2003:20  Unique         2.26, 3.90 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   26 LEU  HN           25 ALA  MB          2.80    (#   2004:20  Unique         2.66, 3.52 A)
 &rst
  ixpk= 2004, nxpk= 20, iat= 403,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 397, 398, 399,
 &end
#
#    0 AMB  20-2:2005     0 AMB  20-1:2005   3.50    (#   2005:20  Double Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1363, 393,
 igr2=1353,1354,1355,1357,1358,1359, 397, 398, 399,
 &end
#
#   14 ILE  HN           25 ALA  MB          5.50    (#   2006:20  Unique         3.63, 4.70 A)
 &rst
  ixpk= 2006, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 397, 398, 399,
 &end
#
#   35 HIS  HA           25 ALA  MB          4.50    (#   2007:20  Unique         3.83, 4.62 A)
 &rst
  ixpk= 2007, nxpk= 20, iat= 546,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 397, 398, 399,
 &end
#
#   88 PRO  HB-          91 VAL  MGX         5.50    (#   2009:20  Unique         2.33, 5.47 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1340,1341,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   67 ASP  HB+          68 VAL  MGY         5.50    (#   2010:20  Unique         3.17, 6.29 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1018,1019,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:2011    25 ALA  MB          5.50    (#   2011:20  Single Ambig)
 &rst
  ixpk= 2011, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 525, 544,
 igr2= 397, 398, 399,
 &end
#
#   80 LEU  MDX         118 THR  MG2         2.80    (#   2013:20  Unique         2.20, 4.47 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1203,1204,1205,1207,1208,1209,
 igr2=1820,1821,1822,
 &end
#
#   91 VAL  HN           91 VAL  MGX         2.80    (#   2014:20  Unique         2.17, 3.89 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   77 ASN  HN           76 VAL  MGY         3.50    (#   2015:20  Unique         2.70, 4.15 A)
 &rst
  ixpk= 2015, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   78 ASN  HN           76 VAL  MGY         4.50    (#   2016:20  Unique         2.66, 5.38 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=1169,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:2017    76 VAL  MGY         4.50    (#   2017:20  Single Ambig)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1157, 164,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   61 LYS  HE+          37 ALA  MB          3.50    (#   2020:20  Unique         1.95, 3.98 A)
 &rst
  ixpk= 2020, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 908, 909,
 igr2= 584, 585, 586,
 &end
#
#   59 GLU  HB-          37 ALA  MB          3.50    (#   2021:20  Preassigned    2.50, 4.72 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 868, 869,
 igr2= 584, 585, 586,
 &end
#
#   65 LEU  HA           33 VAL  MGY         3.50    (#   2022:20  Unique         2.42, 3.46 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   32 TYR  HA           33 VAL  MGY         3.50    (#   2023:20  Unique         3.62, 4.90 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HA           33 VAL  MGY         3.50    (#   2024:20  Unique         2.36, 3.51 A)
 &rst
  ixpk= 2024, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:2025     0 AMB  20-1:2025   2.80    (#   2025:20  Double Ambig)
 &rst
  ixpk= 2025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1044,1415,
 igr2= 233, 234, 235, 449, 450, 451,
 &end
#
#   16 ILE  HA           16 ILE  QG2         3.50    (#   2026:20  Unique         2.47, 3.10 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 233, 234, 235,
 &end
#
#    0 AMB  20-2:2027    92 ILE  QG2         4.50    (#   2027:20  Single Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1415,1349,
 igr2=1400,1401,1402,
 &end
#
#   11 GLY  HA+          92 ILE  QG2         4.50    (#   2028:20  Unique         2.44, 4.43 A)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 157, 158,
 igr2=1400,1401,1402,
 &end
#
#    0 AMB  20-2:2029    92 ILE  QG2         4.50    (#   2029:20  Single Ambig)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1413, 162,
 igr2=1400,1401,1402,
 &end
#
#   28 ILE  HB           93 ILE  QG2         3.50    (#   2031:20  Unique         2.70, 3.73 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1419,1420,1421,
 &end
#
#   75 ARG  HN           14 ILE  QG2         5.50    (#   2032:20  Unique         3.02, 3.86 A)
 &rst
  ixpk= 2032, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 199, 200, 201,
 &end
#
#   74 TYR  HE           14 ILE  QG2         4.50    (#   2033:20  Unique         3.58, 6.08 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1104,1109,
 igr2= 199, 200, 201,
 &end
#
#    0 AMB  20-2:2034    14 ILE  QG2         7.00    (#   2034:20  Single Ambig)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.99, r4=11.74,
 igr1= 214, 426, 427, 106, 107,
 igr2= 199, 200, 201,
 &end
#
#   25 ALA  HN           16 ILE  QD1         5.50    (#   2035:20  Unique         4.09, 5.20 A)
 &rst
  ixpk= 2035, nxpk= 20, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 240, 241, 242,
 &end
#
#   14 ILE  HG1+         16 ILE  QD1         5.50    (#   2036:20  Unique         4.39, 6.94 A)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 203, 204,
 igr2= 240, 241, 242,
 &end
#
#   69 VAL  HB           16 ILE  QD1         5.50    (#   2037:20  Unique         2.93, 4.82 A)
 &rst
  ixpk= 2037, nxpk= 20, iat=1046,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 240, 241, 242,
 &end
#
#   23 HIS  HB-          16 ILE  QD1         5.50    (#   2038:20  Unique         2.59, 4.90 A)
 &rst
  ixpk= 2038, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 356, 357,
 igr2= 240, 241, 242,
 &end
#
#   16 ILE  HA           16 ILE  QD1         5.50    (#   2039:20  Unique         4.44, 4.75 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 240, 241, 242,
 &end
#
#    0 AMB  20-2:2040    92 ILE  QD1         5.50    (#   2040:20  Single Ambig)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1311,1343,1305,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:2042    28 ILE  QD1         5.50    (#   2042:20  Single Ambig)
 &rst
  ixpk= 2042, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1468,1469,1468,1469,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:2043    28 ILE  QD1         4.50    (#   2043:20  Single Ambig)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 445, 464, 465,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:2045    28 ILE  QD1         4.50    (#   2045:20  Single Ambig)
 &rst
  ixpk= 2045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 496, 505, 469,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:2046    28 ILE  QD1         5.50    (#   2046:20  Single Ambig)
 &rst
  ixpk= 2046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 443,1464,
 igr2= 456, 457, 458,
 &end
#
#    0 AMB  20-2:2047    34 ILE  QD1         4.50    (#   2047:20  Single Ambig)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 544, 525,
 igr2= 538, 539, 540,
 &end
#
#  100 VAL  HN           34 ILE  QD1         5.50    (#   2048:20  Unique         3.72, 4.91 A)
 &rst
  ixpk= 2048, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 538, 539, 540,
 &end
#
#   96 ALA  HA           34 ILE  QD1         4.50    (#   2049:20  Unique         3.96, 4.73 A)
 &rst
  ixpk= 2049, nxpk= 20, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 538, 539, 540,
 &end
#
#   11 GLY  HA-          93 ILE  QD1         5.50    (#   2051:20  Unique         2.83, 4.53 A)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 157, 158,
 igr2=1426,1427,1428,
 &end
#
#   12 ASP  HB-          14 ILE  QD1         5.50    (#   2052:20  Unique         3.17, 5.24 A)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 166, 167,
 igr2= 206, 207, 208,
 &end
#
#    8 PRO  HA           14 ILE  QD1         4.50    (#   2053:20  Unique         4.00, 5.47 A)
 &rst
  ixpk= 2053, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 206, 207, 208,
 &end
#
#   27 TYR  HA           14 ILE  QD1         5.50    (#   2054:20  Unique         4.13, 4.96 A)
 &rst
  ixpk= 2054, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 206, 207, 208,
 &end
#
#   15 GLU  HN           14 ILE  QD1         5.50    (#   2055:20  Unique         4.44, 5.98 A)
 &rst
  ixpk= 2055, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 206, 207, 208,
 &end
#
#   14 ILE  HN           14 ILE  QD1         7.00    (#   2056:20  Unique         3.59, 4.94 A)
 &rst
  ixpk= 2056, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 206, 207, 208,
 &end
#
#    6 GLN  HG+           6 GLN  HB+         2.80    (#   2059:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2059, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  80,  81,
 igr2=  77,  78,
 &end
#
#    6 GLN  HA            6 GLN  HG+         2.80    (#   2060:20  Unique         2.52, 2.91 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  75,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  80,  81,
 &end
#
#    7 GLU  HN            7 GLU  HA          7.00    (#   2061:20  Unique         2.86, 2.94 A)
 &rst
  ixpk= 2061, nxpk= 20, iat=  90,  92, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    7 GLU  HB-           7 GLU  HG-         2.80    (#   2062:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#    7 GLU  HB-           7 GLU  HG+         2.80    (#   2063:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 2063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  94,  95,
 igr2=  97,  98,
 &end
#
#    8 PRO  HB+           8 PRO  HD-         7.00    (#   2065:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 112, 113,
 igr2= 106, 107,
 &end
#
#    8 PRO  HB-           8 PRO  HD-         4.50    (#   2066:20  Unique         2.83, 3.69 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 112, 113,
 igr2= 106, 107,
 &end
#
#   10 PRO  HA            9 LYS  HD-         5.50    (#   2067:20  Unique         4.46, 6.08 A)
 &rst
  ixpk= 2067, nxpk= 20, iat= 151,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 129, 130,
 &end
#
#    9 LYS  HA            9 LYS  HD-         4.50    (#   2069:20  Unique         2.12, 2.80 A)
 &rst
  ixpk= 2069, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:2071     9 LYS  HA          3.50    (#   2071:20  Single Ambig)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1, 121, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 126, 127, 126, 127,
 &end
#
#    9 LYS  HB-           9 LYS  HA          3.50    (#   2072:20  Unique         2.21, 2.77 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1, 121, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 123, 124,
 &end
#
#    0 AMB  20-2:2073     0 AMB  20-1:2073   2.80    (#   2073:20  Double Ambig)
 &rst
  ixpk= 2073, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 126, 127, 126, 127,
 igr2= 123, 124, 123, 124,
 &end
#
#    0 AMB  20-2:2074     9 LYS  HB-         2.80    (#   2074:20  Single Ambig)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 126, 127, 126, 127,
 igr2= 123, 124,
 &end
#
#   10 PRO  HD-          10 PRO  HB-         3.50    (#   2075:20  Unique         2.76, 3.66 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 142, 143,
 igr2= 148, 149,
 &end
#
#    0 AMB  20-2:2076     0 AMB  20-1:2076   4.50    (#   2076:20  Double Ambig)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 142, 143,1296,1297,
 igr2= 148, 149,1302,1303,
 &end
#
#   86 PRO  HA           86 PRO  HB+         2.80    (#   2077:20  Unique         2.27, 2.61 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1302,1303,
 &end
#
#   14 ILE  QD1          12 ASP  HB-         7.00    (#   2079:20  Unique         3.17, 5.24 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 206, 207, 208,
 igr2= 166, 167,
 &end
#
#    8 PRO  HB+          12 ASP  HB-         7.00    (#   2080:20  Unique         2.57, 3.73 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 112, 113,
 igr2= 166, 167,
 &end
#
#   13 LEU  MDX          13 LEU  HA          3.50    (#   2082:20  Unique         2.09, 3.79 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   13 LEU  HA           13 LEU  MDX         3.50    (#   2083:20  Unique         2.09, 3.79 A)
 &rst
  ixpk= 2083, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  20-2:2086    15 GLU  HG-         4.50    (#   2086:20  Single Ambig)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1159,1160, 214,
 igr2= 219, 220,
 &end
#
#    0 AMB  20-2:2087     0 AMB  20-1:2087   4.50    (#   2087:20  Double Ambig)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1159,1160, 214,
 igr2= 219, 220, 219, 220,
 &end
#
#   16 ILE  HN           15 GLU  HG-         7.00    (#   2088:20  Unique         2.98, 4.24 A)
 &rst
  ixpk= 2088, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 219, 220,
 &end
#
#   16 ILE  HN           15 GLU  HG+         5.50    (#   2089:20  Unique         2.98, 4.24 A)
 &rst
  ixpk= 2089, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 219, 220,
 &end
#
#   15 GLU  HB+          15 GLU  HG-         4.50    (#   2090:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 216, 217,
 igr2= 219, 220,
 &end
#
#   15 GLU  HB+          15 GLU  HG+         4.50    (#   2091:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2091, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 216, 217,
 igr2= 219, 220,
 &end
#
#   17 PHE  HD           16 ILE  HA          5.50    (#   2092:20  Unique         3.09, 4.84 A)
 &rst
  ixpk= 2092, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 254, 262,
 &end
#
#   23 HIS  HB+          16 ILE  HB          4.50    (#   2093:20  Unique         2.29, 3.06 A)
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 356, 357,
 &end
#
#   23 HIS  HB-          16 ILE  HB          5.50    (#   2094:20  Unique         2.29, 3.06 A)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 356, 357,
 &end
#
#   19 LEU  HA           19 LEU  HB+         3.50    (#   2095:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 2095, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 294, 295,
 &end
#
#   19 LEU  HN           19 LEU  HB+         4.50    (#   2097:20  Unique         2.30, 2.76 A)
 &rst
  ixpk= 2097, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 294, 295,
 &end
#
#   23 HIS  HN           16 ILE  HB          5.50    (#   2098:20  Unique         2.72, 3.16 A)
 &rst
  ixpk= 2098, nxpk= 20, iat= 352, 231, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 ILE  HN           16 ILE  HG1+        5.50    (#   2099:20  Unique         2.44, 3.34 A)
 &rst
  ixpk= 2099, nxpk= 20, iat= 227,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 237, 238,
 &end
#
#   16 ILE  HA           16 ILE  HG1+        5.50    (#   2100:20  Unique         2.51, 2.90 A)
 &rst
  ixpk= 2100, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 237, 238,
 &end
#
#   17 PHE  HD           17 PHE  HB+         3.50    (#   2101:20  Unique         2.35, 3.09 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 254, 262,
 igr2= 250, 251,
 &end
#
#   18 ARG  HG-          18 ARG  HB+         5.50    (#   2102:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 273, 274,
 igr2= 270, 271,
 &end
#
#   19 LEU  HN           18 ARG  HB+         5.50    (#   2103:20  Unique         2.25, 3.59 A)
 &rst
  ixpk= 2103, nxpk= 20, iat= 290,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 270, 271,
 &end
#
#   18 ARG  HN           18 ARG  HB+         7.00    (#   2104:20  Unique         2.28, 2.73 A)
 &rst
  ixpk= 2104, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 270, 271,
 &end
#
#  121 ARG  HN          121 ARG  HB-         4.50    (#   2105:20  Unique         2.42, 2.64 A)
 &rst
  ixpk= 2105, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1868,1869,
 &end
#
#   18 ARG  HA           18 ARG  HB+         5.50    (#   2106:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 2106, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 270, 271,
 &end
#
#   32 TYR  HD           62 ARG  HG-         4.50    (#   2108:20  Unique         2.28, 4.68 A)
 &rst
  ixpk= 2108, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 505,
 igr2= 924, 925,
 &end
#
#   32 TYR  HD           62 ARG  HG+         4.50    (#   2109:20  Unique         2.28, 4.68 A)
 &rst
  ixpk= 2109, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 505,
 igr2= 924, 925,
 &end
#
#   19 LEU  HN           19 LEU  HA          3.50    (#   2111:20  Unique         2.81, 2.85 A)
 &rst
  ixpk= 2111, nxpk= 20, iat= 290, 292, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 GLU  HA           22 GLU  HB-         4.50    (#   2112:20  Unique         2.33, 2.70 A)
 &rst
  ixpk= 2112, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 341, 342,
 &end
#
#   22 GLU  HB-          22 GLU  HG+         2.80    (#   2113:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 341, 342,
 igr2= 344, 345,
 &end
#
#   23 HIS  HN           23 HIS  HA          4.50    (#   2114:20  Unique         2.95, 2.98 A)
 &rst
  ixpk= 2114, nxpk= 20, iat= 352, 354, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 VAL  MGX          24 TRP  HB-         5.50    (#   2115:20  Unique         2.18, 3.81 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1804,1805,1806,1808,1809,1810,
 igr2= 373, 374,
 &end
#
#    0 AMB  20-2:2116    99 MET  HG-         3.50    (#   2116:20  Single Ambig)
 &rst
  ixpk= 2116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1=1512,1513,1514,1490,1491,
 igr2=1508,1509,
 &end
#
#   99 MET  HB-          99 MET  HG-         2.80    (#   2117:20  Unique         2.37, 2.65 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1505,1506,
 igr2=1508,1509,
 &end
#
#  120 LEU  MDY          26 LEU  HG          3.50    (#   2118:20  Unique         2.28, 4.12 A)
 &rst
  ixpk= 2118, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   26 LEU  HB-          26 LEU  MDX         3.50    (#   2119:20  Unique         2.41, 3.55 A)
 &rst
  ixpk= 2119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 407, 408,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#   11 GLY  HN           26 LEU  MDX         4.50    (#   2121:20  Unique         2.89, 4.67 A)
 &rst
  ixpk= 2121, nxpk= 20, iat= 155,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 412, 413, 414, 416, 417, 418,
 &end
#
#    6 GLN  HE2-         77 ASN  HB-         5.50    (#   2122:20  Unique         4.99, 7.33 A)
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  85,  86,
 igr2=1159,1160,
 &end
#
#   28 ILE  HB           28 ILE  HA          3.50    (#   2123:20  Unique         2.35, 2.39 A)
 &rst
  ixpk= 2123, nxpk= 20, iat= 447, 445, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HG1-         28 ILE  HA          5.50    (#   2124:20  Unique         2.36, 3.25 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1423,1424,
 &end
#
#    0 AMB  20-2:2126    28 ILE  HA          2.80    (#   2126:20  Single Ambig)
 &rst
  ixpk= 2126, nxpk= 20, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 449, 450, 451,1426,1427,1428,
 &end
#
#    0 AMB  20-2:2127    28 ILE  HA          5.50    (#   2127:20  Single Ambig)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 453, 454, 456, 457, 458,
 &end
#
#   10 PRO  HB+          28 ILE  HA          5.50    (#   2128:20  Unique         3.16, 4.51 A)
 &rst
  ixpk= 2128, nxpk= 20, iat=  -1, 445, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 148, 149,
 &end
#
#   28 ILE  HN           28 ILE  HA          5.50    (#   2129:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 2129, nxpk= 20, iat= 443, 445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   11 GLY  HN           28 ILE  HA          4.50    (#   2130:20  Unique         2.93, 3.13 A)
 &rst
  ixpk= 2130, nxpk= 20, iat= 155, 445, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 ILE  HB           28 ILE  HG1-        4.50    (#   2132:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2132, nxpk= 20, iat= 447,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 453, 454,
 &end
#
#   32 TYR  HN           32 TYR  HB+         5.50    (#   2134:20  Unique         2.27, 2.97 A)
 &rst
  ixpk= 2134, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 492, 493,
 &end
#
#   27 TYR  HD           33 VAL  HA          5.50    (#   2135:20  Unique         3.10, 5.12 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1, 511, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 430, 439,
 &end
#
#   65 LEU  HB-          33 VAL  MGY         7.00    (#   2136:20  Unique         2.23, 4.46 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 984, 985,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  MGY          34 ILE  HA          5.50    (#   2137:20  Unique         3.88, 5.82 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=  -1, 527, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   26 LEU  HB+          34 ILE  HB          5.50    (#   2138:20  Unique         2.36, 3.46 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 407, 408,
 &end
#
#   35 HIS  HB-          35 HIS  HA          2.80    (#   2139:20  Unique         2.38, 2.48 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 548, 549,
 &end
#
#   35 HIS  HB+          35 HIS  HA          2.80    (#   2140:20  Unique         2.38, 2.48 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 548, 549,
 &end
#
#   25 ALA  HA           35 HIS  HA          4.50    (#   2141:20  Unique         2.59, 2.86 A)
 &rst
  ixpk= 2141, nxpk= 20, iat= 395, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 PHE  HE           35 HIS  HA          3.50    (#   2142:20  Unique         2.30, 4.59 A)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1, 546, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1788,1792,
 &end
#
#   36 LEU  HN           36 LEU  HA          5.50    (#   2143:20  Unique         2.95, 2.98 A)
 &rst
  ixpk= 2143, nxpk= 20, iat= 561, 563, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   41 GLU  HA           41 GLU  HB+         2.80    (#   2144:20  Unique         2.40, 2.78 A)
 &rst
  ixpk= 2144, nxpk= 20, iat= 631,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 633, 634,
 &end
#
#  116 PHE  HA          119 GLN  HB-         4.50    (#   2146:20  Unique         2.68, 3.90 A)
 &rst
  ixpk= 2146, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1832,1833,
 &end
#
#   42 TYR  HA           43 PRO  HG-         5.50    (#   2149:20  Unique         4.21, 4.75 A)
 &rst
  ixpk= 2149, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 669, 670,
 &end
#
#  119 GLN  HA          119 GLN  HB-         2.80    (#   2150:20  Unique         2.46, 2.81 A)
 &rst
  ixpk= 2150, nxpk= 20, iat=1830,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1832,1833,
 &end
#
#  116 PHE  HA          119 GLN  HB+         3.50    (#   2151:20  Unique         2.68, 3.90 A)
 &rst
  ixpk= 2151, nxpk= 20, iat=1780,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1832,1833,
 &end
#
#   37 ALA  MB           38 PRO  HD-         3.50    (#   2157:20  Unique         2.52, 4.27 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 584, 585, 586,
 igr2= 591, 592,
 &end
#
#   32 TYR  HN           31 GLY  HA-         5.50    (#   2159:20  Unique         3.16, 3.32 A)
 &rst
  ixpk= 2159, nxpk= 20, iat= 488,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 483, 484,
 &end
#
#   45 ALA  MB           46 GLY  HA+         5.50    (#   2160:20  Unique         4.27, 5.40 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 690, 691, 692,
 igr2= 698, 699,
 &end
#
#   45 ALA  MB           46 GLY  HA-         7.00    (#   2161:20  Unique         4.27, 5.40 A)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 690, 691, 692,
 igr2= 698, 699,
 &end
#
#  122 TYR  HB-         123 GLY  HA-         4.50    (#   2162:20  Preassigned    4.27, 5.27 A)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1892,1893,
 igr2=1911,1912,
 &end
#
#   44 GLY  HN           46 GLY  HA+         7.00    (#   2164:20  Unique         5.54, 7.23 A)
 &rst
  ixpk= 2164, nxpk= 20, iat= 679,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 698, 699,
 &end
#
#   52 SER  HN           50 VAL  HA          5.50    (#   2170:20  Preassigned    3.15, 3.85 A)
 &rst
  ixpk= 2170, nxpk= 20, iat= 772, 738, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   51 PHE  HB-          51 PHE  HA          3.50    (#   2171:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1, 754, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 756, 757,
 &end
#
#   51 PHE  HB+          51 PHE  HA          4.50    (#   2172:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1, 754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 756, 757,
 &end
#
#   51 PHE  HD           51 PHE  HA          4.50    (#   2173:20  Unique         2.16, 3.62 A)
 &rst
  ixpk= 2173, nxpk= 20, iat=  -1, 754, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 760, 768,
 &end
#
#   82 HIS  HB+          82 HIS  HA          2.80    (#   2174:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1229,1230,
 &end
#
#   83 GLU  HN           82 HIS  HA          5.50    (#   2175:20  Unique         3.18, 3.34 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=1242,1227, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  103 LYS  HB-          57 SER  HB+         3.50    (#   2176:20  Unique         2.50, 4.28 A)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1562,1563,
 igr2= 847, 848,
 &end
#
#  103 LYS  HD+          57 SER  HB+         5.50    (#   2177:20  Unique         2.86, 4.83 A)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1568,1569,
 igr2= 847, 848,
 &end
#
#  103 LYS  HD+          57 SER  HB-         5.50    (#   2178:20  Unique         2.86, 4.83 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1568,1569,
 igr2= 847, 848,
 &end
#
#  103 LYS  HB-          57 SER  HB-         3.50    (#   2179:20  Unique         2.50, 4.28 A)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1562,1563,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:2180     0 AMB  20-1:2180   3.50    (#   2180:20  Double Ambig)
 &rst
  ixpk= 2180, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 854,1580,
 igr2= 847, 848, 847, 848,
 &end
#
#    0 AMB  20-2:2181    57 SER  HB-         3.50    (#   2181:20  Single Ambig)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854,1580,
 igr2= 847, 848,
 &end
#
#   54 LEU  HA           54 LEU  MDX         2.80    (#   2182:20  Preassigned    2.20, 3.87 A)
 &rst
  ixpk= 2182, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   58 ALA  HN           58 ALA  HA          4.50    (#   2184:20  Unique         2.93, 2.97 A)
 &rst
  ixpk= 2184, nxpk= 20, iat= 854, 856, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HG+          59 GLU  HB+         2.80    (#   2185:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 871, 872,
 igr2= 868, 869,
 &end
#
#   60 VAL  HN           60 VAL  HA          5.50    (#   2187:20  Unique         2.93, 2.95 A)
 &rst
  ixpk= 2187, nxpk= 20, iat= 879, 881, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 VAL  HA           60 VAL  HB          7.00    (#   2188:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 2188, nxpk= 20, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:2189    60 VAL  MGY         5.50    (#   2189:20  Single Ambig)
 &rst
  ixpk= 2189, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.25, r4=11.00,
 igr1=1524,1525,1526,1528,1529,1530, 568,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   36 LEU  HB-          60 VAL  MGY         7.00    (#   2190:20  Unique         2.69, 5.83 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 565, 566,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#  100 VAL  HA           60 VAL  MGY         7.00    (#   2191:20  Unique         2.12, 3.85 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=1520,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   36 LEU  HA           60 VAL  MGY         4.50    (#   2192:20  Unique         3.23, 4.58 A)
 &rst
  ixpk= 2192, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   59 GLU  HA           60 VAL  MGY         4.50    (#   2193:20  Unique         3.92, 5.85 A)
 &rst
  ixpk= 2193, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   63 GLU  HG+          61 LYS  HB-         5.50    (#   2194:20  Unique         2.76, 5.34 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 948, 949,
 igr2= 899, 900,
 &end
#
#   37 ALA  MB           61 LYS  HG-         4.50    (#   2195:20  Unique         2.68, 4.62 A)
 &rst
  ixpk= 2195, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 584, 585, 586,
 igr2= 902, 903,
 &end
#
#   61 LYS  HA           61 LYS  HG+         4.50    (#   2196:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 2196, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 902, 903,
 &end
#
#   61 LYS  HN           61 LYS  HG+         7.00    (#   2197:20  Unique         3.00, 3.73 A)
 &rst
  ixpk= 2197, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 902, 903,
 &end
#
#   61 LYS  HG-          61 LYS  HD+         2.80    (#   2198:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 902, 903,
 igr2= 905, 906,
 &end
#
#   61 LYS  HG-          61 LYS  HD-         2.80    (#   2199:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 2199, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 902, 903,
 igr2= 905, 906,
 &end
#
#    0 AMB  20-2:2201     0 AMB  20-1:2201   7.00    (#   2201:20  Double Ambig)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 948, 949, 945, 946,
 igr2= 905, 906, 905, 906,
 &end
#
#    0 AMB  20-2:2202    61 LYS  HD-         5.50    (#   2202:20  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 948, 949, 945, 946,
 igr2= 905, 906,
 &end
#
#   61 LYS  HA           61 LYS  HD+         5.50    (#   2205:20  Unique         4.13, 4.49 A)
 &rst
  ixpk= 2205, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 905, 906,
 &end
#
#   61 LYS  HA           61 LYS  HD-         7.00    (#   2206:20  Unique         4.13, 4.49 A)
 &rst
  ixpk= 2206, nxpk= 20, iat= 897,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 905, 906,
 &end
#
#   34 ILE  HA           62 ARG  HA          2.80    (#   2208:20  Unique         2.31, 2.38 A)
 &rst
  ixpk= 2208, nxpk= 20, iat= 527, 919, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   87 ARG  HN           86 PRO  HB-         4.50    (#   2209:20  Preassigned    2.57, 3.50 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1302,1303,
 &end
#
#   62 ARG  HN           62 ARG  HB+         4.50    (#   2210:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 2210, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 921, 922,
 &end
#
#   62 ARG  HA           62 ARG  HG-         4.50    (#   2211:20  Unique         2.52, 2.90 A)
 &rst
  ixpk= 2211, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 924, 925,
 &end
#
#   62 ARG  HA           62 ARG  HG+         5.50    (#   2212:20  Unique         2.52, 2.90 A)
 &rst
  ixpk= 2212, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 924, 925,
 &end
#
#   62 ARG  HA           62 ARG  HD+         7.00    (#   2213:20  Unique         4.33, 4.64 A)
 &rst
  ixpk= 2213, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 927, 928,
 &end
#
#   62 ARG  HA           62 ARG  HD-         7.00    (#   2214:20  Unique         4.33, 4.64 A)
 &rst
  ixpk= 2214, nxpk= 20, iat= 919,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 927, 928,
 &end
#
#   61 LYS  HB+          63 GLU  HB+         5.50    (#   2215:20  Unique         3.35, 5.58 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 899, 900,
 igr2= 945, 946,
 &end
#
#   61 LYS  HB+          63 GLU  HB-         5.50    (#   2216:20  Unique         3.35, 5.58 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 899, 900,
 igr2= 945, 946,
 &end
#
#    7 GLU  HN            0 AMB  20-1:2217   5.50    (#   2217:20  Single Ambig)
 &rst
  ixpk= 2217, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=  94,  95,  77,  78,
 &end
#
#    6 GLN  HB+           6 GLN  HG+         2.80    (#   2218:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  77,  78,
 igr2=  80,  81,
 &end
#
#    6 GLN  HB-           6 GLN  HG+         2.80    (#   2219:20  Unique         2.32, 2.76 A)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  77,  78,
 igr2=  80,  81,
 &end
#
#    6 GLN  HA            7 GLU  HA          4.50    (#   2220:20  Unique         4.37, 4.50 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=  75,  92, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    8 PRO  HD-           7 GLU  HB+         4.50    (#   2221:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 106, 107,
 igr2=  94,  95,
 &end
#
#    8 PRO  HA            8 PRO  HD-         3.50    (#   2222:20  Unique         3.57, 3.85 A)
 &rst
  ixpk= 2222, nxpk= 20, iat= 115,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 106, 107,
 &end
#
#   10 PRO  HD-           9 LYS  HB-         3.50    (#   2223:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 142, 143,
 igr2= 123, 124,
 &end
#
#   10 PRO  HD+           9 LYS  HB-         4.50    (#   2224:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 2224, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 142, 143,
 igr2= 123, 124,
 &end
#
#   10 PRO  HD+           9 LYS  HB+         4.50    (#   2225:20  Unique         2.10, 3.45 A)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 142, 143,
 igr2= 123, 124,
 &end
#
#    9 LYS  HA            0 AMB  20-1:2226   3.50    (#   2226:20  Single Ambig)
 &rst
  ixpk= 2226, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 126, 127, 126, 127,
 &end
#
#    0 AMB  20-2:2227   100 VAL  HB          3.50    (#   2227:20  Single Ambig)
 &rst
  ixpk= 2227, nxpk= 20, iat=  -1,1522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 &end
#
#   93 ILE  QD1          10 PRO  HB+         2.80    (#   2228:20  Unique         2.20, 3.52 A)
 &rst
  ixpk= 2228, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1426,1427,1428,
 igr2= 148, 149,
 &end
#
#   93 ILE  QD1          10 PRO  HB-         2.80    (#   2229:20  Unique         2.20, 3.52 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1426,1427,1428,
 igr2= 148, 149,
 &end
#
#    9 LYS  HA           10 PRO  HD-         2.80    (#   2232:20  Unique         2.12, 2.58 A)
 &rst
  ixpk= 2232, nxpk= 20, iat= 121,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 142, 143,
 &end
#
#   13 LEU  HN           13 LEU  MDX         4.50    (#   2233:20  Unique         2.35, 4.45 A)
 &rst
  ixpk= 2233, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 183, 184, 185, 187, 188, 189,
 &end
#
#   27 TYR  HN            0 AMB  20-1:2234   5.50    (#   2234:20  Single Ambig)
 &rst
  ixpk= 2234, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr2= 412, 413, 414, 416, 417, 418, 203, 204,
 &end
#
#   14 ILE  HN           14 ILE  HG1+        5.50    (#   2235:20  Unique         2.50, 3.36 A)
 &rst
  ixpk= 2235, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 203, 204,
 &end
#
#   14 ILE  HN           14 ILE  QG2         7.00    (#   2236:20  Unique         4.37, 4.71 A)
 &rst
  ixpk= 2236, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr2= 199, 200, 201,
 &end
#
#   15 GLU  HN           15 GLU  HA          3.50    (#   2237:20  Unique         2.98, 2.99 A)
 &rst
  ixpk= 2237, nxpk= 20, iat= 212, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 ILE  HN           16 ILE  HA          3.50    (#   2238:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 2238, nxpk= 20, iat= 227, 229, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 ILE  HG1-         16 ILE  HB          3.50    (#   2239:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1, 231, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 237, 238,
 &end
#
#   16 ILE  HG1-         16 ILE  HA          3.50    (#   2240:20  Unique         2.51, 2.90 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1, 229, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 237, 238,
 &end
#
#    0 AMB  20-2:2241    16 ILE  QD1         7.00    (#   2241:20  Single Ambig)
 &rst
  ixpk= 2241, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1=1076,1077, 214,
 igr2= 240, 241, 242,
 &end
#
#   72 CYS  HB-          16 ILE  QG2         4.50    (#   2242:20  Unique         2.29, 3.13 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1076,1077,
 igr2= 233, 234, 235,
 &end
#
#   17 PHE  HN           16 ILE  QG2         3.50    (#   2243:20  Unique         2.78, 3.61 A)
 &rst
  ixpk= 2243, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 233, 234, 235,
 &end
#
#   18 ARG  HN           17 PHE  HA          3.50    (#   2244:20  Unique         2.08, 2.36 A)
 &rst
  ixpk= 2244, nxpk= 20, iat= 266, 248, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 PHE  HD           17 PHE  HA          4.50    (#   2245:20  Unique         2.37, 3.56 A)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1, 248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 254, 262,
 &end
#
#   17 PHE  HB-          17 PHE  HA          4.50    (#   2246:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 2246, nxpk= 20, iat=  -1, 248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 250, 251,
 &end
#
#   18 ARG  HG-          18 ARG  HB-         3.50    (#   2247:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 273, 274,
 igr2= 270, 271,
 &end
#
#   18 ARG  HN           18 ARG  HG-         7.00    (#   2249:20  Unique         2.39, 3.94 A)
 &rst
  ixpk= 2249, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 273, 274,
 &end
#
#   18 ARG  HN           18 ARG  HG+         5.50    (#   2250:20  Unique         2.39, 3.94 A)
 &rst
  ixpk= 2250, nxpk= 20, iat= 266,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:2251     0 AMB  20-1:2251   4.50    (#   2251:20  Double Ambig)
 &rst
  ixpk= 2251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 276, 277,1076,1077,
 igr2= 273, 274, 273, 274,
 &end
#
#   18 ARG  HD-          18 ARG  HG+         4.50    (#   2252:20  Unique         2.33, 2.70 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 276, 277,
 igr2= 273, 274,
 &end
#
#   18 ARG  HA           18 ARG  HG+         2.80    (#   2253:20  Unique         2.45, 2.97 A)
 &rst
  ixpk= 2253, nxpk= 20, iat= 268,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 273, 274,
 &end
#
#   19 LEU  HA           19 LEU  HB-         3.50    (#   2254:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 294, 295,
 &end
#
#   19 LEU  HA           19 LEU  MDX         3.50    (#   2257:20  Unique         2.22, 3.91 A)
 &rst
  ixpk= 2257, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#   19 LEU  HA           19 LEU  MDY         2.80    (#   2258:20  Unique         2.22, 3.91 A)
 &rst
  ixpk= 2258, nxpk= 20, iat= 292,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 299, 300, 301, 303, 304, 305,
 &end
#
#   20 GLY  HN           20 GLY  HA-         7.00    (#   2259:20  Unique         2.30, 2.64 A)
 &rst
  ixpk= 2259, nxpk= 20, iat= 309,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 311, 312,
 &end
#
#   22 GLU  HA           22 GLU  HB+         4.50    (#   2260:20  Unique         2.33, 2.70 A)
 &rst
  ixpk= 2260, nxpk= 20, iat= 339,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 341, 342,
 &end
#
#   22 GLU  HG-          22 GLU  HA          4.50    (#   2261:20  Unique         2.41, 3.20 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1, 339, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 344, 345,
 &end
#
#   23 HIS  HD2          23 HIS  HA          4.50    (#   2262:20  Unique         2.57, 3.72 A)
 &rst
  ixpk= 2262, nxpk= 20, iat= 365, 354, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 TRP  HN           24 TRP  HA          7.00    (#   2263:20  Unique         2.96, 2.98 A)
 &rst
  ixpk= 2263, nxpk= 20, iat= 369, 371, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   26 LEU  HN           26 LEU  HA          5.50    (#   2264:20  Unique         2.98, 2.99 A)
 &rst
  ixpk= 2264, nxpk= 20, iat= 403, 405, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LEU  HB-          26 LEU  HG          7.00    (#   2265:20  Unique         3.04, 3.46 A)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1, 410, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1849,1850,
 &end
#
#   28 ILE  HG1-         28 ILE  HB          2.80    (#   2266:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 453, 454,
 &end
#
#    0 AMB  20-2:2267     0 AMB  20-1:2267   4.50    (#   2267:20  Double Ambig)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 426, 427, 473, 474,
 igr2= 203, 204, 453, 454,
 &end
#
#   28 ILE  HA           28 ILE  QG2         2.80    (#   2268:20  Unique         2.33, 3.09 A)
 &rst
  ixpk= 2268, nxpk= 20, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 449, 450, 451,
 &end
#
#   28 ILE  HN           28 ILE  QG2         3.50    (#   2269:20  Unique         2.70, 3.58 A)
 &rst
  ixpk= 2269, nxpk= 20, iat= 443,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 449, 450, 451,
 &end
#
#   29 GLY  HN           29 GLY  HA-         4.50    (#   2270:20  Unique         2.35, 2.70 A)
 &rst
  ixpk= 2270, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 464, 465,
 &end
#
#    0 AMB  20-2:2274    29 GLY  HA-         4.50    (#   2274:20  Single Ambig)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 129, 130, 123, 124,
 igr2= 464, 465,
 &end
#
#   31 GLY  HN           30 ASP  HA          3.50    (#   2275:20  Unique         2.78, 3.05 A)
 &rst
  ixpk= 2275, nxpk= 20, iat= 481, 471, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HA           32 TYR  HB-         4.50    (#   2277:20  Unique         2.51, 2.80 A)
 &rst
  ixpk= 2277, nxpk= 20, iat= 490,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 492, 493,
 &end
#
#   65 LEU  HA           33 VAL  MGX         3.50    (#   2279:20  Unique         2.42, 3.46 A)
 &rst
  ixpk= 2279, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HA           33 VAL  MGX         2.80    (#   2280:20  Unique         2.36, 3.51 A)
 &rst
  ixpk= 2280, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   27 TYR  HD           33 VAL  MGX         2.80    (#   2281:20  Unique         2.23, 5.89 A)
 &rst
  ixpk= 2281, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 430, 439,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:2282    33 VAL  MGX         3.50    (#   2282:20  Single Ambig)
 &rst
  ixpk= 2282, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 525, 544,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  HN           33 VAL  MGX         4.50    (#   2283:20  Unique         2.39, 3.59 A)
 &rst
  ixpk= 2283, nxpk= 20, iat= 509,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:2284     0 AMB  20-1:2284   4.50    (#   2284:20  Double Ambig)
 &rst
  ixpk= 2284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 456, 457, 458, 453, 454,
 igr2= 535, 536, 535, 536,
 &end
#
#    0 AMB  20-2:2285    34 ILE  HG1-        4.50    (#   2285:20  Single Ambig)
 &rst
  ixpk= 2285, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 456, 457, 458, 453, 454,
 igr2= 535, 536,
 &end
#
#   34 ILE  HA           34 ILE  QG2         2.80    (#   2286:20  Unique         2.60, 3.29 A)
 &rst
  ixpk= 2286, nxpk= 20, iat= 527,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 531, 532, 533,
 &end
#
#   36 LEU  HN           35 HIS  HA          3.50    (#   2287:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 2287, nxpk= 20, iat= 561, 546, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 HIS  HN           35 HIS  HA          4.50    (#   2288:20  Unique         2.92, 2.96 A)
 &rst
  ixpk= 2288, nxpk= 20, iat= 544, 546, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 GLU  HB+          41 GLU  HG+         2.80    (#   2291:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 633, 634,
 igr2= 636, 637,
 &end
#
#   41 GLU  HB-          41 GLU  HG+         2.80    (#   2292:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 633, 634,
 igr2= 636, 637,
 &end
#
#   86 PRO  HB-          86 PRO  HD+         5.50    (#   2293:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 2293, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1302,1303,
 igr2=1296,1297,
 &end
#
#   76 VAL  MGY          14 ILE  QD1         4.50    (#   2294:20  Unique         2.29, 5.85 A)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 206, 207, 208,
 &end
#
#   24 TRP  HN           24 TRP  HB-         7.00    (#   2297:20  Unique         2.40, 3.25 A)
 &rst
  ixpk= 2297, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#   24 TRP  HN           24 TRP  HB+         7.00    (#   2298:20  Unique         2.40, 3.25 A)
 &rst
  ixpk= 2298, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 373, 374,
 &end
#
#   35 HIS  HN           35 HIS  HB+         7.00    (#   2300:20  Unique         3.29, 3.65 A)
 &rst
  ixpk= 2300, nxpk= 20, iat= 544,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 548, 549,
 &end
#
#    0 AMB  20-2:2301    35 HIS  HB-         7.00    (#   2301:20  Single Ambig)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 544, 525,
 igr2= 548, 549,
 &end
#
#    0 AMB  20-2:2302     0 AMB  20-1:2302   4.50    (#   2302:20  Double Ambig)
 &rst
  ixpk= 2302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 132, 133, 132, 133,
 igr2= 126, 127, 126, 127,
 &end
#
#    0 AMB  20-2:2303     0 AMB  20-1:2303   2.80    (#   2303:20  Double Ambig)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 123, 124, 129, 130, 129, 130,
 igr2= 126, 127, 126, 127, 126, 127,
 &end
#
#    0 AMB  20-2:2304     9 LYS  HG-         2.80    (#   2304:20  Single Ambig)
 &rst
  ixpk= 2304, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 123, 124, 129, 130,
 igr2= 126, 127,
 &end
#
#   65 LEU  MDX          14 ILE  QD1         2.80    (#   2305:20  Unique         2.35, 4.17 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:2306    14 ILE  QD1         3.50    (#   2306:20  Single Ambig)
 &rst
  ixpk= 2306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 109, 110, 397, 398, 399,
 igr2= 206, 207, 208,
 &end
#
#    0 AMB  20-2:2307    14 ILE  HA          3.50    (#   2307:20  Single Ambig)
 &rst
  ixpk= 2307, nxpk= 20, iat=  -1, 195, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 206, 207, 208, 199, 200, 201,
 &end
#
#    0 AMB  20-2:2308    14 ILE  HA          3.50    (#   2308:20  Single Ambig)
 &rst
  ixpk= 2308, nxpk= 20, iat=  -1, 195, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 206, 207, 208, 199, 200, 201,
 &end
#
#   16 ILE  HG1+         14 ILE  HA          5.50    (#   2309:20  Unique         4.84, 5.37 A)
 &rst
  ixpk= 2309, nxpk= 20, iat=  -1, 195, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 237, 238,
 &end
#
#   15 GLU  HN           14 ILE  HA          4.50    (#   2310:20  Unique         2.10, 2.14 A)
 &rst
  ixpk= 2310, nxpk= 20, iat= 212, 195, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   14 ILE  HN           14 ILE  HA          7.00    (#   2311:20  Unique         2.99, 3.01 A)
 &rst
  ixpk= 2311, nxpk= 20, iat= 193, 195, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   14 ILE  HN           24 TRP  HA          4.50    (#   2312:20  Unique         4.56, 4.60 A)
 &rst
  ixpk= 2312, nxpk= 20, iat= 193, 371, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  HN           35 HIS  HB+         5.50    (#   2313:20  Unique         2.31, 3.28 A)
 &rst
  ixpk= 2313, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 548, 549,
 &end
#
#   36 LEU  HN           35 HIS  HB-         5.50    (#   2314:20  Unique         2.31, 3.28 A)
 &rst
  ixpk= 2314, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 548, 549,
 &end
#
#   37 ALA  MB           36 LEU  HA          5.50    (#   2315:20  Unique         4.35, 4.91 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1, 563, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 584, 585, 586,
 &end
#
#   36 LEU  HN           38 PRO  HD+         7.00    (#   2320:20  Unique         5.41, 6.52 A)
 &rst
  ixpk= 2320, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 591, 592,
 &end
#
#   36 LEU  HN           38 PRO  HD-         7.00    (#   2321:20  Unique         5.41, 6.52 A)
 &rst
  ixpk= 2321, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 591, 592,
 &end
#
#   90 GLU  HN           88 PRO  HA          5.50    (#   2322:20  Unique         3.93, 4.15 A)
 &rst
  ixpk= 2322, nxpk= 20, iat=1363,1343, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 TYR  HN          123 GLY  HA-         5.50    (#   2323:20  Unique         4.65, 5.28 A)
 &rst
  ixpk= 2323, nxpk= 20, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1911,1912,
 &end
#
#    0 AMB  20-2:2324   123 GLY  HA-         5.50    (#   2324:20  Single Ambig)
 &rst
  ixpk= 2324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1916,1896,1905,
 igr2=1911,1912,
 &end
#
#  122 TYR  HB-         123 GLY  HA+         5.50    (#   2326:20  Preassigned    4.27, 5.27 A)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1892,1893,
 igr2=1911,1912,
 &end
#
#   44 GLY  HA+          45 ALA  HA          5.50    (#   2329:20  Unique         4.29, 4.72 A)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1, 688, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 681, 682,
 &end
#
#   50 VAL  HA           50 VAL  MGX         2.80    (#   2341:20  Unique         2.34, 3.49 A)
 &rst
  ixpk= 2341, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   51 PHE  HA           51 PHE  HB+         3.50    (#   2345:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 2345, nxpk= 20, iat= 754,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 756, 757,
 &end
#
#   51 PHE  HA           51 PHE  HB-         3.50    (#   2348:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 2348, nxpk= 20, iat= 754,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 756, 757,
 &end
#
#   51 PHE  HD           51 PHE  HB-         2.80    (#   2350:20  Unique         2.32, 3.09 A)
 &rst
  ixpk= 2350, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 760, 768,
 igr2= 756, 757,
 &end
#
#   40 SER  HB+          40 SER  HA          2.80    (#   2351:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1, 620, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 622, 623,
 &end
#
#    0 AMB  20-2:2352   115 HIS  HA          5.50    (#   2352:20  Single Ambig)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,1763, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1753,1754,1820,1821,1822,
 &end
#
#  118 THR  HN          115 HIS  HA          7.00    (#   2353:20  Unique         3.35, 3.60 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=1814,1763, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   53 VAL  MGY          52 SER  HB+         4.50    (#   2354:20  Unique         2.75, 6.18 A)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 789, 790, 791, 793, 794, 795,
 igr2= 776, 777,
 &end
#
#   40 SER  HA           40 SER  HB+         2.80    (#   2356:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2356, nxpk= 20, iat= 620,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 622, 623,
 &end
#
#  109 VAL  MGX         109 VAL  HA          3.50    (#   2358:20  Unique         2.35, 3.41 A)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,1672, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1676,1677,1678,1680,1681,1682,
 &end
#
#   89 VAL  HB           89 VAL  MGY         2.80    (#   2359:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 2359, nxpk= 20, iat=1351,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#    0 AMB  20-2:2360     0 AMB  20-1:2360   2.80    (#   2360:20  Double Ambig)
 &rst
  ixpk= 2360, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1674, 787,
 igr2=1676,1677,1678,1680,1681,1682, 789, 790, 791, 793,
       794, 795,
 &end
#
#  124 LYS  HG+         124 LYS  HA          5.50    (#   2362:20  Unique         2.60, 3.97 A)
 &rst
  ixpk= 2362, nxpk= 20, iat=  -1,1918, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1923,1924,
 &end
#
#    0 AMB  20-2:2363    54 LEU  HA          5.50    (#   2363:20  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 818, 799,
 &end
#
#   55 SER  HB+          54 LEU  HA          5.50    (#   2364:20  Unique         4.19, 5.47 A)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 822, 823,
 &end
#
#    0 AMB  20-2:2365    87 ARG  HA          3.50    (#   2365:20  Single Ambig)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,1311, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1316,1317,1313,1314,
 &end
#
#   54 LEU  HA           54 LEU  MDY         5.50    (#   2367:20  Unique         2.20, 3.87 A)
 &rst
  ixpk= 2367, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#  115 HIS  HD2         115 HIS  HA          7.00    (#   2368:20  Unique         2.56, 3.65 A)
 &rst
  ixpk= 2368, nxpk= 20, iat=1774,1763, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:2373    56 ASN  HA          2.80    (#   2373:20  Single Ambig)
 &rst
  ixpk= 2373, nxpk= 20, iat=  -1, 831, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 833, 834, 648, 649,
 &end
#
#  125 SER  HN          125 SER  HB+         4.50    (#   2381:20  Unique         2.44, 3.10 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=1938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1942,1943,
 &end
#
#   40 SER  HA           40 SER  HB-         2.80    (#   2382:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 2382, nxpk= 20, iat= 620,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 622, 623,
 &end
#
#    0 AMB  20-2:2383    58 ALA  HA          4.50    (#   2383:20  Single Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1, 856, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 580,1640,
 &end
#
#   59 GLU  HA           59 GLU  HB-         2.80    (#   2386:20  Unique         2.41, 2.79 A)
 &rst
  ixpk= 2386, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 868, 869,
 &end
#
#   61 LYS  HE+          59 GLU  HB-         5.50    (#   2387:20  Unique         2.06, 3.98 A)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 908, 909,
 igr2= 868, 869,
 &end
#
#   59 GLU  HG+          59 GLU  HB-         2.80    (#   2388:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 871, 872,
 igr2= 868, 869,
 &end
#
#   61 LYS  HE+          59 GLU  HG+         7.00    (#   2389:20  Unique         3.60, 5.14 A)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 908, 909,
 igr2= 871, 872,
 &end
#
#  103 LYS  HE+          59 GLU  HG+         7.00    (#   2390:20  Unique         2.79, 5.20 A)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1571,1572,
 igr2= 871, 872,
 &end
#
#   36 LEU  HA           60 VAL  HA          3.50    (#   2391:20  Unique         2.10, 2.25 A)
 &rst
  ixpk= 2391, nxpk= 20, iat= 563, 881, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HD           60 VAL  MGY         7.00    (#   2392:20  Unique         3.79, 5.45 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1786,1794,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   62 ARG  HN           61 LYS  HA          2.80    (#   2393:20  Unique         2.20, 2.31 A)
 &rst
  ixpk= 2393, nxpk= 20, iat= 917, 897, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 LYS  HN           61 LYS  HA          3.50    (#   2394:20  Unique         2.99, 3.00 A)
 &rst
  ixpk= 2394, nxpk= 20, iat= 895, 897, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   37 ALA  MB           61 LYS  HG+         4.50    (#   2395:20  Unique         2.68, 4.62 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 584, 585, 586,
 igr2= 902, 903,
 &end
#
#    0 AMB  20-2:2396     0 AMB  20-1:2396   2.80    (#   2396:20  Double Ambig)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1=1562,1563,1607,1608, 868, 869, 868, 869,
 igr2=1565,1566,1604,1605,
 &end
#
#   61 LYS  HB-          61 LYS  HG-         4.50    (#   2398:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 899, 900,
 igr2= 902, 903,
 &end
#
#   59 GLU  HG+         103 LYS  HG-         3.50    (#   2399:20  Unique         2.35, 3.60 A)
 &rst
  ixpk= 2399, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 871, 872,
 igr2=1565,1566,
 &end
#
#   59 GLU  HB-          61 LYS  HD-         3.50    (#   2400:20  Unique         3.03, 5.05 A)
 &rst
  ixpk= 2400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 868, 869,
 igr2= 905, 906,
 &end
#
#   61 LYS  HB-          61 LYS  HD+         2.80    (#   2401:20  Unique         2.41, 2.87 A)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 899, 900,
 igr2= 905, 906,
 &end
#
#   61 LYS  HB-          61 LYS  HD-         3.50    (#   2402:20  Unique         2.41, 2.87 A)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 899, 900,
 igr2= 905, 906,
 &end
#
#   59 GLU  HG+          61 LYS  HE+         4.50    (#   2403:20  Unique         3.60, 5.14 A)
 &rst
  ixpk= 2403, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 871, 872,
 igr2= 908, 909,
 &end
#
#   61 LYS  HA           62 ARG  HA          7.00    (#   2404:20  Unique         4.49, 4.53 A)
 &rst
  ixpk= 2404, nxpk= 20, iat= 897, 919, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   62 ARG  HD+          62 ARG  HB+         4.50    (#   2405:20  Unique         2.42, 3.12 A)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928,
 igr2= 921, 922,
 &end
#
#   63 GLU  HN           62 ARG  HG+         7.00    (#   2406:20  Unique         2.79, 3.19 A)
 &rst
  ixpk= 2406, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 924, 925,
 &end
#
#   63 GLU  HN           62 ARG  HG-         7.00    (#   2407:20  Unique         2.79, 3.19 A)
 &rst
  ixpk= 2407, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 924, 925,
 &end
#
#    0 AMB  20-2:2408    62 ARG  HD-         4.50    (#   2408:20  Single Ambig)
 &rst
  ixpk= 2408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 535, 536,1524,1525,1526,1528,1529,1530,
 igr2= 927, 928,
 &end
#
#  100 VAL  MGX          62 ARG  HD+         4.50    (#   2409:20  Unique         3.48, 5.80 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 927, 928,
 &end
#
#    0 AMB  20-2:2412    63 GLU  HA          2.80    (#   2412:20  Single Ambig)
 &rst
  ixpk= 2412, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 948, 949, 945, 946,
 &end
#
#   63 GLU  HG+          63 GLU  HA          2.80    (#   2413:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 948, 949,
 &end
#
#   63 GLU  HB+          63 GLU  HA          3.50    (#   2414:20  Unique         2.49, 2.83 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 945, 946,
 &end
#
#   64 ARG  HN           63 GLU  HA          2.80    (#   2415:20  Unique         2.37, 2.49 A)
 &rst
  ixpk= 2415, nxpk= 20, iat= 956, 943, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   63 GLU  HN           63 GLU  HA          5.50    (#   2416:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 2416, nxpk= 20, iat= 941, 943, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   63 GLU  HN           63 GLU  HG+         7.00    (#   2417:20  Unique         3.48, 4.52 A)
 &rst
  ixpk= 2417, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 948, 949,
 &end
#
#   64 ARG  HN           63 GLU  HG+         5.50    (#   2418:20  Unique         2.14, 3.94 A)
 &rst
  ixpk= 2418, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 948, 949,
 &end
#
#   66 GLU  HN           64 ARG  HA          5.50    (#   2419:20  Unique         4.07, 4.30 A)
 &rst
  ixpk= 2419, nxpk= 20, iat= 999, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 ASP  HN           64 ARG  HB-         4.50    (#   2420:20  Unique         2.32, 2.92 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 960, 961,
 &end
#
#   65 LEU  HN           64 ARG  HB-         5.50    (#   2421:20  Unique         3.15, 3.76 A)
 &rst
  ixpk= 2421, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   65 LEU  HN           64 ARG  HB+         5.50    (#   2422:20  Unique         3.15, 3.76 A)
 &rst
  ixpk= 2422, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 960, 961,
 &end
#
#   64 ARG  HN           64 ARG  HB-         3.50    (#   2423:20  Unique         2.31, 3.01 A)
 &rst
  ixpk= 2423, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   64 ARG  HD-          64 ARG  HB-         4.50    (#   2424:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 966, 967,
 igr2= 960, 961,
 &end
#
#   32 TYR  HD           64 ARG  HG+         4.50    (#   2425:20  Unique         3.12, 4.48 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 496, 505,
 igr2= 963, 964,
 &end
#
#   64 ARG  HN           64 ARG  HD+         4.50    (#   2426:20  Unique         4.02, 4.60 A)
 &rst
  ixpk= 2426, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 966, 967,
 &end
#
#   64 ARG  HN           64 ARG  HD-         5.50    (#   2427:20  Unique         4.02, 4.60 A)
 &rst
  ixpk= 2427, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:2428    65 LEU  HA          7.00    (#   2428:20  Single Ambig)
 &rst
  ixpk= 2428, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 430, 439,1014,
 &end
#
#   66 GLU  HB-          65 LEU  HA          7.00    (#   2431:20  Unique         5.86, 6.37 A)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1003,1004,
 &end
#
#   65 LEU  MDY          65 LEU  HB+         2.80    (#   2432:20  Unique         2.40, 3.40 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 984, 985,
 &end
#
#    0 AMB  20-2:2433     0 AMB  20-1:2433   5.50    (#   2433:20  Double Ambig)
 &rst
  ixpk= 2433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.64, r4=12.39,
 igr1=1048,1049,1050,1052,1053,1054, 240, 241, 242,1032,
      1033,1034,1036,1037,1038,
 igr2= 984, 985, 984, 985, 984, 985,
 &end
#
#    0 AMB  20-2:2434    65 LEU  HB-         7.00    (#   2434:20  Single Ambig)
 &rst
  ixpk= 2434, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1= 203, 204, 109, 110,
 igr2= 984, 985,
 &end
#
#   66 GLU  HB-          65 LEU  HB+         5.50    (#   2435:20  Unique         5.12, 6.29 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1003,1004,
 igr2= 984, 985,
 &end
#
#   65 LEU  HB-          65 LEU  HG          3.50    (#   2436:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2436, nxpk= 20, iat=  -1, 987, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 984, 985,
 &end
#
#   65 LEU  HN           65 LEU  HG          7.00    (#   2437:20  Unique         4.30, 4.52 A)
 &rst
  ixpk= 2437, nxpk= 20, iat= 980, 987, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   65 LEU  HN           65 LEU  MDX         7.00    (#   2439:20  Unique         4.58, 5.20 A)
 &rst
  ixpk= 2439, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2441    65 LEU  MDY         2.80    (#   2441:20  Single Ambig)
 &rst
  ixpk= 2441, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 987, 984, 985,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2442    65 LEU  MDY         4.50    (#   2442:20  Single Ambig)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 109, 110, 203, 204,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HA           65 LEU  MDY         4.50    (#   2443:20  Unique         2.21, 3.82 A)
 &rst
  ixpk= 2443, nxpk= 20, iat= 982,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#   65 LEU  HN           65 LEU  MDY         5.50    (#   2444:20  Unique         4.58, 5.20 A)
 &rst
  ixpk= 2444, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  20-2:2445    66 GLU  HA          4.50    (#   2445:20  Single Ambig)
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 987, 984, 985,
 &end
#
#   69 VAL  HN           66 GLU  HA          4.50    (#   2447:20  Unique         3.64, 3.77 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=1042,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HG+          66 GLU  HB-         2.80    (#   2449:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1006,1007,
 igr2=1003,1004,
 &end
#
#   67 ASP  HA           66 GLU  HB-         4.50    (#   2450:20  Unique         3.91, 4.28 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1003,1004,
 &end
#
#    0 AMB  20-2:2451     0 AMB  20-1:2451   3.50    (#   2451:20  Double Ambig)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 960, 961, 984, 985,
 igr2=1006,1007,1006,1007,
 &end
#
#   67 ASP  HB-          67 ASP  HA          2.80    (#   2453:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1018,1019,
 &end
#
#   66 GLU  HG+          67 ASP  HA          5.50    (#   2454:20  Preassigned    6.05, 6.31 A)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1006,1007,
 &end
#
#    0 AMB  20-2:2456   106 TYR  HA          3.50    (#   2456:20  Single Ambig)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1623,1624, 833, 834,
 &end
#
#   64 ARG  HB-          67 ASP  HB-         5.50    (#   2458:20  Unique         2.24, 3.57 A)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 960, 961,
 igr2=1018,1019,
 &end
#
#   69 VAL  MGY          68 VAL  HA          5.50    (#   2459:20  Unique         5.27, 6.66 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,1028, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:2462    68 VAL  HB          7.00    (#   2462:20  Single Ambig)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,1030, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
      1053,1054,
 &end
#
#   35 HIS  HD2          68 VAL  MGY         5.50    (#   2463:20  Unique         2.98, 4.81 A)
 &rst
  ixpk= 2463, nxpk= 20, iat= 557,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   67 ASP  HN           68 VAL  MGY         5.50    (#   2464:20  Unique         4.48, 6.42 A)
 &rst
  ixpk= 2464, nxpk= 20, iat=1014,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   63 GLU  HA           68 VAL  MGY         4.50    (#   2465:20  Unique         4.55, 6.67 A)
 &rst
  ixpk= 2465, nxpk= 20, iat= 943,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   25 ALA  MB           68 VAL  MGY         5.50    (#   2466:20  Unique         2.94, 5.69 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 397, 398, 399,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   16 ILE  QG2          69 VAL  HA          2.80    (#   2467:20  Unique         2.56, 3.46 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 233, 234, 235,
 &end
#
#   93 ILE  HN           93 ILE  HA          2.80    (#   2468:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 2468, nxpk= 20, iat=1413,1415, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 VAL  HN           69 VAL  HA          2.80    (#   2469:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   87 ARG  HN           86 PRO  HB+         4.50    (#   2470:20  Preassigned    2.57, 3.50 A)
 &rst
  ixpk= 2470, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1302,1303,
 &end
#
#   70 GLY  HN           69 VAL  HB          4.50    (#   2471:20  Preassigned    3.80, 4.08 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=1058,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HB           69 VAL  MGX         2.80    (#   2472:20  Unique         2.36, 2.64 A)
 &rst
  ixpk= 2472, nxpk= 20, iat=1046,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#   18 ARG  HA           72 CYS  HA          3.50    (#   2473:20  Unique         3.43, 3.56 A)
 &rst
  ixpk= 2473, nxpk= 20, iat= 268,1074, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  MGY          72 CYS  HB-         5.50    (#   2474:20  Unique         2.30, 5.66 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1048,1049,1050,1052,1053,1054,
 igr2=1076,1077,
 &end
#
#   72 CYS  HA           72 CYS  HB-         2.80    (#   2475:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 2475, nxpk= 20, iat=1074,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1076,1077,
 &end
#
#   72 CYS  HA           72 CYS  HB+         4.50    (#   2476:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 2476, nxpk= 20, iat=1074,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1076,1077,
 &end
#
#   17 PHE  HE           73 CYS  HB+         7.00    (#   2479:20  Unique         3.17, 6.42 A)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 256, 260,
 igr2=1087,1088,
 &end
#
#   17 PHE  HN           73 CYS  HB+         5.50    (#   2480:20  Unique         3.64, 4.32 A)
 &rst
  ixpk= 2480, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1087,1088,
 &end
#
#   74 TYR  HB-          74 TYR  HA          2.80    (#   2481:20  Unique         2.29, 2.44 A)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,1096, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1098,1099,
 &end
#
#   74 TYR  HE           74 TYR  HB-         5.50    (#   2482:20  Unique         4.67, 5.10 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1104,1109,
 igr2=1098,1099,
 &end
#
#    0 AMB  20-2:2483     0 AMB  20-1:2483   7.00    (#   2483:20  Double Ambig)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 462,1104,1109,
 igr2= 492, 493,1098,1099,
 &end
#
#   75 ARG  HN           74 TYR  HB-         5.50    (#   2484:20  Unique         2.39, 3.16 A)
 &rst
  ixpk= 2484, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1098,1099,
 &end
#
#   16 ILE  HA           74 TYR  HB+         5.50    (#   2485:20  Unique         2.61, 2.91 A)
 &rst
  ixpk= 2485, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1098,1099,
 &end
#
#   16 ILE  HG1-         74 TYR  HB+         4.50    (#   2486:20  Unique         2.31, 3.25 A)
 &rst
  ixpk= 2486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 237, 238,
 igr2=1098,1099,
 &end
#
#  121 ARG  HE          121 ARG  HD+         5.50    (#   2487:20  Unique         2.30, 2.78 A)
 &rst
  ixpk= 2487, nxpk= 20, iat=1877,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1874,1875,
 &end
#
#  121 ARG  HE          121 ARG  HD-         5.50    (#   2488:20  Unique         2.30, 2.78 A)
 &rst
  ixpk= 2488, nxpk= 20, iat=1877,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1874,1875,
 &end
#
#  121 ARG  HG-         121 ARG  HD+         7.00    (#   2491:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 2491, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1871,1872,
 igr2=1874,1875,
 &end
#
#  121 ARG  HG-         121 ARG  HD-         4.50    (#   2492:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1871,1872,
 igr2=1874,1875,
 &end
#
#   13 LEU  MDY         121 ARG  HD+         3.50    (#   2493:20  Unique         2.50, 5.62 A)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1874,1875,
 &end
#
#    0 AMB  20-2:2494     0 AMB  20-1:2494   7.00    (#   2494:20  Double Ambig)
 &rst
  ixpk= 2494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 181,  80,  81,
 igr2=1874,1875,1125,1126,
 &end
#
#   13 LEU  HG          121 ARG  HD-         5.50    (#   2495:20  Unique         3.33, 5.36 A)
 &rst
  ixpk= 2495, nxpk= 20, iat= 181,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1874,1875,
 &end
#
#   75 ARG  HN           75 ARG  HB-         7.00    (#   2496:20  Unique         2.80, 3.61 A)
 &rst
  ixpk= 2496, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1119,1120,
 &end
#
#    0 AMB  20-2:2497     0 AMB  20-1:2497   4.50    (#   2497:20  Double Ambig)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 538, 539, 540, 449, 450, 451,
 igr2=1468,1469,1468,1469,1468,1469,
 &end
#
#  100 VAL  MGX           0 AMB  20-1:2498   7.00    (#   2498:20  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.89, r4=12.64,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2=1468,1469,1468,1469,
 &end
#
#   96 ALA  MB            0 AMB  20-1:2499   5.50    (#   2499:20  Single Ambig)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1458,1459,1460,
 igr2=1468,1469,1468,1469,
 &end
#
#    6 GLN  HG+          75 ARG  HB-         5.50    (#   2500:20  Unique         3.96, 6.21 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  80,  81,
 igr2=1119,1120,
 &end
#
#  120 LEU  MDX         120 LEU  HG          2.80    (#   2501:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   75 ARG  HD-          75 ARG  HG+         4.50    (#   2502:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,
 igr2=1122,1123,
 &end
#
#   75 ARG  HD-          75 ARG  HG-         4.50    (#   2503:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1125,1126,
 igr2=1122,1123,
 &end
#
#   75 ARG  HD+          75 ARG  HG+         5.50    (#   2504:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1125,1126,
 igr2=1122,1123,
 &end
#
#   17 PHE  HE           75 ARG  HG+         5.50    (#   2506:20  Unique         2.26, 5.11 A)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 256, 260,
 igr2=1122,1123,
 &end
#
#   75 ARG  HN           75 ARG  HG+         7.00    (#   2508:20  Unique         2.65, 3.40 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=1115,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:2509     0 AMB  20-1:2509   2.80    (#   2509:20  Double Ambig)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1562,1563, 868, 869, 868, 869,
 igr2=1565,1566,1565,1566,1565,1566,
 &end
#
#   75 ARG  HG-          75 ARG  HD+         5.50    (#   2510:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1122,1123,
 igr2=1125,1126,
 &end
#
#   75 ARG  HG+          75 ARG  HD+         5.50    (#   2511:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1122,1123,
 igr2=1125,1126,
 &end
#
#    0 AMB  20-2:2513     0 AMB  20-1:2513   3.50    (#   2513:20  Double Ambig)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1119,1120,  77,  78,
 igr2=1122,1123,1122,1123,
 &end
#
#   75 ARG  HD+          75 ARG  HG-         5.50    (#   2514:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1125,1126,
 igr2=1122,1123,
 &end
#
#    0 AMB  20-2:2515    76 VAL  HA          4.50    (#   2515:20  Single Ambig)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 206, 207, 208, 199, 200, 201,
 &end
#
#   76 VAL  MGX          76 VAL  HA          3.50    (#   2516:20  Unique         2.36, 3.19 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   76 VAL  MGY          76 VAL  HA          2.80    (#   2517:20  Unique         2.36, 3.19 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,1141, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   76 VAL  HB           76 VAL  HA          5.50    (#   2518:20  Unique         2.46, 2.99 A)
 &rst
  ixpk= 2518, nxpk= 20, iat=1143,1141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLU  HN           76 VAL  HA          5.50    (#   2519:20  Unique         3.21, 3.50 A)
 &rst
  ixpk= 2519, nxpk= 20, iat= 212,1141, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASN  HN           76 VAL  HA          2.80    (#   2520:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=1155,1141, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   86 PRO  HG+          86 PRO  HB+         2.80    (#   2522:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 2522, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1299,1300,
 igr2=1302,1303,
 &end
#
#   74 TYR  HD           69 VAL  HB          5.50    (#   2523:20  Unique         2.53, 4.82 A)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,1046, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1102,1111,
 &end
#
#   76 VAL  HN           76 VAL  MGX         2.80    (#   2524:20  Unique         2.27, 4.04 A)
 &rst
  ixpk= 2524, nxpk= 20, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   77 ASN  HN           76 VAL  MGX         5.50    (#   2525:20  Unique         2.70, 4.15 A)
 &rst
  ixpk= 2525, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    9 LYS  HN           76 VAL  MGX         3.50    (#   2526:20  Unique         3.56, 5.01 A)
 &rst
  ixpk= 2526, nxpk= 20, iat= 119,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:2527    76 VAL  MGX         3.50    (#   2527:20  Single Ambig)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 203, 204, 109, 110,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  20-2:2528    76 VAL  MGX         3.50    (#   2528:20  Single Ambig)
 &rst
  ixpk= 2528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 206, 207, 208, 199, 200, 201,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   76 VAL  HN           76 VAL  MGY         4.50    (#   2530:20  Unique         2.27, 4.04 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   13 LEU  HN           76 VAL  MGY         5.50    (#   2531:20  Unique         3.20, 5.28 A)
 &rst
  ixpk= 2531, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1145,1146,1147,1149,1150,1151,
 &end
#
#   77 ASN  HD2-         77 ASN  HB+         5.50    (#   2532:20  Unique         2.41, 3.14 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   77 ASN  HN           77 ASN  HB-         7.00    (#   2533:20  Unique         2.87, 3.14 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1159,1160,
 &end
#
#   13 LEU  MDY          78 ASN  HA          2.80    (#   2534:20  Unique         2.19, 4.60 A)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   80 LEU  HG           78 ASN  HA          5.50    (#   2535:20  Unique         4.26, 4.91 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=1201,1171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  HG           78 ASN  HA          5.50    (#   2536:20  Unique         3.23, 3.84 A)
 &rst
  ixpk= 2536, nxpk= 20, iat= 181,1171, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   78 ASN  HB+          78 ASN  HA          3.50    (#   2537:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1173,1174,
 &end
#
#   13 LEU  HB-          78 ASN  HA          4.50    (#   2538:20  Unique         2.54, 3.50 A)
 &rst
  ixpk= 2538, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 178, 179,
 &end
#
#   78 ASN  HB-          78 ASN  HA          2.80    (#   2539:20  Unique         2.49, 2.78 A)
 &rst
  ixpk= 2539, nxpk= 20, iat=  -1,1171, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1173,1174,
 &end
#
#   79 SER  HN           78 ASN  HA          2.80    (#   2541:20  Unique         2.27, 2.55 A)
 &rst
  ixpk= 2541, nxpk= 20, iat=1183,1171, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 ASN  HN           78 ASN  HA          4.50    (#   2542:20  Unique         2.91, 2.93 A)
 &rst
  ixpk= 2542, nxpk= 20, iat=1169,1171, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2543    79 SER  HA          7.00    (#   2543:20  Single Ambig)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1,1185, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1238,1164,1165,
 &end
#
#   79 SER  HN           79 SER  HB-         3.50    (#   2544:20  Unique         2.54, 3.07 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=1183,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1187,1188,
 &end
#
#   80 LEU  HB+          80 LEU  HA          2.80    (#   2545:20  Unique         2.34, 2.71 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1198,1199,
 &end
#
#   80 LEU  HN           80 LEU  HA          4.50    (#   2546:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=1194,1196, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 MET  HN           99 MET  HA          2.80    (#   2547:20  Unique         2.86, 2.86 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 VAL  HN           99 MET  HA          4.50    (#   2549:20  Unique         3.51, 3.58 A)
 &rst
  ixpk= 2549, nxpk= 20, iat=1518,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 TYR  HE           80 LEU  HG          7.00    (#   2551:20  Unique         4.48, 6.76 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1,1201, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1267,1272,
 &end
#
#   80 LEU  HN           80 LEU  MDX         7.00    (#   2554:20  Unique         2.98, 4.14 A)
 &rst
  ixpk= 2554, nxpk= 20, iat=1194,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   79 SER  HB+          80 LEU  MDY         5.50    (#   2556:20  Unique         3.02, 6.36 A)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1187,1188,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#  118 THR  HB           80 LEU  MDY         5.50    (#   2558:20  Unique         2.11, 4.14 A)
 &rst
  ixpk= 2558, nxpk= 20, iat=1818,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HN           80 LEU  MDY         5.50    (#   2560:20  Unique         2.98, 4.14 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=1194,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:2561    80 LEU  MDY         4.50    (#   2561:20  Single Ambig)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1828,1909,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   84 TYR  HH           80 LEU  MDY         3.50    (#   2562:20  Unique         3.16, 4.95 A)
 &rst
  ixpk= 2562, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   81 ASP  HB+          81 ASP  HA          3.50    (#   2563:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 2563, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1217,1218,
 &end
#
#   81 ASP  HB-          81 ASP  HA          3.50    (#   2564:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 2564, nxpk= 20, iat=  -1,1215, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1217,1218,
 &end
#
#   81 ASP  HN           81 ASP  HA          3.50    (#   2565:20  Unique         2.81, 2.86 A)
 &rst
  ixpk= 2565, nxpk= 20, iat=1213,1215, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 ASP  HA           81 ASP  HB-         3.50    (#   2566:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 2566, nxpk= 20, iat=1215,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1217,1218,
 &end
#
#   82 HIS  HB-          81 ASP  HB-         4.50    (#   2568:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1229,1230,
 igr2=1217,1218,
 &end
#
#   82 HIS  HB-          81 ASP  HB+         4.50    (#   2569:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 2569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1229,1230,
 igr2=1217,1218,
 &end
#
#   82 HIS  HB-          82 HIS  HA          2.80    (#   2570:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,1227, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1229,1230,
 &end
#
#   81 ASP  HB-          82 HIS  HB-         3.50    (#   2571:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1217,1218,
 igr2=1229,1230,
 &end
#
#   81 ASP  HB-          82 HIS  HB+         4.50    (#   2572:20  Unique         3.69, 5.13 A)
 &rst
  ixpk= 2572, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1217,1218,
 igr2=1229,1230,
 &end
#
#   80 LEU  HB-          83 GLU  HB+         2.80    (#   2573:20  Unique         2.89, 4.46 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1198,1199,
 igr2=1246,1247,
 &end
#
#   85 GLN  HB+          85 GLN  HA          2.80    (#   2574:20  Unique         2.45, 2.80 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1282,1283,
 &end
#
#   85 GLN  HG+          85 GLN  HA          2.80    (#   2575:20  Unique         2.40, 3.31 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1285,1286,
 &end
#
#   86 PRO  HD-          85 GLN  HA          2.80    (#   2576:20  Unique         2.04, 2.53 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1296,1297,
 &end
#
#   86 PRO  HD+          85 GLN  HA          2.80    (#   2577:20  Unique         2.04, 2.53 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,1280, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1296,1297,
 &end
#
#   85 GLN  HN           85 GLN  HA          5.50    (#   2578:20  Unique         2.84, 2.88 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=1278,1280, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 PRO  HD+          88 PRO  HG-         2.80    (#   2580:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1334,1335,
 igr2=1337,1338,
 &end
#
#   59 GLU  HA          103 LYS  HD+         5.50    (#   2581:20  Unique         4.63, 5.45 A)
 &rst
  ixpk= 2581, nxpk= 20, iat= 866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1568,1569,
 &end
#
#   66 GLU  HN           64 ARG  HB-         3.50    (#   2582:20  Unique         2.87, 3.69 A)
 &rst
  ixpk= 2582, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 960, 961,
 &end
#
#   88 PRO  HA           89 VAL  HB          4.50    (#   2583:20  Unique         4.40, 4.47 A)
 &rst
  ixpk= 2583, nxpk= 20, iat=1343,1351, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 ARG  HG+          62 ARG  HB-         2.80    (#   2584:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 924, 925,
 igr2= 921, 922,
 &end
#
#   85 GLN  HG+          86 PRO  HG+         5.50    (#   2587:20  Unique         5.94, 6.90 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1299,1300,
 &end
#
#   23 HIS  HD2          38 PRO  HB+         7.00    (#   2591:20  Unique         4.18, 5.88 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 365,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 597, 598,
 &end
#
#    0 AMB  20-2:2592     0 AMB  20-1:2592   5.50    (#   2592:20  Double Ambig)
 &rst
  ixpk= 2592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 591, 592, 622, 623,
 igr2= 597, 598, 597, 598,
 &end
#
#   87 ARG  HN           87 ARG  HG-         4.50    (#   2593:20  Unique         2.47, 3.59 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1316,1317,
 &end
#
#   87 ARG  HN           87 ARG  HG+         4.50    (#   2594:20  Unique         2.47, 3.59 A)
 &rst
  ixpk= 2594, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1316,1317,
 &end
#
#   87 ARG  HB+          87 ARG  HD-         3.50    (#   2595:20  Unique         2.43, 3.46 A)
 &rst
  ixpk= 2595, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1313,1314,
 igr2=1319,1320,
 &end
#
#    0 AMB  20-2:2596     0 AMB  20-1:2596   3.50    (#   2596:20  Double Ambig)
 &rst
  ixpk= 2596, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1316,1317,1313,1314,
 igr2=1319,1320,1319,1320,
 &end
#
#   88 PRO  HD+          88 PRO  HB+         7.00    (#   2597:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 2597, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   91 VAL  HN           88 PRO  HB-         5.50    (#   2598:20  Unique         2.84, 4.02 A)
 &rst
  ixpk= 2598, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1340,1341,
 &end
#
#   91 VAL  HN           88 PRO  HB+         4.50    (#   2599:20  Unique         2.84, 4.02 A)
 &rst
  ixpk= 2599, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1340,1341,
 &end
#
#   89 VAL  HN           88 PRO  HB+         7.00    (#   2600:20  Unique         3.70, 4.04 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1347,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1340,1341,
 &end
#
#   90 GLU  HN           88 PRO  HB-         7.00    (#   2601:20  Unique         3.53, 4.32 A)
 &rst
  ixpk= 2601, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1340,1341,
 &end
#
#   90 GLU  HG+          88 PRO  HB-         7.00    (#   2602:20  Unique         2.46, 4.01 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1370,1371,
 igr2=1340,1341,
 &end
#
#    0 AMB  20-2:2603     0 AMB  20-1:2603   7.00    (#   2603:20  Double Ambig)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 129, 130,1370,1371,
 igr2= 123, 124,1340,1341,
 &end
#
#   88 PRO  HD-          88 PRO  HB+         7.00    (#   2604:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1334,1335,
 igr2=1340,1341,
 &end
#
#   88 PRO  HA           88 PRO  HB+         3.50    (#   2605:20  Unique         2.28, 2.52 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=1343,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1340,1341,
 &end
#
#   88 PRO  HB+          88 PRO  HG-         2.80    (#   2606:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#   88 PRO  HB-          88 PRO  HG-         2.80    (#   2607:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1340,1341,
 igr2=1337,1338,
 &end
#
#    0 AMB  20-2:2611    89 VAL  HA          4.50    (#   2611:20  Single Ambig)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,1349, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 157, 158,1396,
 &end
#
#   91 VAL  HN           89 VAL  HA          7.00    (#   2613:20  Unique         3.94, 4.12 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=1378,1349, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:2614     0 AMB  20-1:2614   2.80    (#   2614:20  Double Ambig)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 513,1351,
 igr2= 397, 398, 399,1353,1354,1355,1357,1358,1359,
 &end
#
#   89 VAL  HA           89 VAL  MGY         2.80    (#   2615:20  Unique         2.35, 3.33 A)
 &rst
  ixpk= 2615, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   90 GLU  HN           89 VAL  MGY         4.50    (#   2616:20  Unique         2.46, 4.33 A)
 &rst
  ixpk= 2616, nxpk= 20, iat=1363,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   11 GLY  HA-          89 VAL  MGY         7.00    (#   2619:20  Unique         2.15, 4.42 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 157, 158,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   91 VAL  HA           90 GLU  HA          5.50    (#   2620:20  Unique         4.69, 4.74 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=1380,1365, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 GLU  HB-          90 GLU  HG+         2.80    (#   2623:20  Unique         2.26, 2.75 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1367,1368,
 igr2=1370,1371,
 &end
#
#   92 ILE  HG1+         90 GLU  HG+         5.50    (#   2625:20  Unique         5.93, 7.31 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1404,1405,
 igr2=1370,1371,
 &end
#
#   91 VAL  HB           91 VAL  HA          3.50    (#   2626:20  Unique         3.02, 3.03 A)
 &rst
  ixpk= 2626, nxpk= 20, iat=1382,1380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HN           91 VAL  HA          3.50    (#   2627:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=1378,1380, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 SER  HN           91 VAL  HA          5.50    (#   2628:20  Unique         3.10, 3.29 A)
 &rst
  ixpk= 2628, nxpk= 20, iat=1432,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   92 ILE  HN           91 VAL  HA          5.50    (#   2629:20  Unique         3.58, 3.60 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=1394,1380, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   88 PRO  HD-          91 VAL  HB          4.50    (#   2630:20  Unique         3.48, 4.35 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=  -1,1382, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1334,1335,
 &end
#
#  101 GLY  HN          100 VAL  MGY         2.80    (#   2632:20  Unique         2.56, 4.07 A)
 &rst
  ixpk= 2632, nxpk= 20, iat=1534,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   62 ARG  HN          100 VAL  MGY         3.50    (#   2633:20  Unique         3.23, 4.18 A)
 &rst
  ixpk= 2633, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   88 PRO  HB+          91 VAL  MGX         3.50    (#   2634:20  Unique         2.33, 5.47 A)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1340,1341,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   34 ILE  HG1+        100 VAL  MGY         4.50    (#   2635:20  Unique         2.35, 4.88 A)
 &rst
  ixpk= 2635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 535, 536,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  124 LYS  HA           91 VAL  MGY         5.50    (#   2637:20  Unique         2.44, 5.75 A)
 &rst
  ixpk= 2637, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1384,1385,1386,1388,1389,1390,
 &end
#
#   89 VAL  HA           92 ILE  HA          5.50    (#   2638:20  Unique         4.99, 5.21 A)
 &rst
  ixpk= 2638, nxpk= 20, iat=1349,1396, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 SER  HB-          92 ILE  HA          4.50    (#   2639:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,1396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1447,1448,
 &end
#
#   93 ILE  QD1          92 ILE  HB          5.50    (#   2640:20  Unique         2.53, 5.08 A)
 &rst
  ixpk= 2640, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1426,1427,1428,
 &end
#
#   92 ILE  HN           92 ILE  HG1-        4.50    (#   2641:20  Unique         1.91, 2.58 A)
 &rst
  ixpk= 2641, nxpk= 20, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   92 ILE  HN           92 ILE  QG2         4.50    (#   2642:20  Unique         4.46, 4.59 A)
 &rst
  ixpk= 2642, nxpk= 20, iat=1394,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1400,1401,1402,
 &end
#
#   91 VAL  HN           92 ILE  QD1         5.50    (#   2643:20  Unique         5.79, 6.26 A)
 &rst
  ixpk= 2643, nxpk= 20, iat=1378,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1407,1408,1409,
 &end
#
#   89 VAL  HB           92 ILE  QD1         4.50    (#   2644:20  Unique         3.46, 5.22 A)
 &rst
  ixpk= 2644, nxpk= 20, iat=1351,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1407,1408,1409,
 &end
#
#    0 AMB  20-2:2645    92 ILE  QD1         5.50    (#   2645:20  Single Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1302,1303,1417,
 igr2=1407,1408,1409,
 &end
#
#   92 ILE  HG1-         92 ILE  QD1         2.80    (#   2646:20  Unique         2.33, 2.66 A)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1404,1405,
 igr2=1407,1408,1409,
 &end
#
#   92 ILE  QG2          92 ILE  QD1         3.50    (#   2647:20  Preassigned    2.21, 3.68 A)
 &rst
  ixpk= 2647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1400,1401,1402,
 igr2=1407,1408,1409,
 &end
#
#   93 ILE  HG1-         93 ILE  HA          3.50    (#   2648:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1423,1424,
 &end
#
#   97 LYS  HN           93 ILE  HA          4.50    (#   2649:20  Unique         3.88, 3.94 A)
 &rst
  ixpk= 2649, nxpk= 20, iat=1464,1415, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 VAL  MGX          93 ILE  HG1-        2.80    (#   2650:20  Unique         2.80, 5.57 A)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1353,1354,1355,1357,1358,1359,
 igr2=1423,1424,
 &end
#
#   90 GLU  HA           93 ILE  HG1+        5.50    (#   2651:20  Unique         3.10, 4.83 A)
 &rst
  ixpk= 2651, nxpk= 20, iat=1365,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1423,1424,
 &end
#
#   28 ILE  HA           93 ILE  HG1+        7.00    (#   2652:20  Unique         2.36, 3.25 A)
 &rst
  ixpk= 2652, nxpk= 20, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1423,1424,
 &end
#
#   28 ILE  HA           93 ILE  HG1-        7.00    (#   2653:20  Unique         2.36, 3.25 A)
 &rst
  ixpk= 2653, nxpk= 20, iat= 445,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1423,1424,
 &end
#
#   94 SER  HN           93 ILE  HG1-        7.00    (#   2654:20  Unique         4.60, 4.90 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1423,1424,
 &end
#
#   96 ALA  MB           34 ILE  QG2         2.80    (#   2655:20  Unique         2.24, 4.12 A)
 &rst
  ixpk= 2655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1458,1459,1460,
 igr2= 531, 532, 533,
 &end
#
#   97 LYS  HE+          93 ILE  QG2         3.50    (#   2656:20  Unique         2.28, 3.70 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1477,1478,
 igr2=1419,1420,1421,
 &end
#
#   93 ILE  HN           93 ILE  QG2         4.50    (#   2657:20  Unique         4.12, 4.40 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=1413,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1419,1420,1421,
 &end
#
#   93 ILE  HB           93 ILE  QD1         2.80    (#   2659:20  Unique         2.48, 3.23 A)
 &rst
  ixpk= 2659, nxpk= 20, iat=1417,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1426,1427,1428,
 &end
#
#   94 SER  HN           93 ILE  QD1         5.50    (#   2660:20  Unique         4.84, 5.77 A)
 &rst
  ixpk= 2660, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1426,1427,1428,
 &end
#
#    0 AMB  20-2:2661    93 ILE  QD1         7.00    (#   2661:20  Single Ambig)
 &rst
  ixpk= 2661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 443,1464,
 igr2=1426,1427,1428,
 &end
#
#   93 ILE  HN           94 SER  HA          5.50    (#   2662:20  Unique         5.40, 5.43 A)
 &rst
  ixpk= 2662, nxpk= 20, iat=1413,1434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 SER  HB+          95 SER  HA          2.80    (#   2663:20  Unique         2.31, 2.77 A)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,1445, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1447,1448,
 &end
#
#    0 AMB  20-2:2664    94 SER  HA          5.50    (#   2664:20  Single Ambig)
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1,1434, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1380,1447,1448,
 &end
#
#   92 ILE  HA           95 SER  HB+         5.50    (#   2665:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 2665, nxpk= 20, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1447,1448,
 &end
#
#   92 ILE  HA           95 SER  HB-         7.00    (#   2666:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 2666, nxpk= 20, iat=1396,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1447,1448,
 &end
#
#   96 ALA  HN           95 SER  HB+         4.50    (#   2668:20  Unique         2.52, 3.15 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1447,1448,
 &end
#
#   96 ALA  HN           95 SER  HB-         4.50    (#   2669:20  Unique         2.52, 3.15 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=1454,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1447,1448,
 &end
#
#  100 VAL  HN           96 ALA  HA          7.00    (#   2672:20  Unique         3.88, 4.15 A)
 &rst
  ixpk= 2672, nxpk= 20, iat=1518,1456, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   34 ILE  QG2          96 ALA  MB          3.50    (#   2673:20  Unique         2.24, 4.12 A)
 &rst
  ixpk= 2673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 531, 532, 533,
 igr2=1458,1459,1460,
 &end
#
#   96 ALA  HA           96 ALA  MB          2.80    (#   2674:20  Unique         2.41, 2.68 A)
 &rst
  ixpk= 2674, nxpk= 20, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1458,1459,1460,
 &end
#
#   97 LYS  HD+          97 LYS  HA          4.50    (#   2675:20  Unique         4.40, 4.52 A)
 &rst
  ixpk= 2675, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1474,1475,
 &end
#
#  100 VAL  MGY          97 LYS  HA          5.50    (#   2676:20  Unique         2.62, 4.41 A)
 &rst
  ixpk= 2676, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   96 ALA  MB           97 LYS  HA          7.00    (#   2677:20  Unique         4.30, 4.98 A)
 &rst
  ixpk= 2677, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1458,1459,1460,
 &end
#
#    0 AMB  20-2:2678    97 LYS  HA          2.80    (#   2678:20  Single Ambig)
 &rst
  ixpk= 2678, nxpk= 20, iat=  -1,1466, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1468,1469,1468,1469,
 &end
#
#   97 LYS  HE-          97 LYS  HG-         4.50    (#   2680:20  Unique         2.42, 2.81 A)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1477,1478,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:2681     0 AMB  20-1:2681   2.80    (#   2681:20  Double Ambig)
 &rst
  ixpk= 2681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1468,1469,1468,1469,
 igr2=1471,1472,1471,1472,
 &end
#
#   28 ILE  QD1          97 LYS  HD+         5.50    (#   2683:20  Unique         4.94, 6.13 A)
 &rst
  ixpk= 2683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 456, 457, 458,
 igr2=1474,1475,
 &end
#
#    0 AMB  20-2:2684     0 AMB  20-1:2684   3.50    (#   2684:20  Double Ambig)
 &rst
  ixpk= 2684, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 538, 539, 540, 449, 450, 451,1426,1427,1428,
 igr2=1474,1475,1474,1475,1474,1475,
 &end
#
#    0 AMB  20-2:2686     0 AMB  20-1:2686   2.80    (#   2686:20  Double Ambig)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1493,1494,1493,1494,
 igr2=1490,1491,1490,1491,
 &end
#
#    0 AMB  20-2:2687     0 AMB  20-1:2687   5.50    (#   2687:20  Double Ambig)
 &rst
  ixpk= 2687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1508,1509,1508,1509,
 igr2=1490,1491,1490,1491,
 &end
#
#    0 AMB  20-2:2688     0 AMB  20-1:2688   7.00    (#   2688:20  Double Ambig)
 &rst
  ixpk= 2688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1=1471,1472,1471,1472,
 igr2=1490,1491,1490,1491,
 &end
#
#    0 AMB  20-2:2689    98 GLU  HG-         2.80    (#   2689:20  Single Ambig)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1490,1491,1490,1491,
 igr2=1493,1494,
 &end
#
#    0 AMB  20-2:2690     0 AMB  20-1:2690   2.80    (#   2690:20  Double Ambig)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1490,1491,1490,1491,
 igr2=1493,1494,1493,1494,
 &end
#
#   96 ALA  HA           99 MET  HG+         4.50    (#   2691:20  Unique         3.62, 3.97 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=1456,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1508,1509,
 &end
#
#  116 PHE  HE           99 MET  HG+         4.50    (#   2692:20  Unique         2.40, 5.28 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1788,1792,
 igr2=1508,1509,
 &end
#
#   99 MET  HN           99 MET  ME          5.50    (#   2693:20  Unique         5.51, 5.99 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1512,1513,1514,
 &end
#
#  116 PHE  HD           99 MET  ME          4.50    (#   2694:20  Unique         2.53, 5.06 A)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1786,1794,
 igr2=1512,1513,1514,
 &end
#
#  116 PHE  HE           99 MET  ME          3.50    (#   2695:20  Unique         2.22, 4.96 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1788,1792,
 igr2=1512,1513,1514,
 &end
#
#   99 MET  HA           99 MET  ME          4.50    (#   2696:20  Unique         3.72, 4.53 A)
 &rst
  ixpk= 2696, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1512,1513,1514,
 &end
#
#   99 MET  HG+          99 MET  ME          3.50    (#   2697:20  Unique         2.37, 3.59 A)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1508,1509,
 igr2=1512,1513,1514,
 &end
#
#   99 MET  HG-          99 MET  ME          5.50    (#   2698:20  Unique         2.37, 3.59 A)
 &rst
  ixpk= 2698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1508,1509,
 igr2=1512,1513,1514,
 &end
#
#   60 VAL  MGY          99 MET  ME          2.80    (#   2699:20  Unique         2.62, 5.50 A)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 885, 886, 887, 889, 890, 891,
 igr2=1512,1513,1514,
 &end
#
#  120 LEU  MDX          99 MET  ME          2.80    (#   2700:20  Unique         3.17, 5.84 A)
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1854,1855,1856,1858,1859,1860,
 igr2=1512,1513,1514,
 &end
#
#   34 ILE  QG2         100 VAL  HA          5.50    (#   2701:20  Unique         3.82, 4.83 A)
 &rst
  ixpk= 2701, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 531, 532, 533,
 &end
#
#    0 AMB  20-2:2702   100 VAL  HA          5.50    (#   2702:20  Single Ambig)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,1520, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1536,1537,1466,
 &end
#
#  101 GLY  HA-         100 VAL  MGX         5.50    (#   2703:20  Unique         3.66, 5.63 A)
 &rst
  ixpk= 2703, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1536,1537,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   61 LYS  HN          100 VAL  MGX         5.50    (#   2704:20  Unique         3.61, 5.33 A)
 &rst
  ixpk= 2704, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   62 ARG  HN          100 VAL  MGX         7.00    (#   2705:20  Unique         3.23, 4.18 A)
 &rst
  ixpk= 2705, nxpk= 20, iat= 917,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  HN          100 VAL  MGY         3.50    (#   2707:20  Unique         2.16, 3.93 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  101 GLY  HA-         100 VAL  MGY         4.50    (#   2708:20  Unique         3.66, 5.63 A)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1536,1537,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   59 GLU  HG+         101 GLY  HA-         7.00    (#   2709:20  Unique         3.25, 4.62 A)
 &rst
  ixpk= 2709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 871, 872,
 igr2=1536,1537,
 &end
#
#  103 LYS  HN          102 GLN  HA          2.80    (#   2711:20  Unique         2.17, 2.29 A)
 &rst
  ixpk= 2711, nxpk= 20, iat=1558,1543, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 GLY  HN          102 GLN  HA          7.00    (#   2712:20  Unique         5.09, 5.13 A)
 &rst
  ixpk= 2712, nxpk= 20, iat=1534,1543, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   99 MET  HA          102 GLN  HB-         5.50    (#   2714:20  Unique         3.20, 4.05 A)
 &rst
  ixpk= 2714, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1545,1546,
 &end
#
#  102 GLN  HE2+        102 GLN  HA          7.00    (#   2715:20  Unique         5.26, 5.71 A)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1553,1554,
 &end
#
#   57 SER  HB-         103 LYS  HD+         5.50    (#   2716:20  Unique         2.86, 4.83 A)
 &rst
  ixpk= 2716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 847, 848,
 igr2=1568,1569,
 &end
#
#  103 LYS  HN          103 LYS  HD+         4.50    (#   2717:20  Unique         2.64, 4.74 A)
 &rst
  ixpk= 2717, nxpk= 20, iat=1558,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#  103 LYS  HA          103 LYS  HE+         4.50    (#   2719:20  Unique         4.27, 5.04 A)
 &rst
  ixpk= 2719, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1571,1572,
 &end
#
#    0 AMB  20-2:2720   104 MET  HB-         7.00    (#   2720:20  Single Ambig)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1580, 854,
 igr2=1584,1585,
 &end
#
#  104 MET  HA          104 MET  ME          5.50    (#   2721:20  Unique         4.19, 5.29 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=1582,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1591,1592,1593,
 &end
#
#  105 LYS  HE+         105 LYS  HG+         3.50    (#   2724:20  Unique         2.42, 3.00 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1610,1611,
 igr2=1604,1605,
 &end
#
#  103 LYS  HA          103 LYS  HG-         4.50    (#   2725:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 2725, nxpk= 20, iat=1560,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1565,1566,
 &end
#
#   87 ARG  HN           87 ARG  HB+         5.50    (#   2726:20  Unique         2.15, 3.10 A)
 &rst
  ixpk= 2726, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1313,1314,
 &end
#
#    0 AMB  20-2:2727     0 AMB  20-1:2727   3.50    (#   2727:20  Double Ambig)
 &rst
  ixpk= 2727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
 igr1=1604,1605,1458,1459,1460,1920,1921,
 igr2=1607,1608, 535, 536,1313,1314,
 &end
#
#   40 SER  HN           40 SER  HA          5.50    (#   2728:20  Unique         2.28, 2.88 A)
 &rst
  ixpk= 2728, nxpk= 20, iat= 618, 620, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   42 TYR  HB+          42 TYR  HA          4.50    (#   2730:20  Unique         2.31, 2.70 A)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 648, 649,
 &end
#
#   43 PRO  HD+          42 TYR  HA          3.50    (#   2731:20  Unique         2.01, 2.63 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 666, 667,
 &end
#
#   42 TYR  HD           42 TYR  HA          4.50    (#   2732:20  Unique         2.33, 3.63 A)
 &rst
  ixpk= 2732, nxpk= 20, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 652, 661,
 &end
#
#   42 TYR  HN           42 TYR  HA          3.50    (#   2733:20  Unique         2.19, 2.81 A)
 &rst
  ixpk= 2733, nxpk= 20, iat= 644, 646, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:2734    42 TYR  HA          7.00    (#   2734:20  Single Ambig)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 648, 649, 833, 834,
 &end
#
#   36 LEU  MDY         113 CYS  HA          3.50    (#   2735:20  Unique         2.13, 4.51 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#  113 CYS  HB-         113 CYS  HA          3.50    (#   2736:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,1737, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1739,1740,
 &end
#
#   36 LEU  HN          113 CYS  HB-         5.50    (#   2741:20  Unique         3.01, 4.41 A)
 &rst
  ixpk= 2741, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1739,1740,
 &end
#
#   36 LEU  HN          113 CYS  HB+         7.00    (#   2742:20  Unique         3.01, 4.41 A)
 &rst
  ixpk= 2742, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1739,1740,
 &end
#
#  114 GLU  HG-         114 GLU  HA          3.50    (#   2743:20  Unique         2.33, 3.23 A)
 &rst
  ixpk= 2743, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1753,1754,
 &end
#
#   24 TRP  HB+         114 GLU  HA          3.50    (#   2744:20  Unique         2.34, 2.99 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,1748, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 373, 374,
 &end
#
#  114 GLU  HN          114 GLU  HB-         5.50    (#   2745:20  Unique         2.38, 2.84 A)
 &rst
  ixpk= 2745, nxpk= 20, iat=1746,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1750,1751,
 &end
#
#  114 GLU  HA          114 GLU  HB-         5.50    (#   2746:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 2746, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1750,1751,
 &end
#
#  114 GLU  HA          114 GLU  HB+         5.50    (#   2747:20  Unique         2.18, 2.64 A)
 &rst
  ixpk= 2747, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1750,1751,
 &end
#
#  114 GLU  HN          114 GLU  HB+         4.50    (#   2748:20  Unique         2.38, 2.84 A)
 &rst
  ixpk= 2748, nxpk= 20, iat=1746,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1750,1751,
 &end
#
#  114 GLU  HA          114 GLU  HG+         5.50    (#   2749:20  Unique         2.33, 3.23 A)
 &rst
  ixpk= 2749, nxpk= 20, iat=1748,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1753,1754,
 &end
#
#   53 VAL  HN            0 AMB  20-1:2751   5.50    (#   2751:20  Single Ambig)
 &rst
  ixpk= 2751, nxpk= 20, iat= 783,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 774, 727,
 &end
#
#   49 SER  HA            0 AMB  20-1:2752   2.80    (#   2752:20  Single Ambig)
 &rst
  ixpk= 2752, nxpk= 20, iat= 727,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 729, 730, 776, 777,
 &end
#
#  116 PHE  HN          115 HIS  HB-         4.50    (#   2753:20  Unique         2.59, 3.35 A)
 &rst
  ixpk= 2753, nxpk= 20, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1765,1766,
 &end
#
#  115 HIS  HN          115 HIS  HB-         4.50    (#   2754:20  Unique         2.22, 2.76 A)
 &rst
  ixpk= 2754, nxpk= 20, iat=1761,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1765,1766,
 &end
#
#  115 HIS  HD2         115 HIS  HB+         4.50    (#   2755:20  Unique         2.54, 3.25 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=1774,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1765,1766,
 &end
#
#  116 PHE  HN          116 PHE  HB+         3.50    (#   2757:20  Unique         2.20, 2.52 A)
 &rst
  ixpk= 2757, nxpk= 20, iat=1778,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1782,1783,
 &end
#
#  100 VAL  HA           60 VAL  HB          2.80    (#   2759:20  Unique         2.25, 2.38 A)
 &rst
  ixpk= 2759, nxpk= 20, iat=1520, 883, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:2760     0 AMB  20-1:2760   7.00    (#   2760:20  Double Ambig)
 &rst
  ixpk= 2760, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 405,1560,
 igr2=1802, 883,
 &end
#
#    0 AMB  20-2:2761     0 AMB  20-1:2761   7.00    (#   2761:20  Double Ambig)
 &rst
  ixpk= 2761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.90, r4=10.65,
 igr1=1798,1518,1788,1792,
 igr2=1802, 883,
 &end
#
#  116 PHE  HD          117 VAL  MGY         5.50    (#   2763:20  Unique         2.24, 5.64 A)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1786,1794,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#   25 ALA  HN          117 VAL  MGY         5.50    (#   2764:20  Unique         3.09, 4.56 A)
 &rst
  ixpk= 2764, nxpk= 20, iat= 393,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1804,1805,1806,1808,1809,1810,
 &end
#
#  121 ARG  HN          120 LEU  HA          7.00    (#   2768:20  Unique         3.50, 3.53 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=1864,1847, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  119 GLN  HG-         119 GLN  HA          4.50    (#   2769:20  Unique         2.39, 3.01 A)
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1835,1836,
 &end
#
#    0 AMB  20-2:2770   119 GLN  HA          5.50    (#   2770:20  Single Ambig)
 &rst
  ixpk= 2770, nxpk= 20, iat=  -1,1830, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1818,1780,
 &end
#
#  119 GLN  HN          119 GLN  HA          2.80    (#   2771:20  Unique         2.82, 2.83 A)
 &rst
  ixpk= 2771, nxpk= 20, iat=1828,1830, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 ARG  HG-         121 ARG  HA          5.50    (#   2772:20  Unique         2.31, 2.80 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1871,1872,
 &end
#
#    0 AMB  20-2:2773   121 ARG  HB-         7.00    (#   2773:20  Single Ambig)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.33, r4=12.08,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 igr2=1868,1869,
 &end
#
#   13 LEU  MDX         121 ARG  HB-         7.00    (#   2774:20  Unique         2.81, 5.24 A)
 &rst
  ixpk= 2774, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1868,1869,
 &end
#
#  121 ARG  HA          121 ARG  HB-         5.50    (#   2775:20  Unique         2.43, 2.76 A)
 &rst
  ixpk= 2775, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1868,1869,
 &end
#
#   92 ILE  QD1         121 ARG  HG-         5.50    (#   2778:20  Unique         2.26, 4.10 A)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1407,1408,1409,
 igr2=1871,1872,
 &end
#
#  121 ARG  HB-         121 ARG  HG-         5.50    (#   2779:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1868,1869,
 igr2=1871,1872,
 &end
#
#  121 ARG  HB+         121 ARG  HG-         4.50    (#   2780:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 2780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1868,1869,
 igr2=1871,1872,
 &end
#
#  121 ARG  HA          121 ARG  HG-         7.00    (#   2782:20  Unique         2.31, 2.80 A)
 &rst
  ixpk= 2782, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1871,1872,
 &end
#
#  121 ARG  HA          121 ARG  HG+         4.50    (#   2783:20  Unique         2.31, 2.80 A)
 &rst
  ixpk= 2783, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1871,1872,
 &end
#
#   92 ILE  QD1         121 ARG  HG+         2.80    (#   2784:20  Unique         2.26, 4.10 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1407,1408,1409,
 igr2=1871,1872,
 &end
#
#   64 ARG  HB-          64 ARG  HD-         2.80    (#   2785:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 2785, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 960, 961,
 igr2= 966, 967,
 &end
#
#   64 ARG  HG+          64 ARG  HD+         2.80    (#   2786:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 963, 964,
 igr2= 966, 967,
 &end
#
#   64 ARG  HB-          64 ARG  HD+         2.80    (#   2787:20  Unique         2.40, 3.08 A)
 &rst
  ixpk= 2787, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 960, 961,
 igr2= 966, 967,
 &end
#
#   64 ARG  HG+          64 ARG  HD-         2.80    (#   2788:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 963, 964,
 igr2= 966, 967,
 &end
#
#   66 GLU  HB-          64 ARG  HD-         7.00    (#   2789:20  Unique         3.60, 5.96 A)
 &rst
  ixpk= 2789, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1003,1004,
 igr2= 966, 967,
 &end
#
#  122 TYR  HN          122 TYR  HB+         4.50    (#   2791:20  Unique         2.33, 2.50 A)
 &rst
  ixpk= 2791, nxpk= 20, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1892,1893,
 &end
#
#  124 LYS  HE+         124 LYS  HG+         4.50    (#   2793:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1929,1930,
 igr2=1923,1924,
 &end
#
#  124 LYS  HD-         124 LYS  HG+         2.80    (#   2794:20  Unique         2.25, 2.72 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1926,1927,
 igr2=1923,1924,
 &end
#
#  124 LYS  HA          124 LYS  HG+         5.50    (#   2795:20  Unique         2.60, 3.97 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1923,1924,
 &end
#
#  124 LYS  HN          124 LYS  HG+         7.00    (#   2796:20  Unique         2.03, 2.97 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1923,1924,
 &end
#
#  124 LYS  HN          124 LYS  HG-         7.00    (#   2797:20  Unique         2.03, 2.97 A)
 &rst
  ixpk= 2797, nxpk= 20, iat=1916,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1923,1924,
 &end
#
#  124 LYS  HA            0 AMB  20-1:2798   5.50    (#   2798:20  Single Ambig)
 &rst
  ixpk= 2798, nxpk= 20, iat=1918,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2=1926,1927,1926,1927,
 &end
#
#  124 LYS  HG-         124 LYS  HE-         5.50    (#   2799:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1923,1924,
 igr2=1929,1930,
 &end
#
#  124 LYS  HG+         124 LYS  HE-         5.50    (#   2800:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1923,1924,
 igr2=1929,1930,
 &end
#
#  124 LYS  HG+         124 LYS  HE+         5.50    (#   2801:20  Unique         2.28, 3.00 A)
 &rst
  ixpk= 2801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1923,1924,
 igr2=1929,1930,
 &end
#
#   16 ILE  HA           74 TYR  HB-         5.50    (#   2802:20  Unique         2.61, 2.91 A)
 &rst
  ixpk= 2802, nxpk= 20, iat= 229,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1098,1099,
 &end
#
#   57 SER  HN           57 SER  HB+         7.00    (#   2804:20  Unique         2.42, 3.25 A)
 &rst
  ixpk= 2804, nxpk= 20, iat= 843,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 847, 848,
 &end
#
#    0 AMB  20-2:2806   124 LYS  HB-         3.50    (#   2806:20  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1926,1927,1926,1927,
 igr2=1920,1921,
 &end
#
#   35 HIS  HD2          33 VAL  MGX         4.50    (#   2808:20  Unique         2.31, 4.72 A)
 &rst
  ixpk= 2808, nxpk= 20, iat= 557,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   74 TYR  HE           69 VAL  MGY         4.50    (#   2809:20  Unique         2.66, 5.32 A)
 &rst
  ixpk= 2809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1104,1109,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:2810    28 ILE  QD1         4.50    (#   2810:20  Single Ambig)
 &rst
  ixpk= 2810, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1477,1478, 473, 474,
 igr2= 456, 457, 458,
 &end
#
#   93 ILE  QD1          11 GLY  HA-         5.50    (#   2811:20  Unique         2.83, 4.53 A)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1426,1427,1428,
 igr2= 157, 158,
 &end
#
#   95 SER  HN           92 ILE  HA          7.00    (#   2814:20  Unique         3.51, 3.61 A)
 &rst
  ixpk= 2814, nxpk= 20, iat=1443,1396, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  116 PHE  HN          115 HIS  HA          7.00    (#   2815:20  Unique         3.42, 3.58 A)
 &rst
  ixpk= 2815, nxpk= 20, iat=1778,1763, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   73 CYS  HN           73 CYS  HA          4.50    (#   2820:20  Unique         2.92, 2.97 A)
 &rst
  ixpk= 2820, nxpk= 20, iat=1083,1085, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   87 ARG  HN           87 ARG  HA          4.50    (#   2821:20  Unique         2.91, 2.98 A)
 &rst
  ixpk= 2821, nxpk= 20, iat=1309,1311, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 PRO  HD-          43 PRO  HB+         7.00    (#   2824:20  Unique         2.77, 3.67 A)
 &rst
  ixpk= 2824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 666, 667,
 igr2= 672, 673,
 &end
#
#   96 ALA  HN           94 SER  HA          4.50    (#   2825:20  Unique         4.47, 4.51 A)
 &rst
  ixpk= 2825, nxpk= 20, iat=1454,1434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 ALA  HN           95 SER  HA          4.50    (#   2827:20  Unique         3.59, 3.62 A)
 &rst
  ixpk= 2827, nxpk= 20, iat=1454,1445, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 TYR  HD           21 TYR  HB+         3.50    (#   2828:20  Unique         2.33, 3.08 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 324, 333,
 igr2= 320, 321,
 &end
#
#   43 PRO  HD+          42 TYR  HB+         7.00    (#   2829:20  Unique         2.19, 3.94 A)
 &rst
  ixpk= 2829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 666, 667,
 igr2= 648, 649,
 &end
#
#   57 SER  HA          106 TYR  HB-         5.50    (#   2830:20  Unique         2.80, 4.81 A)
 &rst
  ixpk= 2830, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1623,1624,
 &end
#
#   43 PRO  HD-          42 TYR  HB+         3.50    (#   2831:20  Unique         2.19, 3.94 A)
 &rst
  ixpk= 2831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 666, 667,
 igr2= 648, 649,
 &end
#
#   42 TYR  HA           42 TYR  HB+         2.80    (#   2832:20  Preassigned    2.31, 2.70 A)
 &rst
  ixpk= 2832, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 648, 649,
 &end
#
#  106 TYR  HA          106 TYR  HB+         5.50    (#   2833:20  Unique         2.30, 2.56 A)
 &rst
  ixpk= 2833, nxpk= 20, iat=1621,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1623,1624,
 &end
#
#   57 SER  HA          106 TYR  HB+         5.50    (#   2834:20  Unique         2.80, 4.81 A)
 &rst
  ixpk= 2834, nxpk= 20, iat= 845,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1623,1624,
 &end
#
#  108 ILE  QG2         106 TYR  HB+         7.00    (#   2835:20  Unique         2.29, 5.68 A)
 &rst
  ixpk= 2835, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1657,1658,1659,
 igr2=1623,1624,
 &end
#
#   13 LEU  MDX         121 ARG  HD+         7.00    (#   2839:20  Unique         2.50, 5.62 A)
 &rst
  ixpk= 2839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1874,1875,
 &end
#
#   13 LEU  MDX         121 ARG  HD-         4.50    (#   2840:20  Unique         2.50, 5.62 A)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 183, 184, 185, 187, 188, 189,
 igr2=1874,1875,
 &end
#
#   84 TYR  HH           84 TYR  HB-         7.00    (#   2841:20  Unique         6.43, 6.59 A)
 &rst
  ixpk= 2841, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1261,1262,
 &end
#
#   84 TYR  HH           84 TYR  HB+         7.00    (#   2842:20  Unique         6.43, 6.59 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=1270,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1261,1262,
 &end
#
#   21 TYR  HN           20 GLY  HA+         4.50    (#   2845:20  Unique         2.11, 3.10 A)
 &rst
  ixpk= 2845, nxpk= 20, iat= 316,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 311, 312,
 &end
#
#   88 PRO  HB+          88 PRO  HD+         4.50    (#   2846:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 2846, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#   88 PRO  HB+          88 PRO  HD-         4.50    (#   2847:20  Unique         2.77, 3.71 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1340,1341,
 igr2=1334,1335,
 &end
#
#   36 LEU  HN           37 ALA  MB          5.50    (#   2848:20  Unique         5.62, 6.59 A)
 &rst
  ixpk= 2848, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 584, 585, 586,
 &end
#
#   36 LEU  HA           37 ALA  MB          5.50    (#   2849:20  Unique         4.35, 4.91 A)
 &rst
  ixpk= 2849, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 584, 585, 586,
 &end
#
#    0 AMB  20-2:2850     0 AMB  20-1:2850   2.80    (#   2850:20  Double Ambig)
 &rst
  ixpk= 2850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1145,1146,1147,1149,1150,1151, 183, 184, 185, 187,
       188, 189,
 igr2= 203, 204, 412, 413, 414, 416, 417, 418, 109, 110,
      
 &end
#
#    0 AMB  20-2:2851     0 AMB  20-1:2851   2.80    (#   2851:20  Double Ambig)
 &rst
  ixpk= 2851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.68, r4= 6.43,
 igr1= 989, 990, 991, 993, 994, 995, 410,
 igr2= 109, 110, 412, 413, 414, 416, 417, 418, 203, 204,
      
 &end
#
#   43 PRO  HB+          43 PRO  HA          2.80    (#   2852:20  Unique         2.29, 2.55 A)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1, 675, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 672, 673,
 &end
#
#   44 GLY  HN           43 PRO  HA          7.00    (#   2853:20  Unique         2.09, 2.51 A)
 &rst
  ixpk= 2853, nxpk= 20, iat= 679, 675, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:2854    39 PRO  HA          3.50    (#   2854:20  Single Ambig)
 &rst
  ixpk= 2854, nxpk= 20, iat=  -1, 614, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 608, 609, 633, 634,
 &end
#
#  122 TYR  HN          123 GLY  HA+         5.50    (#   2855:20  Unique         4.65, 5.28 A)
 &rst
  ixpk= 2855, nxpk= 20, iat=1888,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1911,1912,
 &end
#
#  116 PHE  HE          120 LEU  MDX         5.50    (#   2856:20  Unique         2.31, 4.51 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1792,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  HB-         120 LEU  MDX         3.50    (#   2857:20  Unique         2.40, 3.32 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1849,1850,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   72 CYS  HB+          69 VAL  MGY         5.50    (#   2858:20  Unique         2.30, 5.66 A)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1076,1077,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#  120 LEU  HN          120 LEU  MDX         4.50    (#   2859:20  Unique         3.32, 4.30 A)
 &rst
  ixpk= 2859, nxpk= 20, iat=1845,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#    7 GLU  HB-           8 PRO  HD-         3.50    (#   2860:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 2860, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  94,  95,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:2863     0 AMB  20-1:2863   7.00    (#   2863:20  Double Ambig)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.11, r4=11.86,
 igr1= 648, 649, 833, 834,
 igr2= 666, 667, 666, 667,
 &end
#
#    0 AMB  20-2:2865     0 AMB  20-1:2865   5.50    (#   2865:20  Double Ambig)
 &rst
  ixpk= 2865, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1141, 445,
 igr2= 203, 204, 453, 454,
 &end
#
#   32 TYR  HB-          28 ILE  HG1+        4.50    (#   2866:20  Unique         2.39, 3.00 A)
 &rst
  ixpk= 2866, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 492, 493,
 igr2= 453, 454,
 &end
#
#   33 VAL  HA           28 ILE  HG1+        5.50    (#   2867:20  Unique         2.86, 3.90 A)
 &rst
  ixpk= 2867, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 453, 454,
 &end
#
#   33 VAL  HA           28 ILE  HG1-        5.50    (#   2868:20  Unique         2.86, 3.90 A)
 &rst
  ixpk= 2868, nxpk= 20, iat= 511,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 453, 454,
 &end
#
#   28 ILE  HN           28 ILE  HG1-        5.50    (#   2869:20  Unique         2.15, 2.71 A)
 &rst
  ixpk= 2869, nxpk= 20, iat= 443,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 453, 454,
 &end
#
#   65 LEU  MDX           8 PRO  HG-         4.50    (#   2871:20  Unique         2.28, 4.67 A)
 &rst
  ixpk= 2871, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 989, 990, 991, 993, 994, 995,
 igr2= 109, 110,
 &end
#
#   92 ILE  HB           92 ILE  HG1-        4.50    (#   2872:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 2872, nxpk= 20, iat=1398,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1404,1405,
 &end
#
#   74 TYR  HE            8 PRO  HG-         5.50    (#   2873:20  Unique         3.07, 6.49 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1104,1109,
 igr2= 109, 110,
 &end
#
#    0 AMB  20-2:2875    38 PRO  HD-         3.50    (#   2875:20  Single Ambig)
 &rst
  ixpk= 2875, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 594, 595, 597, 598,
 igr2= 591, 592,
 &end
#
#    0 AMB  20-2:2876     0 AMB  20-1:2876   3.50    (#   2876:20  Double Ambig)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 594, 595, 597, 598,
 igr2= 591, 592, 591, 592,
 &end
#
#  121 ARG  HG-         121 ARG  HB-         7.00    (#   2878:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 2878, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1871,1872,
 igr2=1868,1869,
 &end
#
#   87 ARG  HD+          87 ARG  HG-         4.50    (#   2879:20  Unique         2.28, 2.70 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1319,1320,
 igr2=1316,1317,
 &end
#
#   97 LYS  HN           95 SER  HA          5.50    (#   2880:20  Unique         4.59, 4.64 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=1464,1445, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2881    89 VAL  MGY         4.50    (#   2881:20  Single Ambig)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1413, 162,
 igr2=1353,1354,1355,1357,1358,1359,
 &end
#
#   50 VAL  HN           50 VAL  HA          5.50    (#   2883:20  Unique         2.24, 2.86 A)
 &rst
  ixpk= 2883, nxpk= 20, iat= 736, 738, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2884    10 PRO  HD-         2.80    (#   2884:20  Single Ambig)
 &rst
  ixpk= 2884, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 123, 124, 148, 149,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:2885    10 PRO  HD-         2.80    (#   2885:20  Single Ambig)
 &rst
  ixpk= 2885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 123, 124, 148, 149,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:2886    54 LEU  HG          2.80    (#   2886:20  Single Ambig)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1, 806, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
       813, 814,
 &end
#
#   54 LEU  HB+          54 LEU  HA          2.80    (#   2887:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 2887, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 803, 804,
 &end
#
#   10 PRO  HA            9 LYS  HD+         5.50    (#   2890:20  Unique         4.46, 6.08 A)
 &rst
  ixpk= 2890, nxpk= 20, iat= 151,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 129, 130,
 &end
#
#   87 ARG  HN           87 ARG  HG-         4.50    (#   2891:20  Unique         2.47, 3.59 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=1309,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1316,1317,
 &end
#
#   92 ILE  QG2          92 ILE  HG1-        3.50    (#   2893:20  Unique         2.50, 3.55 A)
 &rst
  ixpk= 2893, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1400,1401,1402,
 igr2=1404,1405,
 &end
#
#   80 LEU  MDX          83 GLU  HB+         3.50    (#   2895:20  Unique         3.13, 5.29 A)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1203,1204,1205,1207,1208,1209,
 igr2=1246,1247,
 &end
#
#   76 VAL  MGX           8 PRO  HD+         7.00    (#   2898:20  Unique         2.91, 6.06 A)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:2900    10 PRO  HD-         4.50    (#   2900:20  Single Ambig)
 &rst
  ixpk= 2900, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 126, 127, 126, 127,
 igr2= 142, 143,
 &end
#
#    0 AMB  20-2:2901     0 AMB  20-1:2901   3.50    (#   2901:20  Double Ambig)
 &rst
  ixpk= 2901, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 123, 124, 148, 149,
 igr2= 142, 143, 142, 143,
 &end
#
#    0 AMB  20-2:2904    43 PRO  HD-         7.00    (#   2904:20  Single Ambig)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 675, 820,
 igr2= 666, 667,
 &end
#
#    0 AMB  20-2:2905     0 AMB  20-1:2905   3.50    (#   2905:20  Double Ambig)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 675, 820,
 igr2= 666, 667, 666, 667,
 &end
#
#   29 GLY  HN           10 PRO  HD-         5.50    (#   2906:20  Unique         4.13, 5.40 A)
 &rst
  ixpk= 2906, nxpk= 20, iat= 462,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 142, 143,
 &end
#
#   93 ILE  QD1          90 GLU  HA          5.50    (#   2907:20  Unique         3.23, 4.60 A)
 &rst
  ixpk= 2907, nxpk= 20, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1426,1427,1428,
 &end
#
#    0 AMB  20-2:2909     0 AMB  20-1:2909   4.50    (#   2909:20  Double Ambig)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1926,1927,1926,1927,
 igr2=1929,1930,1929,1930,
 &end
#
#    0 AMB  20-2:2910   124 LYS  HE-         4.50    (#   2910:20  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1926,1927,1926,1927,
 igr2=1929,1930,
 &end
#
#   36 LEU  HA           36 LEU  MDY         4.50    (#   2911:20  Unique         2.15, 3.81 A)
 &rst
  ixpk= 2911, nxpk= 20, iat= 563,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#    0 AMB  20-2:2912    65 LEU  HA          4.50    (#   2912:20  Single Ambig)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1, 982, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,1048,1049,1050,1052,1053,1054,
 &end
#
#   87 ARG  HA           88 PRO  HG+         4.50    (#   2913:20  Unique         4.21, 4.61 A)
 &rst
  ixpk= 2913, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1337,1338,
 &end
#
#   87 ARG  HA           88 PRO  HG-         4.50    (#   2914:20  Unique         4.21, 4.61 A)
 &rst
  ixpk= 2914, nxpk= 20, iat=1311,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1337,1338,
 &end
#
#    0 AMB  20-2:2915     0 AMB  20-1:2915   5.50    (#   2915:20  Double Ambig)
 &rst
  ixpk= 2915, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=  77,  78,1143,
 igr2=  80,  81,  80,  81,
 &end
#
#    0 AMB  20-2:2916     0 AMB  20-1:2916   2.80    (#   2916:20  Double Ambig)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 675, 820,
 igr2= 672, 673, 672, 673,
 &end
#
#    0 AMB  20-2:2917   121 ARG  HA          3.50    (#   2917:20  Single Ambig)
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1871,1872,1920,1921,
 &end
#
#   34 ILE  HG1+        100 VAL  MGX         4.50    (#   2918:20  Unique         2.35, 4.88 A)
 &rst
  ixpk= 2918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 535, 536,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#   34 ILE  QG2         100 VAL  MGX         3.50    (#   2920:20  Unique         2.38, 4.90 A)
 &rst
  ixpk= 2920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 531, 532, 533,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  20-2:2922   124 LYS  HG-         5.50    (#   2922:20  Single Ambig)
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1316,1317,1920,1921,
 igr2=1923,1924,
 &end
#
#    0 AMB  20-2:2923     0 AMB  20-1:2923   5.50    (#   2923:20  Double Ambig)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1316,1317,1920,1921,
 igr2=1923,1924,1923,1924,
 &end
#
#    0 AMB  20-2:2924     0 AMB  20-1:2924   2.80    (#   2924:20  Double Ambig)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1704,1705,1750,1751,
 igr2=1707,1708,1707,1708,
 &end
#
#    0 AMB  20-2:2925   111 ARG  HD-         2.80    (#   2925:20  Single Ambig)
 &rst
  ixpk= 2925, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1704,1705,1750,1751,
 igr2=1707,1708,
 &end
#
#   50 VAL  HB           50 VAL  MGX         2.80    (#   2926:20  Preassigned    2.38, 2.65 A)
 &rst
  ixpk= 2926, nxpk= 20, iat= 740,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   50 VAL  HA           50 VAL  MGY         3.50    (#   2927:20  Unique         2.34, 3.49 A)
 &rst
  ixpk= 2927, nxpk= 20, iat= 738,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 742, 743, 744, 746, 747, 748,
 &end
#
#   39 PRO  HB-          39 PRO  HG-         3.50    (#   2928:20  Unique         2.32, 2.62 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 611, 612,
 igr2= 608, 609,
 &end
#
#    0 AMB  20-2:2929     0 AMB  20-1:2929   4.50    (#   2929:20  Double Ambig)
 &rst
  ixpk= 2929, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 622, 623, 847, 848,
 igr2= 608, 609, 608, 609,
 &end
#
#    0 AMB  20-2:2930    38 PRO  HA          4.50    (#   2930:20  Single Ambig)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1, 600, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 597, 598, 594, 595,
 &end
#
#    0 AMB  20-2:2931    38 PRO  HA          4.50    (#   2931:20  Single Ambig)
 &rst
  ixpk= 2931, nxpk= 20, iat=  -1, 600, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 597, 598, 594, 595,
 &end
#
#  111 ARG  HG-         111 ARG  HA          2.80    (#   2934:20  Unique         2.28, 2.86 A)
 &rst
  ixpk= 2934, nxpk= 20, iat=  -1,1699, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1704,1705,
 &end
#
#    0 AMB  20-2:2935   102 GLN  HA          5.50    (#   2935:20  Single Ambig)
 &rst
  ixpk= 2935, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1562,1563, 868, 869,
 &end
#
#  103 LYS  HG+         102 GLN  HA          4.50    (#   2936:20  Unique         3.30, 4.42 A)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1,1543, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1565,1566,
 &end
#
#    7 GLU  HB+           8 PRO  HD-         3.50    (#   2938:20  Unique         2.25, 4.23 A)
 &rst
  ixpk= 2938, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  94,  95,
 igr2= 106, 107,
 &end
#
#    0 AMB  20-2:2939    45 ALA  MB          4.50    (#   2939:20  Single Ambig)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 698, 699, 698, 699,
 igr2= 690, 691, 692,
 &end
#
#   45 ALA  HN           45 ALA  MB          2.80    (#   2940:20  Unique         2.43, 3.10 A)
 &rst
  ixpk= 2940, nxpk= 20, iat= 686,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 690, 691, 692,
 &end
#
#  106 TYR  HB+         106 TYR  HA          3.50    (#   2941:20  Unique         2.30, 2.56 A)
 &rst
  ixpk= 2941, nxpk= 20, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1623,1624,
 &end
#
#  107 SER  HN          106 TYR  HA          5.50    (#   2942:20  Unique         2.16, 2.88 A)
 &rst
  ixpk= 2942, nxpk= 20, iat=1640,1621, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  106 TYR  HB+         105 LYS  HA          5.50    (#   2943:20  Unique         3.92, 5.01 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=  -1,1599, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1623,1624,
 &end
#
#    0 AMB  20-2:2945     0 AMB  20-1:2945   5.50    (#   2945:20  Double Ambig)
 &rst
  ixpk= 2945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1761,1640,
 igr2=1699,1599,
 &end
#
#   43 PRO  HD-          42 TYR  HA          5.50    (#   2948:20  Unique         2.01, 2.63 A)
 &rst
  ixpk= 2948, nxpk= 20, iat=  -1, 646, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 666, 667,
 &end
#
#  115 HIS  HA          115 HIS  HB+         2.80    (#   2949:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 2949, nxpk= 20, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1765,1766,
 &end
#
#  115 HIS  HA          115 HIS  HB-         2.80    (#   2950:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 2950, nxpk= 20, iat=1763,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1765,1766,
 &end
#
#    0 AMB  20-2:2951     0 AMB  20-1:2951   2.80    (#   2951:20  Double Ambig)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 123, 124, 594, 595, 129, 130,
 igr2= 142, 143, 591, 592,
 &end
#
#  113 CYS  HA          113 CYS  HB-         3.50    (#   2952:20  Unique         2.35, 2.69 A)
 &rst
  ixpk= 2952, nxpk= 20, iat=1737,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1739,1740,
 &end
#
#    0 AMB  20-2:2953     0 AMB  20-1:2953   4.50    (#   2953:20  Double Ambig)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1672, 738,
 igr2=1676,1677,1678,1680,1681,1682, 789, 790, 791, 793,
       794, 795,
 &end
#
#    4 PRO  HA            4 PRO  HB+         2.80    (#   2957:20  Unique         2.30, 2.55 A)
 &rst
  ixpk= 2957, nxpk= 20, iat=  52,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  49,  50,
 &end
#
#   19 LEU  HB-          19 LEU  HG          2.80    (#   2958:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 2958, nxpk= 20, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 294, 295,
 &end
#
#  109 VAL  HB          109 VAL  MGX         2.80    (#   2961:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 2961, nxpk= 20, iat=1674,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1676,1677,1678,1680,1681,1682,
 &end
#
#  109 VAL  HB          109 VAL  HA          7.00    (#   2963:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=1674,1672, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   34 ILE  HG1+         34 ILE  QG2         2.80    (#   2964:20  Unique         2.60, 3.59 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 535, 536,
 igr2= 531, 532, 533,
 &end
#
#    0 AMB  20-2:2965    34 ILE  QG2         2.80    (#   2965:20  Single Ambig)
 &rst
  ixpk= 2965, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 igr2= 531, 532, 533,
 &end
#
#  100 VAL  MGX          34 ILE  QG2         3.50    (#   2966:20  Unique         2.38, 4.90 A)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1524,1525,1526,1528,1529,1530,
 igr2= 531, 532, 533,
 &end
#
#   15 GLU  HG-          15 GLU  HB-         5.50    (#   2967:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 2967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 219, 220,
 igr2= 216, 217,
 &end
#
#   43 PRO  HB-          43 PRO  HG-         2.80    (#   2968:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 672, 673,
 igr2= 669, 670,
 &end
#
#   69 VAL  HN           69 VAL  HB          3.50    (#   2973:20  Unique         2.36, 3.14 A)
 &rst
  ixpk= 2973, nxpk= 20, iat=1042,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 GLU  HB+          68 VAL  MGY         2.80    (#   2975:20  Unique         2.18, 4.46 A)
 &rst
  ixpk= 2975, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 945, 946,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#  120 LEU  HG          117 VAL  HA          4.50    (#   2976:20  Preassigned    2.31, 2.42 A)
 &rst
  ixpk= 2976, nxpk= 20, iat=1852,1800, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  HB-         120 LEU  HG          5.50    (#   2977:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2977, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1849,1850,
 &end
#
#  120 LEU  HB+         120 LEU  HG          7.00    (#   2978:20  Unique         2.45, 2.76 A)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,1852, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1849,1850,
 &end
#
#   59 GLU  HG+          61 LYS  HG+         4.50    (#   2979:20  Unique         2.23, 4.00 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 871, 872,
 igr2= 902, 903,
 &end
#
#   61 LYS  HB-          61 LYS  HG+         2.80    (#   2980:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 899, 900,
 igr2= 902, 903,
 &end
#
#   57 SER  HB+         103 LYS  HB-         7.00    (#   2983:20  Unique         2.50, 4.28 A)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 847, 848,
 igr2=1562,1563,
 &end
#
#   24 TRP  HZ3          23 HIS  HB-         7.00    (#   2984:20  Unique         5.33, 6.21 A)
 &rst
  ixpk= 2984, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 356, 357,
 &end
#
#   24 TRP  HZ3          23 HIS  HB+         7.00    (#   2985:20  Unique         5.33, 6.21 A)
 &rst
  ixpk= 2985, nxpk= 20, iat= 386,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 356, 357,
 &end
#
#   16 ILE  QG2          23 HIS  HB-         7.00    (#   2986:20  Unique         3.28, 4.75 A)
 &rst
  ixpk= 2986, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 233, 234, 235,
 igr2= 356, 357,
 &end
#
#   16 ILE  QG2          23 HIS  HB+         5.50    (#   2987:20  Unique         3.28, 4.75 A)
 &rst
  ixpk= 2987, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 233, 234, 235,
 igr2= 356, 357,
 &end
#
#   88 PRO  HD+          87 ARG  HB+         3.50    (#   2988:20  Unique         2.19, 3.69 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1334,1335,
 igr2=1313,1314,
 &end
#
#   83 GLU  HN           80 LEU  HA          5.50    (#   2989:20  Unique         2.68, 2.99 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=1242,1196, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2990     0 AMB  20-1:2990   5.50    (#   2990:20  Double Ambig)
 &rst
  ixpk= 2990, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 119, 155,
 igr2= 129, 130, 129, 130,
 &end
#
#   27 TYR  HD            9 LYS  HD+         5.50    (#   2991:20  Unique         4.97, 7.58 A)
 &rst
  ixpk= 2991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 430, 439,
 igr2= 129, 130,
 &end
#
#    0 AMB  20-2:2992     0 AMB  20-1:2992   5.50    (#   2992:20  Double Ambig)
 &rst
  ixpk= 2992, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 843,1828, 799,
 igr2= 820,1763,
 &end
#
#   25 ALA  MB           68 VAL  MGX         4.50    (#   2994:20  Preassigned    2.94, 5.69 A)
 &rst
  ixpk= 2994, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 397, 398, 399,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 LYS  HN           61 LYS  HG-         7.00    (#   2995:20  Unique         3.00, 3.73 A)
 &rst
  ixpk= 2995, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 902, 903,
 &end
#
#   39 PRO  HD+          39 PRO  HG-         4.50    (#   2996:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2996, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 605, 606,
 igr2= 608, 609,
 &end
#
#   39 PRO  HG+          39 PRO  HD+         7.00    (#   2999:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 2999, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 608, 609,
 igr2= 605, 606,
 &end
#
#   39 PRO  HG+          39 PRO  HD-         4.50    (#   3000:20  Unique         2.30, 2.61 A)
 &rst
  ixpk= 3000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 608, 609,
 igr2= 605, 606,
 &end
#
#   40 SER  HB-          40 SER  HA          2.80    (#   3001:20  Unique         2.35, 2.66 A)
 &rst
  ixpk= 3001, nxpk= 20, iat=  -1, 620, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 622, 623,
 &end
#
#   84 TYR  HN           84 TYR  HA          3.50    (#   3003:20  Unique         2.98, 3.00 A)
 &rst
  ixpk= 3003, nxpk= 20, iat=1257,1259, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 GLN  HN           84 TYR  HA          3.50    (#   3004:20  Unique         2.26, 2.42 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=1278,1259, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:3005    36 LEU  MDY         5.50    (#   3005:20  Single Ambig)
 &rst
  ixpk= 3005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1730,1731,1788,1792,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#   10 PRO  HD-          10 PRO  HB+         5.50    (#   3006:20  Unique         2.76, 3.66 A)
 &rst
  ixpk= 3006, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 142, 143,
 igr2= 148, 149,
 &end
#
#   64 ARG  HB+          67 ASP  HB+         7.00    (#   3009:20  Unique         2.24, 3.57 A)
 &rst
  ixpk= 3009, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 960, 961,
 igr2=1018,1019,
 &end
#
#   64 ARG  HB+          67 ASP  HB-         5.50    (#   3010:20  Unique         2.24, 3.57 A)
 &rst
  ixpk= 3010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 960, 961,
 igr2=1018,1019,
 &end
#
#   17 PHE  HB+          17 PHE  HA          4.50    (#   3011:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1, 248, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 250, 251,
 &end
#
#   89 VAL  MGY          10 PRO  HA          5.50    (#   3012:20  Preassigned    4.23, 5.82 A)
 &rst
  ixpk= 3012, nxpk= 20, iat=  -1, 151, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   29 GLY  HN           10 PRO  HA          7.00    (#   3013:20  Unique         3.05, 3.50 A)
 &rst
  ixpk= 3013, nxpk= 20, iat= 462, 151, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  20-2:3014   100 VAL  MGY         4.50    (#   3014:20  Single Ambig)
 &rst
  ixpk= 3014, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 883,1505,1506,
 igr2=1524,1525,1526,1528,1529,1530,
 &end
#
#  105 LYS  HA          105 LYS  HD-         5.50    (#   3015:20  Unique         2.26, 4.42 A)
 &rst
  ixpk= 3015, nxpk= 20, iat=1599,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1607,1608,
 &end
#
#   64 ARG  HN           68 VAL  MGY         7.00    (#   3016:20  Unique         3.48, 6.17 A)
 &rst
  ixpk= 3016, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   89 VAL  MGY          92 ILE  HB          4.50    (#   3017:20  Unique         2.95, 4.97 A)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,1398, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   63 GLU  HB+          68 VAL  MGX         3.50    (#   3018:20  Unique         2.18, 4.46 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 945, 946,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   63 GLU  HB+          33 VAL  MGY         4.50    (#   3019:20  Unique         2.66, 6.16 A)
 &rst
  ixpk= 3019, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 945, 946,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  20-2:3020    33 VAL  HB          4.50    (#   3020:20  Single Ambig)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1, 513, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 240, 241, 242,
 &end
#
#   26 LEU  HG           96 ALA  HA          4.50    (#   3021:20  Unique         4.53, 4.57 A)
 &rst
  ixpk= 3021, nxpk= 20, iat= 410,1456, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 VAL  HA           92 ILE  HG1+        5.50    (#   3022:20  Unique         2.42, 3.38 A)
 &rst
  ixpk= 3022, nxpk= 20, iat=1349,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1404,1405,
 &end
#
#   80 LEU  HA           80 LEU  MDX         4.50    (#   3023:20  Unique         2.31, 3.86 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=1196,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   80 LEU  HB-          80 LEU  MDX         2.80    (#   3024:20  Unique         2.33, 3.33 A)
 &rst
  ixpk= 3024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1198,1199,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#    0 AMB  20-2:3025    80 LEU  MDX         2.80    (#   3025:20  Single Ambig)
 &rst
  ixpk= 3025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=1820,1821,1822,1198,1199,1868,1869,
 igr2=1203,1204,1205,1207,1208,1209,
 &end
#
#   36 LEU  HG           36 LEU  MDY         2.80    (#   3026:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 3026, nxpk= 20, iat= 568,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 570, 571, 572, 574, 575, 576,
 &end
#
#  121 ARG  HB+          92 ILE  QD1         4.50    (#   3027:20  Unique         2.57, 4.89 A)
 &rst
  ixpk= 3027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1868,1869,
 igr2=1407,1408,1409,
 &end
#
#  124 LYS  HB+          92 ILE  QD1         4.50    (#   3028:20  Unique         5.16, 6.28 A)
 &rst
  ixpk= 3028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1920,1921,
 igr2=1407,1408,1409,
 &end
#
#   95 SER  HN           94 SER  HA          5.50    (#   3029:20  Unique         3.53, 3.55 A)
 &rst
  ixpk= 3029, nxpk= 20, iat=1443,1434, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 LEU  HN           36 LEU  HB-         7.00    (#   3030:20  Unique         2.29, 2.73 A)
 &rst
  ixpk= 3030, nxpk= 20, iat= 561,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 565, 566,
 &end
#
#   93 ILE  HA           92 ILE  HB          5.50    (#   3031:20  Unique         4.22, 4.35 A)
 &rst
  ixpk= 3031, nxpk= 20, iat=1415,1398, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   53 VAL  HN           53 VAL  HA          4.50    (#   3032:20  Unique         2.79, 2.93 A)
 &rst
  ixpk= 3032, nxpk= 20, iat= 783, 785, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 LEU  HN           53 VAL  HA          4.50    (#   3033:20  Unique         2.13, 2.57 A)
 &rst
  ixpk= 3033, nxpk= 20, iat= 799, 785, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:3036    34 ILE  HB          3.50    (#   3036:20  Single Ambig)
 &rst
  ixpk= 3036, nxpk= 20, iat=  -1, 529, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 538, 539, 540, 412, 413, 414, 416, 417, 418,
 &end
#
#   59 GLU  HB+          37 ALA  MB          5.50    (#   3037:20  Preassigned    2.50, 4.72 A)
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 868, 869,
 igr2= 584, 585, 586,
 &end
#
#   85 GLN  HG+          84 TYR  HA          5.50    (#   3038:20  Unique         3.83, 4.89 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=  -1,1259, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1285,1286,
 &end
#
#   84 TYR  HA           85 GLN  HG+         4.50    (#   3039:20  Unique         3.83, 4.89 A)
 &rst
  ixpk= 3039, nxpk= 20, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1285,1286,
 &end
#
#   63 GLU  HN           33 VAL  MGX         5.50    (#   3040:20  Unique         2.91, 5.05 A)
 &rst
  ixpk= 3040, nxpk= 20, iat= 941,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 515, 516, 517, 519, 520, 521,
 &end
#
#   12 ASP  HN           11 GLY  HA-         7.00    (#   3042:20  Unique         3.21, 3.36 A)
 &rst
  ixpk= 3042, nxpk= 20, iat= 162,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 157, 158,
 &end
#
#    0 AMB  20-2:3043    96 ALA  MB          5.50    (#   3043:20  Single Ambig)
 &rst
  ixpk= 3043, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1447,1448,1466,
 igr2=1458,1459,1460,
 &end
#
#    0 AMB  20-2:3044     0 AMB  20-1:3044   2.80    (#   3044:20  Double Ambig)
 &rst
  ixpk= 3044, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1423,1424, 273, 274, 453, 454,
 igr2= 449, 450, 451, 233, 234, 235,
 &end
#
#    0 AMB  20-2:3045     0 AMB  20-1:3045   2.80    (#   3045:20  Double Ambig)
 &rst
  ixpk= 3045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 237, 238,1458,1459,1460,
 igr2= 233, 234, 235, 449, 450, 451,
 &end
#
#   75 ARG  HA           14 ILE  QG2         5.50    (#   3046:20  Unique         3.91, 5.35 A)
 &rst
  ixpk= 3046, nxpk= 20, iat=1117,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 199, 200, 201,
 &end
#
#   28 ILE  QD1          93 ILE  HG1-        4.50    (#   3049:20  Unique         5.04, 6.65 A)
 &rst
  ixpk= 3049, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 456, 457, 458,
 igr2=1423,1424,
 &end
#
#  111 ARG  HD-         111 ARG  HB+         5.50    (#   3050:20  Unique         2.37, 3.20 A)
 &rst
  ixpk= 3050, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1707,1708,
 igr2=1701,1702,
 &end
#
#  111 ARG  HD+         111 ARG  HB+         5.50    (#   3051:20  Unique         2.37, 3.20 A)
 &rst
  ixpk= 3051, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1707,1708,
 igr2=1701,1702,
 &end
#
#  111 ARG  HA          111 ARG  HB+         5.50    (#   3052:20  Unique         2.44, 2.78 A)
 &rst
  ixpk= 3052, nxpk= 20, iat=1699,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1701,1702,
 &end
#
#  121 ARG  HG+         121 ARG  HD+         5.50    (#   3053:20  Unique         2.32, 2.71 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1871,1872,
 igr2=1874,1875,
 &end
#
#  121 ARG  HB+         121 ARG  HD+         4.50    (#   3054:20  Unique         2.37, 3.00 A)
 &rst
  ixpk= 3054, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1868,1869,
 igr2=1874,1875,
 &end
#
#    0 AMB  20-2:3055     0 AMB  20-1:3055   2.80    (#   3055:20  Double Ambig)
 &rst
  ixpk= 3055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1407,1408,1409,1419,1420,1421,
 igr2=1404,1405,1471,1472,1316,1317,
 &end
#
#   54 LEU  HA           54 LEU  HG          3.50    (#   3056:20  Unique         2.45, 3.14 A)
 &rst
  ixpk= 3056, nxpk= 20, iat= 801, 806, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   54 LEU  HB+          54 LEU  MDX         2.80    (#   3057:20  Unique         2.39, 3.34 A)
 &rst
  ixpk= 3057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 803, 804,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   80 LEU  HN           79 SER  HA          4.50    (#   3058:20  Unique         3.53, 3.56 A)
 &rst
  ixpk= 3058, nxpk= 20, iat=1194,1185, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  MGX          72 CYS  HB+         7.00    (#   3060:20  Unique         2.30, 5.66 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1048,1049,1050,1052,1053,1054,
 igr2=1076,1077,
 &end
#
#  116 PHE  HE           60 VAL  MGY         5.50    (#   3061:20  Unique         2.68, 4.27 A)
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1788,1792,
 igr2= 885, 886, 887, 889, 890, 891,
 &end
#
#   95 SER  HN           96 ALA  HA          7.00    (#   3062:20  Unique         5.34, 5.40 A)
 &rst
  ixpk= 3062, nxpk= 20, iat=1443,1456, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   80 LEU  MDX          80 LEU  HA          3.50    (#   3063:20  Unique         2.31, 3.86 A)
 &rst
  ixpk= 3063, nxpk= 20, iat=  -1,1196, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1203,1204,1205,1207,1208,1209,
 &end
#
#   64 ARG  HG+          63 GLU  HA          4.50    (#   3066:20  Unique         3.84, 4.64 A)
 &rst
  ixpk= 3066, nxpk= 20, iat=  -1, 943, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 963, 964,
 &end
#
#   76 VAL  HA           14 ILE  HG1-        5.50    (#   3067:20  Unique         2.65, 3.93 A)
 &rst
  ixpk= 3067, nxpk= 20, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 203, 204,
 &end
#
#    0 AMB  20-2:3070     0 AMB  20-1:3070   2.80    (#   3070:20  Double Ambig)
 &rst
  ixpk= 3070, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1701,1702,1398,
 igr2=1704,1705,1404,1405,
 &end
#
#   74 TYR  HB+          16 ILE  QD1         7.00    (#   3071:20  Unique         4.02, 4.96 A)
 &rst
  ixpk= 3071, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1098,1099,
 igr2= 240, 241, 242,
 &end
#
#   74 TYR  HB-          16 ILE  QD1         5.50    (#   3072:20  Unique         4.02, 4.96 A)
 &rst
  ixpk= 3072, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1098,1099,
 igr2= 240, 241, 242,
 &end
#
#    0 AMB  20-2:3073    18 ARG  HG-         4.50    (#   3073:20  Single Ambig)
 &rst
  ixpk= 3073, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 276, 277,1076,1077,
 igr2= 273, 274,
 &end
#
#    0 AMB  20-2:3074    59 GLU  HA          3.50    (#   3074:20  Single Ambig)
 &rst
  ixpk= 3074, nxpk= 20, iat=  -1, 866, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 868, 869,1562,1563,
 &end
#
#    0 AMB  20-2:3075    72 CYS  HA          5.50    (#   3075:20  Single Ambig)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,1074, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 250, 251, 276, 277,
 &end
#
#   86 PRO  HD-          86 PRO  HB-         3.50    (#   3076:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 3076, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1296,1297,
 igr2=1302,1303,
 &end
#
#   86 PRO  HD-          86 PRO  HB+         3.50    (#   3077:20  Unique         2.80, 3.67 A)
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1296,1297,
 igr2=1302,1303,
 &end
#
#    0 AMB  20-2:3078     0 AMB  20-1:3078   4.50    (#   3078:20  Double Ambig)
 &rst
  ixpk= 3078, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 142, 143,1296,1297,
 igr2= 123, 124,1302,1303,
 &end
#
#   66 GLU  HA           69 VAL  MGY         2.80    (#   3079:20  Unique         2.17, 4.28 A)
 &rst
  ixpk= 3079, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  20-2:3080   120 LEU  MDX         3.50    (#   3080:20  Single Ambig)
 &rst
  ixpk= 3080, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1800,1456,
 igr2=1854,1855,1856,1858,1859,1860,
 &end
#
#   38 PRO  HA           38 PRO  HG+         7.00    (#   3081:20  Unique         2.79, 3.73 A)
 &rst
  ixpk= 3081, nxpk= 20, iat= 600,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 594, 595,
 &end
#
#   38 PRO  HD+          38 PRO  HG+         7.00    (#   3082:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 3082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 591, 592,
 igr2= 594, 595,
 &end
#
#    0 AMB  20-2:3084     0 AMB  20-1:3084   2.80    (#   3084:20  Double Ambig)
 &rst
  ixpk= 3084, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.68, r4= 6.43,
 igr1= 989, 990, 991, 993, 994, 995, 410,
 igr2= 109, 110, 412, 413, 414, 416, 417, 418, 203, 204,
      
 &end
#
#   61 LYS  HD-          61 LYS  HE+         2.80    (#   3087:20  Preassigned    2.37, 2.65 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 905, 906,
 igr2= 908, 909,
 &end
#
#   61 LYS  HG+          61 LYS  HE+         2.80    (#   3088:20  Unique         2.36, 3.25 A)
 &rst
  ixpk= 3088, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 902, 903,
 igr2= 908, 909,
 &end
#
#   85 GLN  HG+          85 GLN  HB+         2.80    (#   3089:20  Unique         2.31, 2.62 A)
 &rst
  ixpk= 3089, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1285,1286,
 igr2=1282,1283,
 &end
#
#   86 PRO  HD+          85 GLN  HB+         2.80    (#   3090:20  Unique         2.21, 3.59 A)
 &rst
  ixpk= 3090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1296,1297,
 igr2=1282,1283,
 &end
#
#   19 LEU  MDX          19 LEU  HG          2.80    (#   3091:20  Preassigned    2.38, 2.66 A)
 &rst
  ixpk= 3091, nxpk= 20, iat=  -1, 297, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 299, 300, 301, 303, 304, 305,
 &end
#
#   80 LEU  MDY         118 THR  MG2         4.50    (#   3092:20  Unique         2.20, 4.47 A)
 &rst
  ixpk= 3092, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1203,1204,1205,1207,1208,1209,
 igr2=1820,1821,1822,
 &end
#
#   26 LEU  HB+          93 ILE  HA          5.50    (#   3093:20  Unique         5.35, 6.08 A)
 &rst
  ixpk= 3093, nxpk= 20, iat=  -1,1415, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 407, 408,
 &end
#
#   42 TYR  HA           42 TYR  HB+         4.50    (#   3094:20  Unique         2.31, 2.70 A)
 &rst
  ixpk= 3094, nxpk= 20, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 648, 649,
 &end
#
#   70 GLY  HN           68 VAL  HA          5.50    (#   3095:20  Unique         3.81, 4.45 A)
 &rst
  ixpk= 3095, nxpk= 20, iat=1058,1028, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   56 ASN  HD2+         55 SER  HB+         4.50    (#   3096:20  Unique         3.04, 5.78 A)
 &rst
  ixpk= 3096, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 838, 839,
 igr2= 822, 823,
 &end
#
#   93 ILE  QD1          28 ILE  HB          3.50    (#   3097:20  Preassigned    3.05, 4.23 A)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1, 447, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1426,1427,1428,
 &end
#
#   34 ILE  HN           33 VAL  HB          4.50    (#   3098:20  Unique         2.38, 2.55 A)
 &rst
  ixpk= 3098, nxpk= 20, iat= 525, 513, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 TYR  HA           21 TYR  HB+         2.80    (#   3099:20  Unique         2.36, 2.72 A)
 &rst
  ixpk= 3099, nxpk= 20, iat= 318,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 320, 321,
 &end
#
#    0 AMB  20-2:3100    34 ILE  QD1         3.50    (#   3100:20  Single Ambig)
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 921, 922, 529, 924, 925,
 igr2= 538, 539, 540,
 &end
#
#   59 GLU  HN           37 ALA  MB          4.50    (#   3101:20  Unique         2.42, 3.83 A)
 &rst
  ixpk= 3101, nxpk= 20, iat= 864,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 584, 585, 586,
 &end
#
#   77 ASN  HN           77 ASN  HB+         7.00    (#   3102:20  Unique         2.87, 3.14 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=1155,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1159,1160,
 &end
#
#   77 ASN  HD2+         77 ASN  HB-         7.00    (#   3103:20  Unique         2.41, 3.14 A)
 &rst
  ixpk= 3103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1164,1165,
 igr2=1159,1160,
 &end
#
#   22 GLU  HB-          24 TRP  HE1         5.50    (#      0:10  Unique         4.93, 5.88 A)
 &rst
  ixpk= 0, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 341, 342,
 &end
#
#   22 GLU  HB+          24 TRP  HE1         5.50    (#      1:10  Unique         4.93, 5.88 A)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 341, 342,
 &end
#
#  114 GLU  HB+          24 TRP  HE1         7.00    (#      5:10  Unique         3.06, 4.90 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1750,1751,
 &end
#
#  114 GLU  HG+          24 TRP  HE1         7.00    (#      7:10  Unique         3.20, 5.03 A)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1753,1754,
 &end
#
#   15 GLU  HG+          24 TRP  HE1         7.00    (#      8:10  Unique         2.09, 3.36 A)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 219, 220,
 &end
#
#   61 LYS  HN           37 ALA  HN          7.00    (#     10:10  Unique         3.59, 3.98 A)
 &rst
  ixpk= 10, nxpk= 10, iat= 895, 580, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:11      37 ALA  HN          3.50    (#     11:10  Single Ambig)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 582, 881,
 &end
#
#   36 LEU  HA           37 ALA  HN          2.80    (#     12:10  Unique         2.13, 2.20 A)
 &rst
  ixpk= 12, nxpk= 10, iat= 563, 580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   37 ALA  MB           37 ALA  HN          2.80    (#     13:10  Unique         2.40, 2.93 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 584, 585, 586,
 &end
#
#   36 LEU  HB+          37 ALA  HN          7.00    (#     14:10  Unique         2.74, 4.14 A)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 565, 566,
 &end
#
#   36 LEU  MDX          37 ALA  HN          4.50    (#     15:10  Unique         2.33, 4.67 A)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   37 ALA  HN           61 LYS  HN          7.00    (#     16:10  Unique         3.59, 3.98 A)
 &rst
  ixpk= 16, nxpk= 10, iat= 580, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   35 HIS  HD2          61 LYS  HN          7.00    (#     17:10  Unique         4.25, 4.83 A)
 &rst
  ixpk= 17, nxpk= 10, iat= 557, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   60 VAL  HA           61 LYS  HN          2.80    (#     18:10  Unique         2.13, 2.16 A)
 &rst
  ixpk= 18, nxpk= 10, iat= 881, 895, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 LEU  HA           61 LYS  HN          5.50    (#     19:10  Unique         3.11, 3.31 A)
 &rst
  ixpk= 19, nxpk= 10, iat= 563, 895, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 VAL  HB           61 LYS  HN          7.00    (#     20:10  Unique         4.11, 4.16 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 883, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   61 LYS  HB+          61 LYS  HN          3.50    (#     21:10  Unique         2.45, 3.18 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 899, 900,
 &end
#
#   61 LYS  HG-          61 LYS  HN          5.50    (#     22:10  Unique         3.00, 3.73 A)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 902, 903,
 &end
#
#    0 AMB  10-2:23      61 LYS  HN          4.50    (#     23:10  Single Ambig)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1524,1525,1526,1528,1529,1530, 584, 585, 586,
 &end
#
#   34 ILE  QG2          61 LYS  HN          5.50    (#     24:10  Unique         3.87, 4.92 A)
 &rst
  ixpk= 24, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 531, 532, 533,
 &end
#
#   60 VAL  MGX          61 LYS  HN          2.80    (#     25:10  Preassigned    2.88, 4.31 A)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   61 LYS  HA           61 LYS  HN          4.50    (#     26:10  Unique         2.99, 3.00 A)
 &rst
  ixpk= 26, nxpk= 10, iat= 897, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LYS  HB-          61 LYS  HN          5.50    (#     27:10  Unique         2.45, 3.18 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 899, 900,
 &end
#
#   60 VAL  MGY          61 LYS  HN          4.50    (#     28:10  Unique         2.88, 4.31 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   75 ARG  HN           15 GLU  HN          4.50    (#     29:10  Unique         2.86, 2.98 A)
 &rst
  ixpk= 29, nxpk= 10, iat=1115, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASN  HN           15 GLU  HN          7.00    (#     30:10  Unique         3.75, 4.13 A)
 &rst
  ixpk= 30, nxpk= 10, iat=1155, 212, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   14 ILE  HA           15 GLU  HN          2.80    (#     31:10  Unique         2.10, 2.14 A)
 &rst
  ixpk= 31, nxpk= 10, iat= 195, 212, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:32      15 GLU  HN          4.50    (#     32:10  Single Ambig)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 214,1159,1160,
 &end
#
#    0 AMB  10-2:33      15 GLU  HN          5.50    (#     33:10  Single Ambig)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1122,1123, 197,
 &end
#
#   15 GLU  HB+          15 GLU  HN          3.50    (#     34:10  Unique         2.31, 2.97 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 216, 217,
 &end
#
#   14 ILE  QG2          15 GLU  HN          2.80    (#     35:10  Unique         2.56, 3.38 A)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 199, 200, 201,
 &end
#
#   15 GLU  HB-          15 GLU  HN          4.50    (#     36:10  Unique         2.31, 2.97 A)
 &rst
  ixpk= 36, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 216, 217,
 &end
#
#   36 LEU  MDY          61 LYS  HN          7.00    (#     37:10  Unique         3.94, 6.62 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   12 ASP  HN           27 TYR  HN          7.00    (#     39:10  Unique         3.77, 3.99 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 162, 422, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   27 TYR  HD           27 TYR  HN          4.50    (#     40:10  Unique         4.53, 4.74 A)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 430, 439,
 &end
#
#   26 LEU  HA           27 TYR  HN          2.80    (#     41:10  Unique         2.20, 2.22 A)
 &rst
  ixpk= 41, nxpk= 10, iat= 405, 422, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 TYR  HA           27 TYR  HN          4.50    (#     42:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 42, nxpk= 10, iat= 424, 422, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 TYR  HB+          27 TYR  HN          2.80    (#     43:10  Unique         2.39, 2.53 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 426, 427,
 &end
#
#   27 TYR  HB-          27 TYR  HN          2.80    (#     44:10  Unique         2.39, 2.53 A)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 426, 427,
 &end
#
#   26 LEU  HB-          27 TYR  HN          7.00    (#     45:10  Unique         4.30, 4.46 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 407, 408,
 &end
#
#   14 ILE  HG1-         27 TYR  HN          3.50    (#     46:10  Preassigned    3.13, 4.30 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 203, 204,
 &end
#
#   13 LEU  MDX          27 TYR  HN          5.50    (#     47:10  Preassigned    4.11, 6.70 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   26 LEU  MDX          27 TYR  HN          2.80    (#     48:10  Unique         2.63, 4.08 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 412, 413, 414, 416, 417, 418,
 &end
#
#   14 ILE  QD1          27 TYR  HN          4.50    (#     49:10  Unique         4.14, 4.99 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 206, 207, 208,
 &end
#
#   13 LEU  HA           27 TYR  HN          7.00    (#     50:10  Unique         3.64, 3.81 A)
 &rst
  ixpk= 50, nxpk= 10, iat= 176, 422, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:51      27 TYR  HN          7.00    (#     51:10  Single Ambig)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
 igr1= 397, 398, 399, 109, 110, 535, 536,
 &end
#
#   17 PHE  HD           17 PHE  HN          4.50    (#     54:10  Unique         2.27, 3.64 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 254, 262,
 &end
#
#   17 PHE  HA           17 PHE  HN          4.50    (#     55:10  Unique         2.92, 2.96 A)
 &rst
  ixpk= 55, nxpk= 10, iat= 248, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 ILE  HA           17 PHE  HN          2.80    (#     56:10  Unique         2.07, 2.13 A)
 &rst
  ixpk= 56, nxpk= 10, iat= 229, 246, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   17 PHE  HB-          17 PHE  HN          2.80    (#     57:10  Unique         2.38, 3.09 A)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 250, 251,
 &end
#
#    0 AMB  10-2:58      17 PHE  HN          2.80    (#     58:10  Single Ambig)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 250, 251,1076,1077,
 &end
#
#   74 TYR  HB-          17 PHE  HN          5.50    (#     59:10  Unique         3.74, 4.28 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1098,1099,
 &end
#
#   16 ILE  QG2          17 PHE  HN          2.80    (#     60:10  Unique         2.78, 3.61 A)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  10-2:61      17 PHE  HN          5.50    (#     61:10  Single Ambig)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 237, 238, 240, 241, 242,
 &end
#
#   73 CYS  HN           17 PHE  HN          7.00    (#     62:10  Unique         3.13, 3.70 A)
 &rst
  ixpk= 62, nxpk= 10, iat=1083, 246, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   74 TYR  HA           17 PHE  HN          4.50    (#     63:10  Unique         2.76, 3.07 A)
 &rst
  ixpk= 63, nxpk= 10, iat=1096, 246, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:64      17 PHE  HN          7.00    (#     64:10  Single Ambig)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 231,1122,1123,
 &end
#
#   13 LEU  HB+          77 ASN  HN          7.00    (#     65:10  Unique         3.25, 3.84 A)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 178, 179,
 &end
#
#    0 AMB  10-2:66      77 ASN  HN          5.50    (#     66:10  Single Ambig)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1143,1119,1120,
 &end
#
#   76 VAL  MGX          77 ASN  HN          4.50    (#     67:10  Unique         2.70, 4.15 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   77 ASN  HA           77 ASN  HN          3.50    (#     68:10  Unique         2.93, 2.96 A)
 &rst
  ixpk= 68, nxpk= 10, iat=1157,1155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  HA           77 ASN  HN          2.80    (#     69:10  Unique         2.19, 2.22 A)
 &rst
  ixpk= 69, nxpk= 10, iat=1141,1155, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ASN  HB-          77 ASN  HN          4.50    (#     70:10  Unique         2.87, 3.14 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1159,1160,
 &end
#
#   13 LEU  HB-          77 ASN  HN          7.00    (#     71:10  Unique         3.25, 3.84 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 178, 179,
 &end
#
#   77 ASN  HB+          77 ASN  HN          5.50    (#     72:10  Unique         2.87, 3.14 A)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1159,1160,
 &end
#
#   76 VAL  MGY          77 ASN  HN          2.80    (#     73:10  Unique         2.70, 4.15 A)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#    0 AMB  10-2:74      77 ASN  HN          7.00    (#     74:10  Single Ambig)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1,1155, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 206, 207, 208, 199, 200, 201,
 &end
#
#    0 AMB  10-2:76      89 VAL  HN          7.00    (#     76:10  Single Ambig)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1423,1424,1316,1317,
 &end
#
#   90 GLU  HN           89 VAL  HN          3.50    (#     77:10  Unique         2.87, 3.02 A)
 &rst
  ixpk= 77, nxpk= 10, iat=1363,1347, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HN           89 VAL  HN          7.00    (#     78:10  Unique         4.32, 4.49 A)
 &rst
  ixpk= 78, nxpk= 10, iat=1378,1347, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   88 PRO  HA           89 VAL  HN          2.80    (#     79:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 79, nxpk= 10, iat=1343,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 VAL  HA           89 VAL  HN          2.80    (#     80:10  Unique         2.72, 2.77 A)
 &rst
  ixpk= 80, nxpk= 10, iat=1349,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   88 PRO  HB-          89 VAL  HN          4.50    (#     81:10  Unique         3.70, 4.04 A)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#    0 AMB  10-2:82      89 VAL  HN          7.00    (#     82:10  Single Ambig)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1337,1338,1382,
 &end
#
#   89 VAL  HB           89 VAL  HN          2.80    (#     83:10  Unique         2.31, 2.37 A)
 &rst
  ixpk= 83, nxpk= 10, iat=1351,1347, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   88 PRO  HB+          89 VAL  HN          4.50    (#     84:10  Unique         3.70, 4.04 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#   89 VAL  MGX          89 VAL  HN          4.50    (#     85:10  Unique         2.26, 3.90 A)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   89 VAL  MGY          89 VAL  HN          2.80    (#     86:10  Unique         2.26, 3.90 A)
 &rst
  ixpk= 86, nxpk= 10, iat=  -1,1347, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   57 SER  HB+          58 ALA  HN          4.50    (#     89:10  Unique         2.18, 3.30 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 847, 848,
 &end
#
#   57 SER  HA           58 ALA  HN          2.80    (#     90:10  Unique         2.04, 2.30 A)
 &rst
  ixpk= 90, nxpk= 10, iat= 845, 854, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 ALA  MB           58 ALA  HN          2.80    (#     91:10  Unique         2.30, 2.93 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 858, 859, 860,
 &end
#
#   58 ALA  HA           58 ALA  HN          4.50    (#     92:10  Unique         2.93, 2.97 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 856, 854, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 GLU  HN           58 ALA  HN          5.50    (#     93:10  Unique         4.46, 4.61 A)
 &rst
  ixpk= 93, nxpk= 10, iat= 864, 854, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  103 LYS  HA           60 VAL  HN          5.50    (#     94:10  Unique         3.13, 3.32 A)
 &rst
  ixpk= 94, nxpk= 10, iat=1560, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:95      58 ALA  HN          5.50    (#     95:10  Single Ambig)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1, 854, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 614,1599,
 &end
#
#    0 AMB  10-2:97       0 AMB  10-1:97     2.80    (#     97:10  Double Ambig)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 885, 886, 887, 889, 890, 891, 237, 238,
 igr2= 879, 227,
 &end
#
#   59 GLU  HA           60 VAL  HN          2.80    (#     98:10  Unique         2.21, 2.24 A)
 &rst
  ixpk= 98, nxpk= 10, iat= 866, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:99       0 AMB  10-1:99     3.50    (#     99:10  Double Ambig)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 871, 872, 608, 609,
 igr2= 879, 854,
 &end
#
#   60 VAL  HB           60 VAL  HN          2.80    (#    100:10  Unique         2.54, 2.59 A)
 &rst
  ixpk= 100, nxpk= 10, iat= 883, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:101      0 AMB  10-1:101    4.50    (#    101:10  Double Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 352,1534,
 igr2= 227, 879,
 &end
#
#   15 GLU  HA           16 ILE  HN          2.80    (#    102:10  Unique         2.15, 2.20 A)
 &rst
  ixpk= 102, nxpk= 10, iat= 214, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 ILE  HB           16 ILE  HN          2.80    (#    103:10  Unique         2.52, 2.64 A)
 &rst
  ixpk= 103, nxpk= 10, iat= 231, 227, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 ILE  HG1+         16 ILE  HN          3.50    (#    104:10  Preassigned    2.44, 3.34 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 237, 238,
 &end
#
#   16 ILE  QG2          16 ILE  HN          4.50    (#    105:10  Unique         4.31, 4.69 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 233, 234, 235,
 &end
#
#    0 AMB  10-2:106      0 AMB  10-1:106    5.50    (#    106:10  Double Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 219, 220, 570, 571, 572, 574, 575, 576,
 igr2= 227, 879,
 &end
#
#   34 ILE  HA           63 GLU  HN          4.50    (#    107:10  Unique         3.64, 3.76 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 527, 941, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 VAL  HN           63 GLU  HN          3.50    (#    108:10  Unique         2.80, 2.90 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 509, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HD           63 GLU  HN          5.50    (#    109:10  Unique         3.17, 5.39 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 496, 505,
 &end
#
#   62 ARG  HA           63 GLU  HN          2.80    (#    110:10  Unique         2.28, 2.31 A)
 &rst
  ixpk= 110, nxpk= 10, iat= 919, 941, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   63 GLU  HA           63 GLU  HN          3.50    (#    111:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 111, nxpk= 10, iat= 943, 941, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:112     63 GLU  HN          5.50    (#    112:10  Single Ambig)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 492, 493, 927, 928,
 &end
#
#   32 TYR  HB+          63 GLU  HN          7.00    (#    113:10  Unique         3.61, 4.99 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 492, 493,
 &end
#
#   63 GLU  HG+          63 GLU  HN          5.50    (#    114:10  Unique         3.48, 4.52 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 948, 949,
 &end
#
#    0 AMB  10-2:115     63 GLU  HN          3.50    (#    115:10  Single Ambig)
 &rst
  ixpk= 115, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 945, 946, 948, 949,
 &end
#
#   62 ARG  HB-          63 GLU  HN          5.50    (#    116:10  Unique         4.14, 4.32 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 921, 922,
 &end
#
#   63 GLU  HB+          63 GLU  HN          3.50    (#    117:10  Unique         2.80, 3.32 A)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 945, 946,
 &end
#
#   62 ARG  HG-          63 GLU  HN          3.50    (#    118:10  Unique         2.79, 3.19 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 924, 925,
 &end
#
#   62 ARG  HG+          63 GLU  HN          4.50    (#    119:10  Unique         2.79, 3.19 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 924, 925,
 &end
#
#    0 AMB  10-2:120     63 GLU  HN          5.50    (#    120:10  Single Ambig)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 535, 536, 963, 964,
 &end
#
#   33 VAL  MGX          63 GLU  HN          5.50    (#    121:10  Unique         2.91, 5.05 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   33 VAL  MGY          63 GLU  HN          2.80    (#    122:10  Preassigned    2.91, 5.05 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   16 ILE  HA           16 ILE  HN          7.00    (#    123:10  Unique         2.99, 3.00 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 229, 227, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   32 TYR  HN           31 GLY  HN          3.50    (#    125:10  Unique         2.43, 2.60 A)
 &rst
  ixpk= 125, nxpk= 10, iat= 488, 481, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 GLY  HN           31 GLY  HN          5.50    (#    126:10  Unique         3.67, 3.99 A)
 &rst
  ixpk= 126, nxpk= 10, iat= 462, 481, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   30 ASP  HA           31 GLY  HN          4.50    (#    129:10  Unique         2.78, 3.05 A)
 &rst
  ixpk= 129, nxpk= 10, iat= 471, 481, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLY  HA+          31 GLY  HN          3.50    (#    130:10  Unique         2.33, 2.66 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 481, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 483, 484,
 &end
#
#   31 GLY  HA-          31 GLY  HN          2.80    (#    131:10  Unique         2.33, 2.66 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1, 481, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 483, 484,
 &end
#
#   29 GLY  HA+          31 GLY  HN          7.00    (#    132:10  Unique         3.30, 4.06 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1, 481, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 464, 465,
 &end
#
#   33 VAL  MGX          65 LEU  HN          5.50    (#    133:10  Unique         2.64, 4.28 A)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   66 GLU  HN           65 LEU  HN          3.50    (#    134:10  Unique         2.96, 3.14 A)
 &rst
  ixpk= 134, nxpk= 10, iat= 999, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:135     65 LEU  HN          4.50    (#    135:10  Single Ambig)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 509, 956,
 &end
#
#    0 AMB  10-2:136     65 LEU  HN          7.00    (#    136:10  Single Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1014, 496, 505,
 &end
#
#   32 TYR  HA           65 LEU  HN          2.80    (#    137:10  Unique         2.33, 2.71 A)
 &rst
  ixpk= 137, nxpk= 10, iat= 490, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 ARG  HA           65 LEU  HN          2.80    (#    138:10  Unique         2.09, 2.14 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 958, 980, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 LEU  HA           65 LEU  HN          3.50    (#    139:10  Unique         2.74, 2.77 A)
 &rst
  ixpk= 139, nxpk= 10, iat= 982, 980, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 GLU  HB-          65 LEU  HN          7.00    (#    140:10  Unique         5.29, 6.12 A)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1003,1004,
 &end
#
#    0 AMB  10-2:141     65 LEU  HN          2.80    (#    141:10  Single Ambig)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 984, 985, 960, 961,
 &end
#
#   65 LEU  HB+          65 LEU  HN          2.80    (#    142:10  Unique         2.25, 2.50 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 984, 985,
 &end
#
#   65 LEU  MDY          65 LEU  HN          5.50    (#    143:10  Preassigned    4.58, 5.20 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 989, 990, 991, 993, 994, 995,
 &end
#
#   17 PHE  HB-          18 ARG  HN          5.50    (#    144:10  Unique         2.91, 4.27 A)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 250, 251,
 &end
#
#   65 LEU  MDX          65 LEU  HN          4.50    (#    145:10  Unique         4.58, 5.20 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 989, 990, 991, 993, 994, 995,
 &end
#
#    0 AMB  10-2:148      7 GLU  HN          7.00    (#    148:10  Single Ambig)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  58,1141,
 &end
#
#    7 GLU  HA            7 GLU  HN          5.50    (#    149:10  Unique         2.86, 2.94 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  92,  90, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    6 GLN  HA            7 GLU  HN          2.80    (#    150:10  Unique         2.20, 2.28 A)
 &rst
  ixpk= 150, nxpk= 10, iat=  75,  90, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 GLU  HG-           7 GLU  HN          7.00    (#    151:10  Unique         2.44, 4.10 A)
 &rst
  ixpk= 151, nxpk= 10, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=  97,  98,
 &end
#
#    0 AMB  10-2:152      7 GLU  HN          4.50    (#    152:10  Single Ambig)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  94,  95,  77,  78,
 &end
#
#    0 AMB  10-2:153      7 GLU  HN          3.50    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  94,  95,  77,  78,
 &end
#
#   18 ARG  HA           18 ARG  HN          5.50    (#    154:10  Unique         2.82, 2.91 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 268, 266, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 GLU  HA           18 ARG  HN          3.50    (#    155:10  Unique         2.30, 2.76 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 339, 266, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 PHE  HA           18 ARG  HN          2.80    (#    156:10  Unique         2.08, 2.36 A)
 &rst
  ixpk= 156, nxpk= 10, iat= 248, 266, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:157     18 ARG  HN          7.00    (#    157:10  Single Ambig)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 250, 251,1076,1077,
 &end
#
#    0 AMB  10-2:158     18 ARG  HN          3.50    (#    158:10  Single Ambig)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 270, 271, 273, 274,
 &end
#
#   18 ARG  HG-          18 ARG  HN          5.50    (#    159:10  Unique         2.39, 3.94 A)
 &rst
  ixpk= 159, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 273, 274,
 &end
#
#    0 AMB  10-2:160     18 ARG  HN          4.50    (#    160:10  Single Ambig)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 270, 271, 233, 234, 235,
 &end
#
#   22 GLU  HG-          18 ARG  HN          7.00    (#    161:10  Unique         3.38, 5.04 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 344, 345,
 &end
#
#   79 SER  HN           78 ASN  HN          4.50    (#    162:10  Unique         3.50, 3.75 A)
 &rst
  ixpk= 162, nxpk= 10, iat=1183,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ASN  HD2+         78 ASN  HN          5.50    (#    163:10  Unique         3.14, 4.31 A)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#   78 ASN  HA           78 ASN  HN          4.50    (#    164:10  Unique         2.91, 2.93 A)
 &rst
  ixpk= 164, nxpk= 10, iat=1171,1169, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASN  HA           78 ASN  HN          2.80    (#    165:10  Unique         2.21, 2.30 A)
 &rst
  ixpk= 165, nxpk= 10, iat=1157,1169, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   78 ASN  HB-          78 ASN  HN          3.50    (#    166:10  Unique         2.35, 3.01 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1173,1174,
 &end
#
#   78 ASN  HB+          78 ASN  HN          2.80    (#    167:10  Unique         2.35, 3.01 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1173,1174,
 &end
#
#   76 VAL  MGY          78 ASN  HN          3.50    (#    168:10  Unique         2.66, 5.38 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   77 ASN  HB+          78 ASN  HN          5.50    (#    169:10  Unique         4.52, 4.58 A)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1159,1160,
 &end
#
#   93 ILE  HA           96 ALA  HN          4.50    (#    173:10  Unique         3.19, 3.29 A)
 &rst
  ixpk= 173, nxpk= 10, iat=1415,1454, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:174      0 AMB  10-1:174    2.80    (#    174:10  Double Ambig)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1456, 822, 823,
 igr2=1454, 799,
 &end
#
#    0 AMB  10-2:175     96 ALA  HN          5.50    (#    175:10  Single Ambig)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1468,1469,1468,1469,1417,
 &end
#
#   96 ALA  MB           96 ALA  HN          2.80    (#    176:10  Unique         2.26, 2.79 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1458,1459,1460,
 &end
#
#  120 LEU  MDX          96 ALA  HN          3.50    (#    177:10  Preassigned    3.20, 4.64 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDY          96 ALA  HN          5.50    (#    178:10  Unique         3.20, 4.64 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   98 GLU  HN           96 ALA  HN          7.00    (#    179:10  Unique         4.15, 4.27 A)
 &rst
  ixpk= 179, nxpk= 10, iat=1486,1454, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   36 LEU  HB+          36 LEU  HN          5.50    (#    180:10  Unique         2.29, 2.73 A)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 565, 566,
 &end
#
#   35 HIS  HB+          36 LEU  HN          5.50    (#    181:10  Unique         2.31, 3.28 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 548, 549,
 &end
#
#   35 HIS  HA           36 LEU  HN          3.50    (#    182:10  Unique         2.29, 2.44 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 546, 561, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 LEU  HB-          36 LEU  HN          7.00    (#    183:10  Unique         2.29, 2.73 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 565, 566,
 &end
#
#   36 LEU  MDY          36 LEU  HN          7.00    (#    184:10  Unique         2.90, 5.10 A)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#  116 PHE  HD           36 LEU  HN          7.00    (#    185:10  Unique         2.70, 5.08 A)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1786,1794,
 &end
#
#   62 ARG  HA           62 ARG  HN          4.50    (#    187:10  Unique         2.99, 3.00 A)
 &rst
  ixpk= 187, nxpk= 10, iat= 919, 917, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:188     62 ARG  HN          5.50    (#    188:10  Single Ambig)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 948, 949, 945, 946,
 &end
#
#    0 AMB  10-2:190     62 ARG  HN          5.50    (#    190:10  Single Ambig)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 941,1534,
 &end
#
#   61 LYS  HA           62 ARG  HN          2.80    (#    191:10  Unique         2.20, 2.31 A)
 &rst
  ixpk= 191, nxpk= 10, iat= 897, 917, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 ARG  HB-          62 ARG  HN          2.80    (#    192:10  Unique         2.42, 2.76 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 921, 922,
 &end
#
#   61 LYS  HB-          62 ARG  HN          3.50    (#    193:10  Unique         2.45, 3.21 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 899, 900,
 &end
#
#   62 ARG  HB+          62 ARG  HN          2.80    (#    194:10  Preassigned    2.42, 2.76 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 921, 922,
 &end
#
#   61 LYS  HG-          62 ARG  HN          4.50    (#    195:10  Unique         3.16, 4.35 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 902, 903,
 &end
#
#  100 VAL  MGX          62 ARG  HN          4.50    (#    196:10  Unique         3.23, 4.18 A)
 &rst
  ixpk= 196, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#  100 VAL  MGY          62 ARG  HN          2.80    (#    197:10  Unique         3.23, 4.18 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  10-2:198     62 ARG  HN          7.00    (#    198:10  Single Ambig)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1= 538, 539, 540, 885, 886, 887, 889, 890, 891,
 &end
#
#   95 SER  HA           96 ALA  HN          4.50    (#    199:10  Unique         3.59, 3.62 A)
 &rst
  ixpk= 199, nxpk= 10, iat=1445,1454, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:200     96 ALA  HN          4.50    (#    200:10  Single Ambig)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 538, 539, 540,1426,1427,1428, 449, 450, 451,
 &end
#
#   53 VAL  MGY          54 LEU  HN          3.50    (#    201:10  Unique         2.47, 4.45 A)
 &rst
  ixpk= 201, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 789, 790, 791, 793, 794, 795,
 &end
#
#    0 AMB  10-2:203     62 ARG  HN          7.00    (#    203:10  Single Ambig)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 908, 909, 927, 928,
 &end
#
#   63 GLU  HG+          62 ARG  HN          7.00    (#    204:10  Unique         3.63, 5.51 A)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 948, 949,
 &end
#
#   53 VAL  HB           54 LEU  HN          7.00    (#    207:10  Unique         1.99, 3.37 A)
 &rst
  ixpk= 207, nxpk= 10, iat= 787, 799, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   54 LEU  HA           54 LEU  HN          5.50    (#    208:10  Unique         2.22, 2.81 A)
 &rst
  ixpk= 208, nxpk= 10, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   54 LEU  HB+          54 LEU  HN          3.50    (#    209:10  Unique         2.25, 3.03 A)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 803, 804,
 &end
#
#   34 ILE  HG1+         35 HIS  HN          5.50    (#    210:10  Unique         3.94, 4.49 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 535, 536,
 &end
#
#   35 HIS  HD2          35 HIS  HN          2.80    (#    211:10  Unique         2.48, 2.73 A)
 &rst
  ixpk= 211, nxpk= 10, iat= 557, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 ARG  HA           35 HIS  HN          4.50    (#    212:10  Unique         3.61, 3.76 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 919, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 ILE  HA           35 HIS  HN          2.80    (#    213:10  Unique         2.17, 2.22 A)
 &rst
  ixpk= 213, nxpk= 10, iat= 527, 544, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 HIS  HB-          35 HIS  HN          7.00    (#    214:10  Unique         3.29, 3.65 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 548, 549,
 &end
#
#   34 ILE  HB           35 HIS  HN          4.50    (#    215:10  Preassigned    4.28, 4.32 A)
 &rst
  ixpk= 215, nxpk= 10, iat= 529, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:216     35 HIS  HN          5.50    (#    216:10  Single Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 535, 536, 397, 398, 399,
 &end
#
#   34 ILE  QG2          35 HIS  HN          2.80    (#    217:10  Unique         2.60, 3.41 A)
 &rst
  ixpk= 217, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 531, 532, 533,
 &end
#
#    0 AMB  10-2:218     35 HIS  HN          5.50    (#    218:10  Single Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540, 515,
       516, 517, 519, 520, 521,
 &end
#
#   33 VAL  MGY          35 HIS  HN          5.50    (#    219:10  Preassigned    4.75, 6.80 A)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 544, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   35 HIS  HA           35 HIS  HN          4.50    (#    220:10  Unique         2.92, 2.96 A)
 &rst
  ixpk= 220, nxpk= 10, iat= 546, 544, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:222     76 VAL  HN          3.50    (#    222:10  Single Ambig)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1119,1120,1143,  77,  78,
 &end
#
#   75 ARG  HG+          76 VAL  HN          5.50    (#    223:10  Unique         2.49, 4.23 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1122,1123,
 &end
#
#   76 VAL  MGY          76 VAL  HN          4.50    (#    224:10  Unique         2.27, 4.04 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   76 VAL  MGX          76 VAL  HN          2.80    (#    225:10  Unique         2.27, 4.04 A)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   90 GLU  HN           92 ILE  HN          7.00    (#    227:10  Unique         4.24, 4.29 A)
 &rst
  ixpk= 227, nxpk= 10, iat=1363,1394, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   93 ILE  HN           92 ILE  HN          3.50    (#    228:10  Unique         2.68, 2.78 A)
 &rst
  ixpk= 228, nxpk= 10, iat=1413,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HN           92 ILE  HN          2.80    (#    229:10  Unique         2.54, 2.59 A)
 &rst
  ixpk= 229, nxpk= 10, iat=1378,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 GLU  HA           92 ILE  HN          7.00    (#    230:10  Unique         4.43, 4.52 A)
 &rst
  ixpk= 230, nxpk= 10, iat=1365,1394, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   91 VAL  HA           92 ILE  HN          4.50    (#    231:10  Unique         3.58, 3.60 A)
 &rst
  ixpk= 231, nxpk= 10, iat=1380,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 VAL  HA           92 ILE  HN          4.50    (#    232:10  Unique         2.93, 3.14 A)
 &rst
  ixpk= 232, nxpk= 10, iat=1349,1394, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HA           92 ILE  HN          3.50    (#    233:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 233, nxpk= 10, iat=1396,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HB           92 ILE  HN          3.50    (#    234:10  Preassigned    2.71, 2.86 A)
 &rst
  ixpk= 234, nxpk= 10, iat=1382,1394, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HB           92 ILE  HN          2.80    (#    235:10  Unique         2.59, 2.67 A)
 &rst
  ixpk= 235, nxpk= 10, iat=1398,1394, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 ILE  HG1+         92 ILE  HN          2.80    (#    236:10  Unique         1.91, 2.58 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1404,1405,
 &end
#
#   92 ILE  HG1-         92 ILE  HN          3.50    (#    238:10  Unique         1.91, 2.58 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1404,1405,
 &end
#
#   91 VAL  MGX          92 ILE  HN          4.50    (#    239:10  Unique         3.73, 4.77 A)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#    0 AMB  10-2:240     92 ILE  HN          3.50    (#    240:10  Single Ambig)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1384,1385,1386,1388,1389,1390,1407,1408,1409,1353,
      1354,1355,1357,1358,1359,
 &end
#
#   92 ILE  QG2          92 ILE  HN          5.50    (#    241:10  Preassigned    4.46, 4.59 A)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1400,1401,1402,
 &end
#
#    0 AMB  10-2:242     92 ILE  HN          7.00    (#    242:10  Single Ambig)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1394, r1= 0.00, r2= 1.80, r3=10.73, r4=11.48,
 igr1=1926,1927, 412, 413, 414, 416, 417, 418,1868,1869,
      1458,1459,1460,
 &end
#
#   27 TYR  HD            9 LYS  HN          7.00    (#    243:10  Unique         3.23, 5.33 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 430, 439,
 &end
#
#    0 AMB  10-2:244     26 LEU  HN          7.00    (#    244:10  Single Ambig)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 193, 509,
 &end
#
#   34 ILE  HN           26 LEU  HN          3.50    (#    245:10  Unique         2.91, 3.03 A)
 &rst
  ixpk= 245, nxpk= 10, iat= 525, 403, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 HIS  HA           26 LEU  HN          5.50    (#    246:10  Unique         3.54, 3.65 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 546, 403, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 LEU  HA           26 LEU  HN          4.50    (#    247:10  Unique         2.98, 2.99 A)
 &rst
  ixpk= 247, nxpk= 10, iat= 405, 403, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   25 ALA  HA           26 LEU  HN          2.80    (#    248:10  Unique         2.20, 2.26 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 395, 403, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 HIS  HB+          26 LEU  HN          7.00    (#    249:10  Unique         3.60, 4.51 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 548, 549,
 &end
#
#   35 HIS  HB-          26 LEU  HN          5.50    (#    250:10  Unique         3.60, 4.51 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 548, 549,
 &end
#
#   26 LEU  HB-          26 LEU  HN          2.80    (#    251:10  Unique         2.39, 2.63 A)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 407, 408,
 &end
#
#  117 VAL  MGX          26 LEU  HN          2.80    (#    253:10  Unique         2.98, 4.80 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#   25 ALA  MB           26 LEU  HN          2.80    (#    254:10  Unique         2.66, 3.52 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 397, 398, 399,
 &end
#
#    0 AMB  10-2:255     26 LEU  HN          4.50    (#    255:10  Single Ambig)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
 &end
#
#   33 VAL  MGY          26 LEU  HN          5.50    (#    256:10  Unique         4.39, 5.72 A)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#  117 VAL  HB           26 LEU  HN          7.00    (#    257:10  Unique         4.13, 4.43 A)
 &rst
  ixpk= 257, nxpk= 10, iat=1802, 403, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:258      9 LYS  HN          7.00    (#    258:10  Single Ambig)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 109, 110, 203, 204,
 &end
#
#    8 PRO  HA            9 LYS  HN          2.80    (#    259:10  Unique         2.12, 2.21 A)
 &rst
  ixpk= 259, nxpk= 10, iat= 115, 119, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 ASP  HB+           9 LYS  HN          5.50    (#    260:10  Unique         2.42, 3.26 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 166, 167,
 &end
#
#    9 LYS  HB-           9 LYS  HN          3.50    (#    261:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 123, 124,
 &end
#
#    8 PRO  HB-           9 LYS  HN          4.50    (#    262:10  Unique         2.72, 3.39 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 112, 113,
 &end
#
#    0 AMB  10-2:263      9 LYS  HN          2.80    (#    263:10  Single Ambig)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 126, 127, 126, 127,
 &end
#
#    8 PRO  HG-           9 LYS  HN          7.00    (#    264:10  Unique         4.38, 4.99 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 109, 110,
 &end
#
#   76 VAL  MGY           9 LYS  HN          5.50    (#    265:10  Unique         3.56, 5.01 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   76 VAL  MGX           9 LYS  HN          3.50    (#    266:10  Unique         3.56, 5.01 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#    8 PRO  HB+           9 LYS  HN          4.50    (#    267:10  Unique         2.72, 3.39 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 112, 113,
 &end
#
#   14 ILE  QD1           9 LYS  HN          7.00    (#    268:10  Unique         4.78, 6.37 A)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 206, 207, 208,
 &end
#
#    9 LYS  HA            9 LYS  HN          3.50    (#    269:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 269, nxpk= 10, iat= 121, 119, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HB-           9 LYS  HN          4.50    (#    270:10  Unique         2.42, 3.26 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 166, 167,
 &end
#
#    0 AMB  10-2:271      9 LYS  HN          7.00    (#    271:10  Single Ambig)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=  94,  95, 148, 149,
 &end
#
#   22 GLU  HG-          23 HIS  HN          7.00    (#    272:10  Unique         3.71, 4.44 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 344, 345,
 &end
#
#   26 LEU  HG           26 LEU  HN          5.50    (#    273:10  Preassigned    4.63, 4.69 A)
 &rst
  ixpk= 273, nxpk= 10, iat= 410, 403, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ARG  HN           23 HIS  HN          7.00    (#    275:10  Unique         3.00, 3.63 A)
 &rst
  ixpk= 275, nxpk= 10, iat= 266, 352, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   16 ILE  HN           23 HIS  HN          5.50    (#    276:10  Unique         2.84, 3.04 A)
 &rst
  ixpk= 276, nxpk= 10, iat= 227, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 HIS  HA           23 HIS  HN          5.50    (#    277:10  Unique         2.95, 2.98 A)
 &rst
  ixpk= 277, nxpk= 10, iat= 354, 352, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   22 GLU  HA           23 HIS  HN          2.80    (#    278:10  Unique         2.20, 2.32 A)
 &rst
  ixpk= 278, nxpk= 10, iat= 339, 352, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 HIS  HB-          23 HIS  HN          5.50    (#    279:10  Unique         2.44, 3.08 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 356, 357,
 &end
#
#   23 HIS  HB+          23 HIS  HN          5.50    (#    280:10  Unique         2.44, 3.08 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 356, 357,
 &end
#
#   22 GLU  HB-          23 HIS  HN          7.00    (#    281:10  Unique         2.33, 3.19 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 341, 342,
 &end
#
#   16 ILE  HB           23 HIS  HN          4.50    (#    282:10  Unique         2.72, 3.16 A)
 &rst
  ixpk= 282, nxpk= 10, iat= 231, 352, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:283     23 HIS  HN          4.50    (#    283:10  Single Ambig)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 341, 342, 270, 271,
 &end
#
#   16 ILE  QD1          23 HIS  HN          7.00    (#    284:10  Unique         4.58, 6.11 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 240, 241, 242,
 &end
#
#   64 ARG  HD+          64 ARG  HN          7.00    (#    287:10  Unique         4.02, 4.60 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 966, 967,
 &end
#
#   32 TYR  HD           64 ARG  HN          7.00    (#    288:10  Unique         3.69, 5.41 A)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 496, 505,
 &end
#
#   63 GLU  HA           64 ARG  HN          2.80    (#    289:10  Unique         2.37, 2.49 A)
 &rst
  ixpk= 289, nxpk= 10, iat= 943, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 ARG  HA           64 ARG  HN          4.50    (#    290:10  Unique         2.87, 2.91 A)
 &rst
  ixpk= 290, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 ARG  HD-          64 ARG  HN          7.00    (#    291:10  Unique         4.02, 4.60 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 966, 967,
 &end
#
#   67 ASP  HB-          64 ARG  HN          4.50    (#    292:10  Unique         3.00, 3.79 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1018,1019,
 &end
#
#   63 GLU  HG+          64 ARG  HN          4.50    (#    293:10  Unique         2.14, 3.94 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 948, 949,
 &end
#
#    0 AMB  10-2:294     64 ARG  HN          2.80    (#    294:10  Single Ambig)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 948, 949, 945, 946,
 &end
#
#   64 ARG  HG-          64 ARG  HN          2.80    (#    295:10  Unique         2.31, 3.09 A)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 963, 964,
 &end
#
#   65 LEU  HN           64 ARG  HN          7.00    (#    296:10  Unique         4.52, 4.56 A)
 &rst
  ixpk= 296, nxpk= 10, iat= 980, 956, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  119 GLN  HG-         119 GLN  HN          3.50    (#    298:10  Unique         2.06, 3.07 A)
 &rst
  ixpk= 298, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1835,1836,
 &end
#
#  119 GLN  HG+         119 GLN  HN          2.80    (#    299:10  Unique         2.06, 3.07 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1835,1836,
 &end
#
#  119 GLN  HB+         119 GLN  HN          2.80    (#    300:10  Unique         2.33, 2.99 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#  117 VAL  MGY         119 GLN  HN          5.50    (#    301:10  Preassigned    5.17, 6.46 A)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  118 THR  MG2         119 GLN  HN          5.50    (#    302:10  Unique         3.21, 4.63 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1820,1821,1822,
 &end
#
#  118 THR  HN          119 GLN  HN          2.80    (#    303:10  Unique         2.58, 2.67 A)
 &rst
  ixpk= 303, nxpk= 10, iat=1814,1828, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LEU  HN          119 GLN  HN          3.50    (#    304:10  Unique         2.78, 2.86 A)
 &rst
  ixpk= 304, nxpk= 10, iat=1845,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 GLN  HA          119 GLN  HN          2.80    (#    305:10  Unique         2.82, 2.83 A)
 &rst
  ixpk= 305, nxpk= 10, iat=1830,1828, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 GLN  HB-         119 GLN  HN          2.80    (#    306:10  Unique         2.33, 2.99 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1828, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1832,1833,
 &end
#
#   68 VAL  MGY          64 ARG  HN          4.50    (#    307:10  Preassigned    3.48, 6.17 A)
 &rst
  ixpk= 307, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   81 ASP  HA           81 ASP  HN          3.50    (#    308:10  Unique         2.81, 2.86 A)
 &rst
  ixpk= 308, nxpk= 10, iat=1215,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 SER  HA           81 ASP  HN          5.50    (#    309:10  Unique         3.74, 3.94 A)
 &rst
  ixpk= 309, nxpk= 10, iat=1185,1213, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 LEU  HB+          81 ASP  HN          5.50    (#    310:10  Unique         3.19, 3.80 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1198,1199,
 &end
#
#   80 LEU  HN           81 ASP  HN          2.80    (#    311:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 311, nxpk= 10, iat=1194,1213, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   81 ASP  HB-          81 ASP  HN          2.80    (#    313:10  Unique         2.22, 2.51 A)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1217,1218,
 &end
#
#    0 AMB  10-2:314     81 ASP  HN          2.80    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1,1213, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1217,1218,1874,1875,
 &end
#
#    0 AMB  10-2:317     14 ILE  HN          4.50    (#    317:10  Single Ambig)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 178, 179, 426, 427,
 &end
#
#   14 ILE  HB           14 ILE  HN          2.80    (#    318:10  Unique         2.59, 2.65 A)
 &rst
  ixpk= 318, nxpk= 10, iat= 197, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 ILE  HA           14 ILE  HN          5.50    (#    320:10  Unique         2.99, 3.01 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 195, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   49 SER  HA           51 PHE  HN          4.50    (#    322:10  Unique         3.41, 4.00 A)
 &rst
  ixpk= 322, nxpk= 10, iat= 727, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:323     51 PHE  HN          7.00    (#    323:10  Single Ambig)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 752, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
#   51 PHE  HA           51 PHE  HN          4.50    (#    324:10  Unique         2.24, 2.83 A)
 &rst
  ixpk= 324, nxpk= 10, iat= 754, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 VAL  HA           51 PHE  HN          3.50    (#    325:10  Unique         2.72, 3.29 A)
 &rst
  ixpk= 325, nxpk= 10, iat= 738, 752, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   51 PHE  HB+          51 PHE  HN          7.00    (#    326:10  Unique         2.27, 2.93 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 756, 757,
 &end
#
#   51 PHE  HB-          51 PHE  HN          5.50    (#    327:10  Unique         2.27, 2.93 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 756, 757,
 &end
#
#  124 LYS  HN          125 SER  HN          7.00    (#    328:10  Unique         2.88, 4.60 A)
 &rst
  ixpk= 328, nxpk= 10, iat=1916,1938, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  124 LYS  HG-         125 SER  HN          5.50    (#    329:10  Unique         3.76, 4.85 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1923,1924,
 &end
#
#    0 AMB  10-2:330    125 SER  HN          7.00    (#    330:10  Single Ambig)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1382,1337,1338,
 &end
#
#   25 ALA  MB           14 ILE  HN          4.50    (#    331:10  Unique         3.63, 4.70 A)
 &rst
  ixpk= 331, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 397, 398, 399,
 &end
#
#   26 LEU  HA           14 ILE  HN          4.50    (#    332:10  Unique         3.69, 3.76 A)
 &rst
  ixpk= 332, nxpk= 10, iat= 405, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  HA           14 ILE  HN          2.80    (#    333:10  Unique         2.07, 2.15 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 176, 193, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 ILE  HG1-         14 ILE  HN          3.50    (#    334:10  Unique         2.50, 3.36 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 203, 204,
 &end
#
#   14 ILE  HG1+         14 ILE  HN          4.50    (#    335:10  Unique         2.50, 3.36 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 203, 204,
 &end
#
#   13 LEU  MDX          14 ILE  HN          3.50    (#    336:10  Preassigned    3.80, 5.42 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  10-2:337     14 ILE  HN          4.50    (#    337:10  Single Ambig)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 206, 207, 208, 199, 200, 201,
 &end
#
#   80 LEU  HG           80 LEU  HN          2.80    (#    338:10  Unique         2.01, 2.13 A)
 &rst
  ixpk= 338, nxpk= 10, iat=1201,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 LEU  MDY          80 LEU  HN          2.80    (#    339:10  Preassigned    2.98, 4.14 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1203,1204,1205,1207,1208,1209,
 &end
#
#   81 ASP  HN           80 LEU  HN          2.80    (#    340:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 340, nxpk= 10, iat=1213,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 LEU  HA           80 LEU  HN          2.80    (#    341:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 341, nxpk= 10, iat=1196,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 LEU  HB-          80 LEU  HN          2.80    (#    343:10  Unique         2.56, 3.15 A)
 &rst
  ixpk= 343, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1198,1199,
 &end
#
#    0 AMB  10-2:344    125 SER  HN          5.50    (#    344:10  Single Ambig)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1926,1927,1926,1927,
 &end
#
#  124 LYS  HA          125 SER  HN          3.50    (#    346:10  Unique         2.22, 2.40 A)
 &rst
  ixpk= 346, nxpk= 10, iat=1918,1938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:347    125 SER  HN          2.80    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1940,1445,
 &end
#
#  125 SER  HB+         125 SER  HN          2.80    (#    348:10  Unique         2.44, 3.10 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1942,1943,
 &end
#
#  124 LYS  HB-         125 SER  HN          4.50    (#    349:10  Unique         1.87, 3.29 A)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1920,1921,
 &end
#
#  124 LYS  HB+         125 SER  HN          2.80    (#    350:10  Unique         1.87, 3.29 A)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1920,1921,
 &end
#
#  124 LYS  HG+         125 SER  HN          7.00    (#    351:10  Unique         3.76, 4.85 A)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1938, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1923,1924,
 &end
#
#   24 TRP  HA           25 ALA  HN          2.80    (#    352:10  Unique         2.15, 2.25 A)
 &rst
  ixpk= 352, nxpk= 10, iat= 371, 393, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:353     25 ALA  HN          4.50    (#    353:10  Single Ambig)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1804,1805,1806,1808,1809,1810, 203, 204,
 &end
#
#   16 ILE  QD1          25 ALA  HN          4.50    (#    354:10  Unique         4.09, 5.20 A)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 240, 241, 242,
 &end
#
#   26 LEU  HN           25 ALA  HN          7.00    (#    355:10  Unique         4.37, 4.45 A)
 &rst
  ixpk= 355, nxpk= 10, iat= 403, 393, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   24 TRP  HD1          25 ALA  HN          7.00    (#    356:10  Unique         3.59, 3.94 A)
 &rst
  ixpk= 356, nxpk= 10, iat= 377, 393, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   25 ALA  HA           25 ALA  HN          5.50    (#    357:10  Unique         2.93, 2.98 A)
 &rst
  ixpk= 357, nxpk= 10, iat= 395, 393, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HB+          25 ALA  HN          4.50    (#    358:10  Unique         2.42, 3.36 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 373, 374,
 &end
#
#   14 ILE  HB           25 ALA  HN          4.50    (#    359:10  Unique         2.74, 3.16 A)
 &rst
  ixpk= 359, nxpk= 10, iat= 197, 393, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:360     25 ALA  HN          4.50    (#    360:10  Single Ambig)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1804,1805,1806,1808,1809,1810, 203, 204,
 &end
#
#   25 ALA  MB           25 ALA  HN          2.80    (#    361:10  Unique         2.68, 3.35 A)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 397, 398, 399,
 &end
#
#   14 ILE  QG2          25 ALA  HN          4.50    (#    362:10  Preassigned    4.13, 5.13 A)
 &rst
  ixpk= 362, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 199, 200, 201,
 &end
#
#    0 AMB  10-2:363     25 ALA  HN          7.00    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 548, 549,1748,
 &end
#
#   24 TRP  HB-          25 ALA  HN          5.50    (#    364:10  Unique         2.42, 3.36 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 373, 374,
 &end
#
#    0 AMB  10-2:365     87 ARG  HN          5.50    (#    365:10  Single Ambig)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1404,1405,1868,1869,1198,1199,
 &end
#
#    0 AMB  10-2:366     87 ARG  HN          2.80    (#    366:10  Single Ambig)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1305,1311,
 &end
#
#   86 PRO  HB-          87 ARG  HN          4.50    (#    367:10  Unique         2.57, 3.50 A)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1302,1303,
 &end
#
#   86 PRO  HB+          87 ARG  HN          4.50    (#    368:10  Unique         2.57, 3.50 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1302,1303,
 &end
#
#  105 LYS  HG+         105 LYS  HN          2.80    (#    369:10  Unique         2.09, 2.93 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1604,1605,
 &end
#
#   92 ILE  QD1          87 ARG  HN          4.50    (#    370:10  Unique         3.39, 4.81 A)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1407,1408,1409,
 &end
#
#  104 MET  HB-         105 LYS  HN          3.50    (#    371:10  Unique         2.03, 3.30 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1584,1585,
 &end
#
#    0 AMB  10-2:372      0 AMB  10-1:372    2.80    (#    372:10  Double Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1584,1585,1313,1314,1316,1317,
 igr2=1597,1309,
 &end
#
#   18 ARG  HG-          19 LEU  HN          7.00    (#    373:10  Unique         2.32, 3.33 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 273, 274,
 &end
#
#   19 LEU  HB-          19 LEU  HN          2.80    (#    374:10  Unique         2.30, 2.76 A)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 294, 295,
 &end
#
#    0 AMB  10-2:375     19 LEU  HN          2.80    (#    375:10  Single Ambig)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 297, 294, 295,
 &end
#
#   18 ARG  HB+          19 LEU  HN          3.50    (#    376:10  Unique         2.25, 3.59 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 270, 271,
 &end
#
#   19 LEU  HA           19 LEU  HN          2.80    (#    377:10  Unique         2.81, 2.85 A)
 &rst
  ixpk= 377, nxpk= 10, iat= 292, 290, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:378     19 LEU  HN          4.50    (#    378:10  Single Ambig)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 290, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 &end
#
#    0 AMB  10-2:379     12 ASP  HN          4.50    (#    379:10  Single Ambig)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1145,1146,1147,1149,1150,1151,1407,1408,1409,
 &end
#
#   11 GLY  HN           12 ASP  HN          2.80    (#    380:10  Unique         2.53, 2.71 A)
 &rst
  ixpk= 380, nxpk= 10, iat= 155, 162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 ASP  HA           12 ASP  HN          2.80    (#    381:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 381, nxpk= 10, iat= 164, 162, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 GLY  HA+          12 ASP  HN          3.50    (#    382:10  Unique         3.21, 3.36 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 157, 158,
 &end
#
#   10 PRO  HA           12 ASP  HN          4.50    (#    383:10  Unique         3.44, 3.66 A)
 &rst
  ixpk= 383, nxpk= 10, iat= 151, 162, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 ASP  HB-          12 ASP  HN          2.80    (#    384:10  Unique         2.35, 2.99 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 166, 167,
 &end
#
#   12 ASP  HB+          12 ASP  HN          2.80    (#    385:10  Unique         2.35, 2.99 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 166, 167,
 &end
#
#   27 TYR  HB-          12 ASP  HN          3.50    (#    387:10  Unique         2.97, 3.98 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 426, 427,
 &end
#
#    0 AMB  10-2:388     12 ASP  HN          4.50    (#    388:10  Single Ambig)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 412, 413, 414, 416, 417, 418, 112, 113,
 &end
#
#   27 TYR  HD           12 ASP  HN          7.00    (#    389:10  Unique         3.53, 5.31 A)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 430, 439,
 &end
#
#    0 AMB  10-2:390     12 ASP  HN          7.00    (#    390:10  Single Ambig)
 &rst
  ixpk= 390, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 206, 207, 208, 410,
 &end
#
#   13 LEU  HN           12 ASP  HN          7.00    (#    391:10  Unique         4.58, 4.61 A)
 &rst
  ixpk= 391, nxpk= 10, iat= 174, 162, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   27 TYR  HB+          12 ASP  HN          4.50    (#    392:10  Unique         2.97, 3.98 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 426, 427,
 &end
#
#    0 AMB  10-2:395     73 CYS  HN          2.80    (#    395:10  Single Ambig)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1,1083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1074,1085,
 &end
#
#   72 CYS  HB-          73 CYS  HN          2.80    (#    396:10  Unique         2.07, 3.26 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1,1083, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1076,1077,
 &end
#
#    0 AMB  10-2:397     73 CYS  HN          3.50    (#    397:10  Single Ambig)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,1083, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1076,1077,1087,1088,
 &end
#
#  102 GLN  HA          103 LYS  HN          2.80    (#    398:10  Unique         2.17, 2.29 A)
 &rst
  ixpk= 398, nxpk= 10, iat=1543,1558, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLN  HG+         103 LYS  HN          4.50    (#    399:10  Unique         4.08, 4.56 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1548,1549,
 &end
#
#  103 LYS  HB-         103 LYS  HN          2.80    (#    400:10  Unique         2.35, 3.08 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1562,1563,
 &end
#
#  103 LYS  HD+         103 LYS  HN          4.50    (#    401:10  Unique         2.64, 4.74 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1568,1569,
 &end
#
#    0 AMB  10-2:402    103 LYS  HN          3.50    (#    402:10  Single Ambig)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1568,1569,1565,1566,
 &end
#
#  103 LYS  HA          103 LYS  HN          3.50    (#    403:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 403, nxpk= 10, iat=1560,1558, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 GLU  HA          103 LYS  HN          7.00    (#    404:10  Unique         4.65, 4.77 A)
 &rst
  ixpk= 404, nxpk= 10, iat= 866,1558, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  104 MET  ME          103 LYS  HN          5.50    (#    405:10  Unique         3.75, 6.34 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1591,1592,1593,
 &end
#
#  103 LYS  HG+         103 LYS  HN          3.50    (#    406:10  Unique         2.70, 3.55 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1565,1566,
 &end
#
#   58 ALA  MB           59 GLU  HN          2.80    (#    407:10  Unique         2.55, 3.55 A)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 858, 859, 860,
 &end
#
#   59 GLU  HA           59 GLU  HN          4.50    (#    408:10  Unique         2.96, 2.99 A)
 &rst
  ixpk= 408, nxpk= 10, iat= 866, 864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:409      0 AMB  10-1:409    2.80    (#    409:10  Double Ambig)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 856,1536,1537,
 igr2= 864,1541,
 &end
#
#    0 AMB  10-2:410     59 GLU  HN          2.80    (#    410:10  Single Ambig)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 868, 869, 868, 869,
 &end
#
#    0 AMB  10-2:412      0 AMB  10-1:412    4.50    (#    412:10  Double Ambig)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 879, 854,1580,
 igr2=1541, 864,
 &end
#
#    0 AMB  10-2:413      0 AMB  10-1:413    5.50    (#    413:10  Double Ambig)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 565, 566, 871, 872, 871, 872,
 igr2= 864,1541,
 &end
#
#   29 GLY  HN           32 TYR  HN          5.50    (#    414:10  Unique         3.80, 4.16 A)
 &rst
  ixpk= 414, nxpk= 10, iat= 462, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 LEU  HN           32 TYR  HN          7.00    (#    415:10  Unique         4.48, 4.65 A)
 &rst
  ixpk= 415, nxpk= 10, iat= 980, 488, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:416     32 TYR  HN          4.50    (#    416:10  Single Ambig)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 496, 505, 469,
 &end
#
#   32 TYR  HA           32 TYR  HN          3.50    (#    418:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 418, nxpk= 10, iat= 490, 488, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLY  HA+          32 TYR  HN          4.50    (#    419:10  Unique         3.16, 3.32 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 483, 484,
 &end
#
#    0 AMB  10-2:420     32 TYR  HN          3.50    (#    420:10  Single Ambig)
 &rst
  ixpk= 420, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 483, 484, 958,
 &end
#
#   30 ASP  HB+          32 TYR  HN          5.50    (#    421:10  Unique         2.53, 4.00 A)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 473, 474,
 &end
#
#   32 TYR  HB-          32 TYR  HN          2.80    (#    422:10  Unique         2.27, 2.97 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 492, 493,
 &end
#
#   32 TYR  HB+          32 TYR  HN          2.80    (#    423:10  Unique         2.27, 2.97 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 492, 493,
 &end
#
#   28 ILE  HG1+         32 TYR  HN          5.50    (#    424:10  Preassigned    3.53, 4.08 A)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 453, 454,
 &end
#
#    0 AMB  10-2:425     32 TYR  HN          5.50    (#    425:10  Single Ambig)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
 &end
#
#   33 VAL  HN           32 TYR  HN          5.50    (#    427:10  Unique         4.53, 4.60 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 509, 488, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 ILE  HG1-         32 TYR  HN          4.50    (#    428:10  Preassigned    3.53, 4.08 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 453, 454,
 &end
#
#   66 GLU  HB-          68 VAL  HN          5.50    (#    429:10  Unique         4.69, 5.34 A)
 &rst
  ixpk= 429, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1003,1004,
 &end
#
#   67 ASP  HA           68 VAL  HN          5.50    (#    430:10  Unique         3.53, 3.55 A)
 &rst
  ixpk= 430, nxpk= 10, iat=1016,1026, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 ARG  HB+          68 VAL  HN          5.50    (#    431:10  Unique         3.97, 4.51 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 960, 961,
 &end
#
#  103 LYS  HA          104 MET  HN          2.80    (#    432:10  Unique         2.21, 2.27 A)
 &rst
  ixpk= 432, nxpk= 10, iat=1560,1580, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:433    104 MET  HN          3.50    (#    433:10  Single Ambig)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1,1580, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1562,1563,1584,1585,
 &end
#
#  101 GLY  HN          102 GLN  HN          2.80    (#    435:10  Unique         2.66, 2.71 A)
 &rst
  ixpk= 435, nxpk= 10, iat=1534,1541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:436      0 AMB  10-1:436    7.00    (#    436:10  Double Ambig)
 &rst
  ixpk= 436, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 582, 881, 614,
 igr2= 864,1541,
 &end
#
#   60 VAL  HB          102 GLN  HN          2.80    (#    437:10  Unique         2.71, 2.80 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 883,1541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLN  HB-         102 GLN  HN          2.80    (#    438:10  Unique         2.45, 3.07 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1545,1546,
 &end
#
#   60 VAL  MGX         102 GLN  HN          4.50    (#    439:10  Unique         3.95, 4.87 A)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  102 GLN  HA          102 GLN  HN          2.80    (#    440:10  Unique         2.89, 2.90 A)
 &rst
  ixpk= 440, nxpk= 10, iat=1543,1541, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 GLY  HA+         102 GLN  HN          4.50    (#    441:10  Unique         3.20, 3.36 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1536,1537,
 &end
#
#  100 VAL  HA          102 GLN  HN          3.50    (#    442:10  Unique         3.32, 3.44 A)
 &rst
  ixpk= 442, nxpk= 10, iat=1520,1541, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLN  HG-         102 GLN  HN          2.80    (#    443:10  Unique         2.43, 3.01 A)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#   60 VAL  MGY         102 GLN  HN          3.50    (#    444:10  Preassigned    3.95, 4.87 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   69 VAL  HN           68 VAL  HN          2.80    (#    445:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 445, nxpk= 10, iat=1042,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASP  HN           68 VAL  HN          2.80    (#    446:10  Unique         2.62, 2.74 A)
 &rst
  ixpk= 446, nxpk= 10, iat=1014,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 GLU  HA           68 VAL  HN          7.00    (#    447:10  Unique         4.51, 4.64 A)
 &rst
  ixpk= 447, nxpk= 10, iat=1001,1026, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   68 VAL  HA           68 VAL  HN          2.80    (#    448:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 448, nxpk= 10, iat=1028,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASP  HB-          68 VAL  HN          3.50    (#    449:10  Unique         2.47, 3.23 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1018,1019,
 &end
#
#   69 VAL  HB           68 VAL  HN          7.00    (#    450:10  Unique         4.87, 5.86 A)
 &rst
  ixpk= 450, nxpk= 10, iat=1046,1026, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   68 VAL  HB           68 VAL  HN          2.80    (#    451:10  Unique         2.32, 2.43 A)
 &rst
  ixpk= 451, nxpk= 10, iat=1030,1026, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:452     68 VAL  HN          5.50    (#    452:10  Single Ambig)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1048,1049,1050,1052,1053,1054, 989, 990, 991, 993,
       994, 995,
 &end
#
#    0 AMB  10-2:453     68 VAL  HN          4.50    (#    453:10  Single Ambig)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   92 ILE  HN           91 VAL  HN          2.80    (#    455:10  Unique         2.54, 2.59 A)
 &rst
  ixpk= 455, nxpk= 10, iat=1394,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   88 PRO  HA           91 VAL  HN          5.50    (#    456:10  Unique         4.53, 4.77 A)
 &rst
  ixpk= 456, nxpk= 10, iat=1343,1378, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 GLU  HA           91 VAL  HN          4.50    (#    457:10  Preassigned    3.53, 3.55 A)
 &rst
  ixpk= 457, nxpk= 10, iat=1365,1378, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HA           91 VAL  HN          2.80    (#    458:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 458, nxpk= 10, iat=1380,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 VAL  HA           91 VAL  HN          7.00    (#    459:10  Unique         3.94, 4.12 A)
 &rst
  ixpk= 459, nxpk= 10, iat=1349,1378, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:460     91 VAL  HN          7.00    (#    460:10  Single Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1396, 157, 158,
 &end
#
#   90 GLU  HG+          91 VAL  HN          3.50    (#    461:10  Unique         2.18, 2.73 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1370,1371,
 &end
#
#    0 AMB  10-2:462     91 VAL  HN          2.80    (#    462:10  Single Ambig)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1382,1337,1338,
 &end
#
#   90 GLU  HB-          91 VAL  HN          3.50    (#    463:10  Unique         3.75, 3.98 A)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1367,1368,
 &end
#
#   88 PRO  HB+          91 VAL  HN          3.50    (#    464:10  Unique         2.84, 4.02 A)
 &rst
  ixpk= 464, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1340,1341,
 &end
#
#   91 VAL  MGX          91 VAL  HN          2.80    (#    465:10  Unique         2.17, 3.89 A)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   91 VAL  MGY          91 VAL  HN          3.50    (#    466:10  Unique         2.17, 3.89 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   92 ILE  QG2          91 VAL  HN          7.00    (#    467:10  Unique         6.99, 7.11 A)
 &rst
  ixpk= 467, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1400,1401,1402,
 &end
#
#   90 GLU  HN           91 VAL  HN          2.80    (#    468:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 468, nxpk= 10, iat=1363,1378, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   88 PRO  HB-          91 VAL  HN          4.50    (#    469:10  Unique         2.84, 4.02 A)
 &rst
  ixpk= 469, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#    0 AMB  10-2:470     13 LEU  HN          7.00    (#    470:10  Single Ambig)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1173,1174,1874,1875,
 &end
#
#  103 LYS  HN          104 MET  HN          7.00    (#    471:10  Unique         4.47, 4.55 A)
 &rst
  ixpk= 471, nxpk= 10, iat=1558,1580, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   59 GLU  HA          104 MET  HN          5.50    (#    472:10  Unique         3.14, 3.51 A)
 &rst
  ixpk= 472, nxpk= 10, iat= 866,1580, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   33 VAL  HA           28 ILE  HN          3.50    (#    473:10  Unique         2.63, 2.74 A)
 &rst
  ixpk= 473, nxpk= 10, iat= 511, 443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 ILE  HA           28 ILE  HN          3.50    (#    475:10  Preassigned    3.00, 3.01 A)
 &rst
  ixpk= 475, nxpk= 10, iat= 445, 443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 ILE  QG2          28 ILE  HN          3.50    (#    476:10  Preassigned    2.70, 3.58 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1, 443, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 449, 450, 451,
 &end
#
#   28 ILE  HG1-         28 ILE  HN          2.80    (#    477:10  Unique         2.15, 2.71 A)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 453, 454,
 &end
#
#   93 ILE  HN           91 VAL  HN          7.00    (#    478:10  Unique         4.15, 4.23 A)
 &rst
  ixpk= 478, nxpk= 10, iat=1413,1378, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   78 ASN  HD2+         13 LEU  HN          5.50    (#    479:10  Unique         3.34, 4.23 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#   13 LEU  HA           13 LEU  HN          3.50    (#    480:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 176, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HB-          13 LEU  HN          5.50    (#    481:10  Unique         2.56, 3.43 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 166, 167,
 &end
#
#   13 LEU  HB-          13 LEU  HN          2.80    (#    482:10  Unique         2.19, 3.00 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 178, 179,
 &end
#
#   13 LEU  HG           13 LEU  HN          4.50    (#    483:10  Unique         2.56, 3.09 A)
 &rst
  ixpk= 483, nxpk= 10, iat= 181, 174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  HB+          13 LEU  HN          4.50    (#    484:10  Unique         2.19, 3.00 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 178, 179,
 &end
#
#    0 AMB  10-2:485      0 AMB  10-1:485    4.50    (#    485:10  Double Ambig)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 183, 184, 185, 187, 188, 189, 407, 408,
 igr2= 174, 525,
 &end
#
#   85 GLN  HA           85 GLN  HN          2.80    (#    487:10  Unique         2.84, 2.88 A)
 &rst
  ixpk= 487, nxpk= 10, iat=1280,1278, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 TYR  HB-          85 GLN  HN          2.80    (#    488:10  Unique         2.30, 2.95 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1261,1262,
 &end
#
#   85 GLN  HG+          85 GLN  HN          2.80    (#    489:10  Unique         2.24, 3.14 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1285,1286,
 &end
#
#   85 GLN  HB+          85 GLN  HN          2.80    (#    490:10  Unique         2.31, 2.98 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1,1278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1282,1283,
 &end
#
#   27 TYR  HA           28 ILE  HN          2.80    (#    491:10  Unique         2.13, 2.18 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 424, 443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ILE  QG2          34 ILE  HN          4.50    (#    492:10  Unique         4.15, 4.58 A)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 531, 532, 533,
 &end
#
#   33 VAL  HA           34 ILE  HN          2.80    (#    493:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 511, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   33 VAL  HB           34 ILE  HN          2.80    (#    494:10  Unique         2.38, 2.55 A)
 &rst
  ixpk= 494, nxpk= 10, iat= 513, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 ILE  HB           34 ILE  HN          2.80    (#    495:10  Unique         2.46, 2.51 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 529, 525, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:496     34 ILE  HN          3.50    (#    496:10  Single Ambig)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 535, 536, 397, 398, 399,
 &end
#
#    0 AMB  10-2:497     34 ILE  HN          3.50    (#    497:10  Single Ambig)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 449, 450, 451, 515, 516, 517, 519, 520, 521,
 &end
#
#   28 ILE  QD1          34 ILE  HN          4.50    (#    498:10  Unique         4.79, 5.71 A)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 456, 457, 458,
 &end
#
#   26 LEU  HG           34 ILE  HN          7.00    (#    499:10  Preassigned    5.37, 5.52 A)
 &rst
  ixpk= 499, nxpk= 10, iat= 410, 525, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   33 VAL  MGY          34 ILE  HN          4.50    (#    500:10  Unique         3.62, 4.53 A)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   80 LEU  HB+          84 TYR  HN          4.50    (#    501:10  Unique         3.58, 4.39 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1198,1199,
 &end
#
#   84 TYR  HE           84 TYR  HN          4.50    (#    502:10  Unique         4.68, 5.23 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1267,1272,
 &end
#
#   81 ASP  HA           84 TYR  HN          5.50    (#    503:10  Unique         3.72, 3.97 A)
 &rst
  ixpk= 503, nxpk= 10, iat=1215,1257, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:504     84 TYR  HN          4.50    (#    504:10  Single Ambig)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1196,1227,
 &end
#
#   84 TYR  HB-          84 TYR  HN          2.80    (#    505:10  Unique         2.70, 3.30 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1261,1262,
 &end
#
#   84 TYR  HB+          84 TYR  HN          2.80    (#    506:10  Unique         2.70, 3.30 A)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1261,1262,
 &end
#
#    0 AMB  10-2:507     84 TYR  HN          5.50    (#    507:10  Single Ambig)
 &rst
  ixpk= 507, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1249,1250,1249,1250,
 &end
#
#   83 GLU  HN           84 TYR  HN          2.80    (#    508:10  Unique         2.11, 2.22 A)
 &rst
  ixpk= 508, nxpk= 10, iat=1242,1257, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 GLU  HA           84 TYR  HN          3.50    (#    509:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 509, nxpk= 10, iat=1244,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 GLU  HB+          84 TYR  HN          2.80    (#    510:10  Unique         2.38, 2.98 A)
 &rst
  ixpk= 510, nxpk= 10, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1246,1247,
 &end
#
#   99 MET  HB-         100 VAL  HN          3.50    (#    511:10  Unique         2.76, 3.26 A)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1505,1506,
 &end
#
#  101 GLY  HN          100 VAL  HN          7.00    (#    512:10  Unique         4.56, 4.58 A)
 &rst
  ixpk= 512, nxpk= 10, iat=1534,1518, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   98 GLU  HN          100 VAL  HN          5.50    (#    513:10  Unique         4.17, 4.34 A)
 &rst
  ixpk= 513, nxpk= 10, iat=1486,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  HA          100 VAL  HN          2.80    (#    514:10  Unique         2.75, 2.79 A)
 &rst
  ixpk= 514, nxpk= 10, iat=1520,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 VAL  MGY         100 VAL  HN          3.50    (#    515:10  Unique         2.16, 3.93 A)
 &rst
  ixpk= 515, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   60 VAL  MGX         100 VAL  HN          2.80    (#    516:10  Preassigned    3.07, 4.72 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   74 TYR  HE           74 TYR  HN          5.50    (#    517:10  Unique         4.65, 5.47 A)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1104,1109,
 &end
#
#    0 AMB  10-2:518     74 TYR  HN          5.50    (#    518:10  Single Ambig)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1115,1083,
 &end
#
#   74 TYR  HD           74 TYR  HN          3.50    (#    519:10  Unique         2.71, 3.95 A)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1102,1111,
 &end
#
#   74 TYR  HA           74 TYR  HN          4.50    (#    520:10  Unique         2.89, 2.91 A)
 &rst
  ixpk= 520, nxpk= 10, iat=1096,1094, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 CYS  HA           74 TYR  HN          2.80    (#    521:10  Unique         2.33, 2.41 A)
 &rst
  ixpk= 521, nxpk= 10, iat=1085,1094, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   73 CYS  HB+          74 TYR  HN          3.50    (#    522:10  Unique         2.46, 3.46 A)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1087,1088,
 &end
#
#    0 AMB  10-2:525    115 HIS  HN          3.50    (#    525:10  Single Ambig)
 &rst
  ixpk= 525, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1763,1699,
 &end
#
#    0 AMB  10-2:526    115 HIS  HN          2.80    (#    526:10  Single Ambig)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1765,1766,1765,1766,
 &end
#
#  114 GLU  HB-         115 HIS  HN          4.50    (#    527:10  Unique         2.23, 3.32 A)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1750,1751,
 &end
#
#  117 VAL  MGY         115 HIS  HN          5.50    (#    528:10  Unique         5.04, 6.72 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  114 GLU  HG+         115 HIS  HN          5.50    (#    529:10  Unique         2.09, 3.88 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1761, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1753,1754,
 &end
#
#    0 AMB  10-2:531     83 GLU  HN          5.50    (#    531:10  Single Ambig)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1203,1204,1205,1207,1208,1209,1203,1204,1205,1207,
      1208,1209,
 &end
#
#   84 TYR  HN           83 GLU  HN          2.80    (#    532:10  Unique         2.11, 2.22 A)
 &rst
  ixpk= 532, nxpk= 10, iat=1257,1242, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:534     83 GLU  HN          3.50    (#    534:10  Single Ambig)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1196,1227,
 &end
#
#   82 HIS  HB+          83 GLU  HN          4.50    (#    535:10  Unique         3.26, 4.06 A)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1229,1230,
 &end
#
#    0 AMB  10-2:536     83 GLU  HN          2.80    (#    536:10  Single Ambig)
 &rst
  ixpk= 536, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1249,1250,1249,1250,
 &end
#
#   84 TYR  HB-          83 GLU  HN          7.00    (#    537:10  Unique         4.64, 5.46 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1261,1262,
 &end
#
#   96 ALA  MB          100 VAL  HN          7.00    (#    538:10  Unique         5.01, 5.75 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1458,1459,1460,
 &end
#
#   99 MET  HN          100 VAL  HN          2.80    (#    539:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 539, nxpk= 10, iat=1501,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 MET  HA          100 VAL  HN          4.50    (#    540:10  Unique         3.51, 3.58 A)
 &rst
  ixpk= 540, nxpk= 10, iat=1503,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 LYS  HA          100 VAL  HN          4.50    (#    541:10  Unique         3.35, 3.43 A)
 &rst
  ixpk= 541, nxpk= 10, iat=1466,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HB          100 VAL  HN          2.80    (#    542:10  Unique         2.28, 2.59 A)
 &rst
  ixpk= 542, nxpk= 10, iat=1522,1518, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:543    100 VAL  HN          5.50    (#    543:10  Single Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1468,1469,1468,1469,
 &end
#
#  100 VAL  MGX         100 VAL  HN          3.50    (#    544:10  Unique         2.16, 3.93 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   98 GLU  HA          100 VAL  HN          7.00    (#    545:10  Unique         4.20, 4.62 A)
 &rst
  ixpk= 545, nxpk= 10, iat=1488,1518, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   70 GLY  HA-          72 CYS  HN          5.50    (#    546:10  Unique         3.33, 4.02 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1060,1061,
 &end
#
#   70 GLY  HA+          72 CYS  HN          7.00    (#    547:10  Unique         3.33, 4.02 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1060,1061,
 &end
#
#   73 CYS  HN           72 CYS  HN          7.00    (#    548:10  Unique         4.34, 4.60 A)
 &rst
  ixpk= 548, nxpk= 10, iat=1083,1072, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   72 CYS  HA           72 CYS  HN          3.50    (#    550:10  Unique         2.89, 2.95 A)
 &rst
  ixpk= 550, nxpk= 10, iat=1074,1072, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 CYS  HB-          72 CYS  HN          3.50    (#    552:10  Unique         2.47, 3.11 A)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1076,1077,
 &end
#
#   72 CYS  HB+          72 CYS  HN          2.80    (#    553:10  Unique         2.47, 3.11 A)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1076,1077,
 &end
#
#   16 ILE  QG2          72 CYS  HN          5.50    (#    554:10  Unique         4.89, 5.52 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 233, 234, 235,
 &end
#
#   69 VAL  MGY          72 CYS  HN          4.50    (#    555:10  Unique         3.36, 5.55 A)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  MGX          72 CYS  HN          7.00    (#    556:10  Unique         3.36, 5.55 A)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1,1072, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   84 TYR  HE           83 GLU  HN          5.50    (#    557:10  Unique         5.30, 6.32 A)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1267,1272,
 &end
#
#   83 GLU  HA           83 GLU  HN          3.50    (#    558:10  Unique         2.96, 2.98 A)
 &rst
  ixpk= 558, nxpk= 10, iat=1244,1242, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 TYR  HB+          83 GLU  HN          7.00    (#    559:10  Unique         4.64, 5.46 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1261,1262,
 &end
#
#   83 GLU  HB+          83 GLU  HN          2.80    (#    560:10  Unique         2.44, 3.10 A)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1246,1247,
 &end
#
#   66 GLU  HN           67 ASP  HN          3.50    (#    563:10  Unique         2.91, 2.97 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 999,1014, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HN           67 ASP  HN          2.80    (#    564:10  Unique         2.62, 2.74 A)
 &rst
  ixpk= 564, nxpk= 10, iat=1026,1014, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASP  HA           67 ASP  HN          2.80    (#    565:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 565, nxpk= 10, iat=1016,1014, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:566     67 ASP  HN          5.50    (#    566:10  Single Ambig)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 982,1028,
 &end
#
#   67 ASP  HB+          67 ASP  HN          2.80    (#    567:10  Unique         2.19, 2.63 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1018,1019,
 &end
#
#    0 AMB  10-2:568     67 ASP  HN          3.50    (#    568:10  Single Ambig)
 &rst
  ixpk= 568, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1006,1007, 948, 949, 945, 946,
 &end
#
#   66 GLU  HB-          67 ASP  HN          2.80    (#    569:10  Unique         2.06, 2.99 A)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1003,1004,
 &end
#
#   64 ARG  HB+          67 ASP  HN          2.80    (#    570:10  Unique         2.32, 2.92 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   68 VAL  HB           67 ASP  HN          7.00    (#    571:10  Unique         4.69, 4.85 A)
 &rst
  ixpk= 571, nxpk= 10, iat=1030,1014, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   68 VAL  MGY          67 ASP  HN          4.50    (#    572:10  Preassigned    4.48, 6.42 A)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   69 VAL  HN           67 ASP  HN          7.00    (#    573:10  Unique         4.20, 4.38 A)
 &rst
  ixpk= 573, nxpk= 10, iat=1042,1014, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  120 LEU  MDX          95 SER  HN          5.50    (#    576:10  Unique         5.06, 6.78 A)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#   78 ASN  HA           79 SER  HN          2.80    (#    578:10  Unique         2.27, 2.55 A)
 &rst
  ixpk= 578, nxpk= 10, iat=1171,1183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 SER  HA           79 SER  HN          2.80    (#    579:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 579, nxpk= 10, iat=1185,1183, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   13 LEU  MDY          79 SER  HN          3.50    (#    580:10  Unique         2.38, 5.60 A)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1,1183, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   77 ASN  HA           79 SER  HN          5.50    (#    581:10  Unique         3.98, 4.32 A)
 &rst
  ixpk= 581, nxpk= 10, iat=1157,1183, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  124 LYS  HG-         124 LYS  HN          5.50    (#    582:10  Unique         2.03, 2.97 A)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1923,1924,
 &end
#
#  123 GLY  HN          124 LYS  HN          4.50    (#    583:10  Unique         2.62, 2.92 A)
 &rst
  ixpk= 583, nxpk= 10, iat=1909,1916, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  124 LYS  HA          124 LYS  HN          2.80    (#    584:10  Unique         2.28, 2.78 A)
 &rst
  ixpk= 584, nxpk= 10, iat=1918,1916, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  123 GLY  HA-         124 LYS  HN          4.50    (#    585:10  Unique         2.70, 3.26 A)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1911,1912,
 &end
#
#  123 GLY  HA+         124 LYS  HN          3.50    (#    587:10  Unique         2.70, 3.26 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1911,1912,
 &end
#
#  122 TYR  HB-         124 LYS  HN          5.50    (#    588:10  Preassigned    5.03, 5.52 A)
 &rst
  ixpk= 588, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1892,1893,
 &end
#
#    0 AMB  10-2:589    124 LYS  HN          4.50    (#    589:10  Single Ambig)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1929,1930,1929,1930,1892,1893,
 &end
#
#  124 LYS  HB-         124 LYS  HN          4.50    (#    590:10  Unique         2.35, 3.02 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1920,1921,
 &end
#
#  124 LYS  HB+         124 LYS  HN          3.50    (#    591:10  Unique         2.35, 3.02 A)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1920,1921,
 &end
#
#  124 LYS  HG+         124 LYS  HN          5.50    (#    592:10  Unique         2.03, 2.97 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,1916, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1923,1924,
 &end
#
#   92 ILE  QG2         120 LEU  HN          5.50    (#    593:10  Preassigned    5.07, 6.18 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1400,1401,1402,
 &end
#
#   94 SER  HN           95 SER  HN          2.80    (#    594:10  Unique         2.74, 2.80 A)
 &rst
  ixpk= 594, nxpk= 10, iat=1432,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   95 SER  HA           95 SER  HN          2.80    (#    595:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 595, nxpk= 10, iat=1445,1443, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 SER  HA           95 SER  HN          3.50    (#    596:10  Unique         3.53, 3.55 A)
 &rst
  ixpk= 596, nxpk= 10, iat=1434,1443, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:597     95 SER  HN          2.80    (#    597:10  Single Ambig)
 &rst
  ixpk= 597, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1447,1448,1436,1437,
 &end
#
#   95 SER  HB-          95 SER  HN          2.80    (#    598:10  Unique         2.25, 2.82 A)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1447,1448,
 &end
#
#    0 AMB  10-2:599     95 SER  HN          7.00    (#    599:10  Single Ambig)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1=1468,1469,1468,1469,1417,
 &end
#
#   96 ALA  MB           95 SER  HN          4.50    (#    600:10  Unique         4.83, 5.38 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1458,1459,1460,
 &end
#
#    0 AMB  10-2:601     95 SER  HN          5.50    (#    601:10  Single Ambig)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1384,1385,1386,1388,1389,1390,1419,1420,1421,
 &end
#
#   78 ASN  HN           79 SER  HN          4.50    (#    602:10  Unique         3.50, 3.75 A)
 &rst
  ixpk= 602, nxpk= 10, iat=1169,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:603     79 SER  HN          2.80    (#    603:10  Single Ambig)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1,1183, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1187,1188,1187,1188,
 &end
#
#    0 AMB  10-2:606    120 LEU  HN          5.50    (#    606:10  Single Ambig)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
 igr1=1868,1869,1820,1821,1822,1804,1805,1806,1808,1809,
      1810,
 &end
#
#  120 LEU  HB+         120 LEU  HN          2.80    (#    607:10  Unique         2.49, 3.10 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1849,1850,
 &end
#
#  119 GLN  HN          120 LEU  HN          2.80    (#    608:10  Unique         2.78, 2.86 A)
 &rst
  ixpk= 608, nxpk= 10, iat=1828,1845, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 ARG  HN          120 LEU  HN          3.50    (#    609:10  Unique         2.67, 2.76 A)
 &rst
  ixpk= 609, nxpk= 10, iat=1864,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:610    120 LEU  HN          3.50    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1847,1800,
 &end
#
#    0 AMB  10-2:611    120 LEU  HN          7.00    (#    611:10  Single Ambig)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1835,1836,1802,
 &end
#
#  119 GLN  HG+         120 LEU  HN          7.00    (#    612:10  Unique         4.44, 5.05 A)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1835,1836,
 &end
#
#  119 GLN  HB-         120 LEU  HN          4.50    (#    613:10  Unique         2.93, 3.47 A)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1832,1833,
 &end
#
#  119 GLN  HB+         120 LEU  HN          3.50    (#    614:10  Preassigned    2.93, 3.47 A)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1832,1833,
 &end
#
#  120 LEU  HB-         120 LEU  HN          2.80    (#    615:10  Unique         2.49, 3.10 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1849,1850,
 &end
#
#  120 LEU  HG          120 LEU  HN          3.50    (#    616:10  Preassigned    2.05, 2.25 A)
 &rst
  ixpk= 616, nxpk= 10, iat=1852,1845, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LEU  MDX         120 LEU  HN          7.00    (#    617:10  Unique         4.93, 6.77 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#  120 LEU  MDX         120 LEU  HN          3.50    (#    618:10  Unique         3.32, 4.30 A)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  120 LEU  MDY         120 LEU  HN          3.50    (#    619:10  Unique         3.32, 4.30 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  119 GLN  HN          118 THR  HN          3.50    (#    620:10  Unique         2.58, 2.67 A)
 &rst
  ixpk= 620, nxpk= 10, iat=1828,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  HN          118 THR  HN          3.50    (#    621:10  Unique         2.45, 2.75 A)
 &rst
  ixpk= 621, nxpk= 10, iat=1798,1814, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 THR  HB          118 THR  HN          4.50    (#    623:10  Unique         2.23, 3.24 A)
 &rst
  ixpk= 623, nxpk= 10, iat=1818,1814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 VAL  HA          118 THR  HN          7.00    (#    624:10  Unique         3.47, 3.54 A)
 &rst
  ixpk= 624, nxpk= 10, iat=1800,1814, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  117 VAL  MGY         118 THR  HN          2.80    (#    625:10  Unique         2.61, 4.33 A)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1,1814, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#    0 AMB  10-2:626    118 THR  HN          3.50    (#    626:10  Single Ambig)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1,1814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1820,1821,1822,1804,1805,1806,1808,1809,1810,
 &end
#
#   88 PRO  HG+          90 GLU  HN          5.50    (#    629:10  Unique         5.00, 5.70 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1337,1338,
 &end
#
#  118 THR  HA          118 THR  HN          4.50    (#    630:10  Unique         2.82, 2.89 A)
 &rst
  ixpk= 630, nxpk= 10, iat=1816,1814, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 TYR  HN          121 ARG  HN          2.80    (#    632:10  Unique         2.35, 2.44 A)
 &rst
  ixpk= 632, nxpk= 10, iat=1888,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LEU  HN          121 ARG  HN          2.80    (#    633:10  Unique         2.67, 2.76 A)
 &rst
  ixpk= 633, nxpk= 10, iat=1845,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  118 THR  HA          121 ARG  HN          5.50    (#    634:10  Unique         3.39, 3.69 A)
 &rst
  ixpk= 634, nxpk= 10, iat=1816,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LEU  HB-         121 ARG  HN          4.50    (#    635:10  Unique         2.76, 3.38 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1849,1850,
 &end
#
#   13 LEU  MDX         121 ARG  HN          4.50    (#    636:10  Unique         4.38, 5.97 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#  120 LEU  MDY         121 ARG  HN          5.50    (#    637:10  Unique         5.06, 5.84 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  121 ARG  HB+         121 ARG  HN          2.80    (#    638:10  Unique         2.42, 2.64 A)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1868,1869,
 &end
#
#  120 LEU  HB+         121 ARG  HN          4.50    (#    639:10  Unique         2.76, 3.38 A)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1849,1850,
 &end
#
#   92 ILE  QG2         121 ARG  HN          4.50    (#    640:10  Preassigned    3.55, 4.74 A)
 &rst
  ixpk= 640, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1400,1401,1402,
 &end
#
#    0 AMB  10-2:641    121 ARG  HN          7.00    (#    641:10  Single Ambig)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
 igr1=1854,1855,1856,1858,1859,1860, 410,
 &end
#
#   89 VAL  HN           90 GLU  HN          3.50    (#    642:10  Unique         2.87, 3.02 A)
 &rst
  ixpk= 642, nxpk= 10, iat=1347,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HN           90 GLU  HN          7.00    (#    643:10  Unique         4.87, 4.91 A)
 &rst
  ixpk= 643, nxpk= 10, iat=1413,1363, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   92 ILE  HN           90 GLU  HN          7.00    (#    644:10  Unique         4.24, 4.29 A)
 &rst
  ixpk= 644, nxpk= 10, iat=1394,1363, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   91 VAL  HN           90 GLU  HN          3.50    (#    645:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 645, nxpk= 10, iat=1378,1363, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   88 PRO  HA           90 GLU  HN          7.00    (#    647:10  Unique         3.93, 4.15 A)
 &rst
  ixpk= 647, nxpk= 10, iat=1343,1363, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   90 GLU  HA           90 GLU  HN          2.80    (#    648:10  Unique         2.82, 2.82 A)
 &rst
  ixpk= 648, nxpk= 10, iat=1365,1363, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 VAL  HA           90 GLU  HN          5.50    (#    649:10  Unique         3.52, 3.56 A)
 &rst
  ixpk= 649, nxpk= 10, iat=1349,1363, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 GLU  HG+          90 GLU  HN          2.80    (#    650:10  Unique         2.23, 2.94 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1370,1371,
 &end
#
#   90 GLU  HB-          90 GLU  HN          2.80    (#    651:10  Unique         2.50, 3.09 A)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1367,1368,
 &end
#
#   88 PRO  HB+          90 GLU  HN          4.50    (#    652:10  Unique         3.53, 4.32 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1340,1341,
 &end
#
#   89 VAL  MGX          90 GLU  HN          4.50    (#    653:10  Unique         2.46, 4.33 A)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   89 VAL  MGY          90 GLU  HN          4.50    (#    654:10  Unique         2.46, 4.33 A)
 &rst
  ixpk= 654, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   88 PRO  HB-          90 GLU  HN          5.50    (#    655:10  Unique         3.53, 4.32 A)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1340,1341,
 &end
#
#   70 GLY  HA-          69 VAL  HN          7.00    (#    656:10  Unique         4.87, 5.03 A)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1060,1061,
 &end
#
#   66 GLU  HA           69 VAL  HN          5.50    (#    657:10  Unique         3.64, 3.77 A)
 &rst
  ixpk= 657, nxpk= 10, iat=1001,1042, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 VAL  HA           69 VAL  HN          4.50    (#    658:10  Unique         3.57, 3.63 A)
 &rst
  ixpk= 658, nxpk= 10, iat=1028,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  HA           69 VAL  HN          3.50    (#    659:10  Unique         2.85, 2.87 A)
 &rst
  ixpk= 659, nxpk= 10, iat=1044,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 VAL  HB           69 VAL  HN          3.50    (#    660:10  Unique         2.36, 3.14 A)
 &rst
  ixpk= 660, nxpk= 10, iat=1046,1042, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 ARG  HB-          69 VAL  HN          7.00    (#    661:10  Unique         6.26, 6.67 A)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 960, 961,
 &end
#
#   68 VAL  HB           69 VAL  HN          2.80    (#    662:10  Unique         2.65, 2.78 A)
 &rst
  ixpk= 662, nxpk= 10, iat=1030,1042, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 VAL  MGX          69 VAL  HN          2.80    (#    663:10  Preassigned    2.20, 3.47 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#    0 AMB  10-2:664     69 VAL  HN          2.80    (#    664:10  Single Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1058,1026,
 &end
#
#  116 PHE  HB-         116 PHE  HN          2.80    (#    665:10  Unique         2.20, 2.52 A)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1782,1783,
 &end
#
#  116 PHE  HD          116 PHE  HN          5.50    (#    666:10  Unique         4.27, 4.66 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1786,1794,
 &end
#
#  116 PHE  HA          116 PHE  HN          2.80    (#    667:10  Unique         2.80, 2.84 A)
 &rst
  ixpk= 667, nxpk= 10, iat=1780,1778, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 PHE  HB+         116 PHE  HN          2.80    (#    668:10  Unique         2.20, 2.52 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1782,1783,
 &end
#
#   36 LEU  MDY         116 PHE  HN          7.00    (#    669:10  Unique         4.00, 6.34 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#  121 ARG  HA          121 ARG  HN          3.50    (#    670:10  Unique         2.95, 2.98 A)
 &rst
  ixpk= 670, nxpk= 10, iat=1866,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 ARG  HB-         121 ARG  HN          2.80    (#    671:10  Unique         2.42, 2.64 A)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1868,1869,
 &end
#
#   97 LYS  HA           98 GLU  HN          3.50    (#    673:10  Preassigned    3.53, 3.57 A)
 &rst
  ixpk= 673, nxpk= 10, iat=1466,1486, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:674     98 GLU  HN          7.00    (#    674:10  Single Ambig)
 &rst
  ixpk= 674, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1471,1472, 535, 536,
 &end
#
#  100 VAL  MGX          98 GLU  HN          7.00    (#    675:10  Unique         4.86, 7.15 A)
 &rst
  ixpk= 675, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   34 ILE  QD1          98 GLU  HN          7.00    (#    676:10  Unique         5.29, 5.92 A)
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 538, 539, 540,
 &end
#
#   97 LYS  HN           98 GLU  HN          2.80    (#    677:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 677, nxpk= 10, iat=1464,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   96 ALA  HN           98 GLU  HN          4.50    (#    678:10  Unique         4.15, 4.27 A)
 &rst
  ixpk= 678, nxpk= 10, iat=1454,1486, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HN           98 GLU  HN          5.50    (#    679:10  Unique         4.17, 4.34 A)
 &rst
  ixpk= 679, nxpk= 10, iat=1518,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 GLU  HA           98 GLU  HN          2.80    (#    680:10  Unique         2.84, 2.86 A)
 &rst
  ixpk= 680, nxpk= 10, iat=1488,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 GLU  HG-          98 GLU  HN          2.80    (#    681:10  Unique         2.57, 3.19 A)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1493,1494,
 &end
#
#   98 GLU  HG+          98 GLU  HN          2.80    (#    682:10  Unique         2.57, 3.19 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1493,1494,
 &end
#
#    0 AMB  10-2:684     98 GLU  HN          2.80    (#    684:10  Single Ambig)
 &rst
  ixpk= 684, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1490,1491,1490,1491,
 &end
#
#    0 AMB  10-2:685     98 GLU  HN          2.80    (#    685:10  Single Ambig)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1468,1469,1468,1469,
 &end
#
#   99 MET  HG+          98 GLU  HN          7.00    (#    686:10  Unique         4.41, 5.27 A)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1508,1509,
 &end
#
#   96 ALA  MB           98 GLU  HN          5.50    (#    687:10  Unique         5.02, 5.61 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  -1,1486, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1458,1459,1460,
 &end
#
#  102 GLN  HN          101 GLY  HN          2.80    (#    688:10  Unique         2.66, 2.71 A)
 &rst
  ixpk= 688, nxpk= 10, iat=1541,1534, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  101 GLY  HA-         101 GLY  HN          2.80    (#    689:10  Unique         2.35, 2.67 A)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1536,1537,
 &end
#
#  100 VAL  HA          101 GLY  HN          2.80    (#    690:10  Unique         2.06, 2.08 A)
 &rst
  ixpk= 690, nxpk= 10, iat=1520,1534, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HB          101 GLY  HN          2.80    (#    691:10  Unique         2.71, 2.81 A)
 &rst
  ixpk= 691, nxpk= 10, iat= 883,1534, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:692    101 GLY  HN          4.50    (#    692:10  Single Ambig)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1522,1545,1546,
 &end
#
#  100 VAL  MGY         101 GLY  HN          3.50    (#    693:10  Unique         2.56, 4.07 A)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   60 VAL  MGX         101 GLY  HN          3.50    (#    694:10  Preassigned    3.70, 4.93 A)
 &rst
  ixpk= 694, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  100 VAL  MGX         101 GLY  HN          3.50    (#    695:10  Unique         2.56, 4.07 A)
 &rst
  ixpk= 695, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  10-2:696     69 VAL  HN          7.00    (#    696:10  Single Ambig)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1014,1102,1111,
 &end
#
#   69 VAL  MGY          69 VAL  HN          2.80    (#    697:10  Unique         2.20, 3.47 A)
 &rst
  ixpk= 697, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   36 LEU  HB+         116 PHE  HN          7.00    (#    698:10  Unique         4.77, 5.98 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 565, 566,
 &end
#
#  117 VAL  HN          116 PHE  HN          3.50    (#    699:10  Unique         2.48, 2.93 A)
 &rst
  ixpk= 699, nxpk= 10, iat=1798,1778, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   21 TYR  HB-          22 GLU  HN          3.50    (#    700:10  Unique         2.20, 3.50 A)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 337, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 320, 321,
 &end
#
#   22 GLU  HB-          22 GLU  HN          4.50    (#    701:10  Unique         2.32, 3.13 A)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 337, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 341, 342,
 &end
#
#  101 GLY  HA+         101 GLY  HN          2.80    (#    702:10  Unique         2.35, 2.67 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1536,1537,
 &end
#
#   60 VAL  MGY         101 GLY  HN          5.50    (#    703:10  Unique         3.70, 4.93 A)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,1534, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#   21 TYR  HA           22 GLU  HN          2.80    (#    704:10  Unique         2.06, 2.24 A)
 &rst
  ixpk= 704, nxpk= 10, iat= 318, 337, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   22 GLU  HA           22 GLU  HN          7.00    (#    705:10  Unique         2.79, 2.89 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 339, 337, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   22 GLU  HB+          22 GLU  HN          5.50    (#    706:10  Unique         2.32, 3.13 A)
 &rst
  ixpk= 706, nxpk= 10, iat=  -1, 337, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 341, 342,
 &end
#
#   28 ILE  QD1          97 LYS  HN          7.00    (#    709:10  Unique         5.38, 6.67 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 456, 457, 458,
 &end
#
#   98 GLU  HN           97 LYS  HN          2.80    (#    710:10  Unique         2.81, 2.82 A)
 &rst
  ixpk= 710, nxpk= 10, iat=1486,1464, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:711     97 LYS  HN          2.80    (#    711:10  Single Ambig)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1468,1469,1468,1469,
 &end
#
#   97 LYS  HG+          97 LYS  HN          3.50    (#    712:10  Unique         2.37, 3.05 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1471,1472,
 &end
#
#   96 ALA  MB           97 LYS  HN          2.80    (#    713:10  Unique         2.45, 3.32 A)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1458,1459,1460,
 &end
#
#   34 ILE  QG2          97 LYS  HN          4.50    (#    714:10  Unique         4.43, 5.66 A)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 531, 532, 533,
 &end
#
#   99 MET  HN           97 LYS  HN          7.00    (#    715:10  Unique         4.16, 4.20 A)
 &rst
  ixpk= 715, nxpk= 10, iat=1501,1464, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   94 SER  HA           97 LYS  HN          4.50    (#    716:10  Unique         3.26, 3.38 A)
 &rst
  ixpk= 716, nxpk= 10, iat=1434,1464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 LYS  HA           97 LYS  HN          2.80    (#    717:10  Unique         2.85, 2.85 A)
 &rst
  ixpk= 717, nxpk= 10, iat=1466,1464, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:718     97 LYS  HN          5.50    (#    718:10  Single Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1490,1491,1490,1491,
 &end
#
#   97 LYS  HG-          97 LYS  HN          3.50    (#    719:10  Unique         2.37, 3.05 A)
 &rst
  ixpk= 719, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1471,1472,
 &end
#
#  100 VAL  MGX          97 LYS  HN          7.00    (#    720:10  Unique         4.87, 6.76 A)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  10-2:721     97 LYS  HN          4.50    (#    721:10  Single Ambig)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 538, 539, 540, 449, 450, 451,
 &end
#
#   20 GLY  HN           21 TYR  HN          4.50    (#    722:10  Unique         2.71, 3.43 A)
 &rst
  ixpk= 722, nxpk= 10, iat= 309, 316, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   21 TYR  HD           21 TYR  HN          4.50    (#    723:10  Unique         2.57, 4.31 A)
 &rst
  ixpk= 723, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 324, 333,
 &end
#
#   21 TYR  HA           21 TYR  HN          2.80    (#    724:10  Unique         2.25, 2.87 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 318, 316, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   20 GLY  HA+          21 TYR  HN          5.50    (#    726:10  Unique         2.11, 3.10 A)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 311, 312,
 &end
#
#   21 TYR  HB-          21 TYR  HN          5.50    (#    727:10  Unique         2.43, 3.38 A)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 320, 321,
 &end
#
#   21 TYR  HB+          21 TYR  HN          5.50    (#    728:10  Unique         2.43, 3.38 A)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 320, 321,
 &end
#
#   18 ARG  HB+          21 TYR  HN          7.00    (#    729:10  Unique         3.14, 4.95 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 270, 271,
 &end
#
#   22 GLU  HN           21 TYR  HN          7.00    (#    730:10  Unique         3.95, 4.37 A)
 &rst
  ixpk= 730, nxpk= 10, iat= 337, 316, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:733     20 GLY  HN          5.50    (#    733:10  Single Ambig)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 299, 300, 301, 303, 304, 305, 299, 300, 301, 303,
       304, 305,
 &end
#
#   19 LEU  HA           20 GLY  HN          2.80    (#    735:10  Unique         2.13, 2.24 A)
 &rst
  ixpk= 735, nxpk= 10, iat= 292, 309, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   20 GLY  HA+          20 GLY  HN          3.50    (#    736:10  Unique         2.30, 2.64 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 311, 312,
 &end
#
#   21 TYR  HN           20 GLY  HN          4.50    (#    738:10  Unique         2.71, 3.43 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 316, 309, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:739     20 GLY  HN          5.50    (#    739:10  Single Ambig)
 &rst
  ixpk= 739, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 294, 295, 297,
 &end
#
#   74 TYR  HA           75 ARG  HN          2.80    (#    742:10  Unique         2.23, 2.34 A)
 &rst
  ixpk= 742, nxpk= 10, iat=1096,1115, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 TYR  HB+          75 ARG  HN          4.50    (#    743:10  Unique         2.39, 3.16 A)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1098,1099,
 &end
#
#   75 ARG  HG-          75 ARG  HN          5.50    (#    744:10  Unique         2.65, 3.40 A)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1122,1123,
 &end
#
#   14 ILE  QG2          75 ARG  HN          4.50    (#    745:10  Unique         3.02, 3.86 A)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 199, 200, 201,
 &end
#
#   74 TYR  HD           75 ARG  HN          5.50    (#    746:10  Unique         2.93, 4.39 A)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1102,1111,
 &end
#
#   75 ARG  HA           75 ARG  HN          4.50    (#    747:10  Unique         2.89, 2.94 A)
 &rst
  ixpk= 747, nxpk= 10, iat=1117,1115, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 ARG  HB-          75 ARG  HN          5.50    (#    748:10  Unique         2.80, 3.61 A)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1119,1120,
 &end
#
#   75 ARG  HG+          75 ARG  HN          5.50    (#    749:10  Unique         2.65, 3.40 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1122,1123,
 &end
#
#    0 AMB  10-2:750     75 ARG  HN          5.50    (#    750:10  Single Ambig)
 &rst
  ixpk= 750, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1048,1049,1050,1052,1053,1054, 240, 241, 242,
 &end
#
#   15 GLU  HN           75 ARG  HN          5.50    (#    751:10  Unique         2.86, 2.98 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 212,1115, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 GLU  HG+          66 GLU  HN          2.80    (#    752:10  Unique         1.78, 2.31 A)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1006,1007,
 &end
#
#    0 AMB  10-2:753     66 GLU  HN          5.50    (#    753:10  Single Ambig)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1048,1049,1050,1052,1053,1054, 515, 516, 517, 519,
       520, 521,1032,1033,1034,1036,1037,1038,
 &end
#
#   90 GLU  HG+          93 ILE  HN          7.00    (#    754:10  Unique         5.85, 6.24 A)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1370,1371,
 &end
#
#   94 SER  HA           94 SER  HN          2.80    (#    755:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 755, nxpk= 10, iat=1434,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 SER  HB+          94 SER  HN          2.80    (#    756:10  Unique         2.41, 2.91 A)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1436,1437,
 &end
#
#   93 ILE  HA           94 SER  HN          4.50    (#    757:10  Unique         3.56, 3.58 A)
 &rst
  ixpk= 757, nxpk= 10, iat=1415,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  QG2          94 SER  HN          3.50    (#    758:10  Unique         2.98, 3.88 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1419,1420,1421,
 &end
#
#   67 ASP  HN           66 GLU  HN          3.50    (#    759:10  Unique         2.91, 2.97 A)
 &rst
  ixpk= 759, nxpk= 10, iat=1014, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 LEU  HN           66 GLU  HN          4.50    (#    760:10  Unique         2.96, 3.14 A)
 &rst
  ixpk= 760, nxpk= 10, iat= 980, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 GLU  HA           66 GLU  HN          2.80    (#    761:10  Unique         2.75, 2.79 A)
 &rst
  ixpk= 761, nxpk= 10, iat=1001, 999, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   65 LEU  HA           66 GLU  HN          5.50    (#    762:10  Unique         3.57, 3.60 A)
 &rst
  ixpk= 762, nxpk= 10, iat= 982, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 GLU  HB-          66 GLU  HN          2.80    (#    764:10  Unique         2.68, 3.26 A)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1003,1004,
 &end
#
#    0 AMB  10-2:765     66 GLU  HN          3.50    (#    765:10  Single Ambig)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 984, 985, 960, 961,
 &end
#
#    0 AMB  10-2:766     66 GLU  HN          2.80    (#    766:10  Single Ambig)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 984, 985, 987,
 &end
#
#   33 VAL  MGX          66 GLU  HN          7.00    (#    767:10  Unique         5.22, 6.47 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#    0 AMB  10-2:768     66 GLU  HN          4.50    (#    768:10  Single Ambig)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 989, 990, 991, 993, 994, 995,1048,1049,1050,1052,
      1053,1054,
 &end
#
#   89 VAL  MGX          93 ILE  HN          5.50    (#    769:10  Unique         3.89, 5.51 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   92 ILE  HN           93 ILE  HN          2.80    (#    770:10  Unique         2.68, 2.78 A)
 &rst
  ixpk= 770, nxpk= 10, iat=1394,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   94 SER  HN           93 ILE  HN          2.80    (#    771:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 771, nxpk= 10, iat=1432,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   90 GLU  HA           93 ILE  HN          4.50    (#    772:10  Unique         3.59, 3.65 A)
 &rst
  ixpk= 772, nxpk= 10, iat=1365,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HA           93 ILE  HN          2.80    (#    773:10  Unique         2.84, 2.86 A)
 &rst
  ixpk= 773, nxpk= 10, iat=1415,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:774     93 ILE  HN          5.50    (#    774:10  Single Ambig)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1396, 157, 158,
 &end
#
#   93 ILE  HG1+         93 ILE  HN          2.80    (#    775:10  Unique         2.46, 3.21 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1423,1424,
 &end
#
#   93 ILE  HG1-         93 ILE  HN          2.80    (#    776:10  Unique         2.46, 3.21 A)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1423,1424,
 &end
#
#    0 AMB  10-2:777     93 ILE  HN          4.50    (#    777:10  Single Ambig)
 &rst
  ixpk= 777, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1353,1354,1355,1357,1358,1359,1419,1420,1421,1407,
      1408,1409,
 &end
#
#   93 ILE  QD1          93 ILE  HN          3.50    (#    778:10  Unique         2.23, 4.15 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1426,1427,1428,
 &end
#
#   95 SER  HN           94 SER  HN          2.80    (#    779:10  Unique         2.74, 2.80 A)
 &rst
  ixpk= 779, nxpk= 10, iat=1443,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 ILE  HA           94 SER  HN          7.00    (#    780:10  Unique         4.53, 4.71 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1396,1432, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:781     94 SER  HN          4.50    (#    781:10  Single Ambig)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1474,1475,1423,1424,
 &end
#
#    0 AMB  10-2:782     94 SER  HN          5.50    (#    782:10  Single Ambig)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1426,1427,1428, 449, 450, 451,
 &end
#
#   93 ILE  HN           94 SER  HN          2.80    (#    783:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 783, nxpk= 10, iat=1413,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 VAL  HA           94 SER  HN          3.50    (#    784:10  Unique         3.10, 3.29 A)
 &rst
  ixpk= 784, nxpk= 10, iat=1380,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HB           94 SER  HN          2.80    (#    785:10  Unique         2.56, 2.76 A)
 &rst
  ixpk= 785, nxpk= 10, iat=1417,1432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 ILE  HG1-         94 SER  HN          4.50    (#    786:10  Unique         4.60, 4.90 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1423,1424,
 &end
#
#   93 ILE  HB           93 ILE  HN          2.80    (#    788:10  Unique         2.08, 2.17 A)
 &rst
  ixpk= 788, nxpk= 10, iat=1417,1413, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 ILE  QG2          93 ILE  HN          3.50    (#    789:10  Preassigned    3.75, 4.40 A)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,1413, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1400,1401,1402,
 &end
#
#   91 VAL  HN           93 ILE  HN          7.00    (#    790:10  Unique         4.15, 4.23 A)
 &rst
  ixpk= 790, nxpk= 10, iat=1378,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:797     99 MET  HN          7.00    (#    797:10  Single Ambig)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1464,1443,
 &end
#
#  100 VAL  HN           99 MET  HN          2.80    (#    799:10  Unique         2.73, 2.76 A)
 &rst
  ixpk= 799, nxpk= 10, iat=1518,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 MET  HA           99 MET  HN          2.80    (#    800:10  Unique         2.86, 2.86 A)
 &rst
  ixpk= 800, nxpk= 10, iat=1503,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   98 GLU  HA           99 MET  HN          4.50    (#    801:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 801, nxpk= 10, iat=1488,1501, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 ALA  HA           99 MET  HN          3.50    (#    802:10  Unique         3.50, 3.53 A)
 &rst
  ixpk= 802, nxpk= 10, iat=1456,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 MET  HG-          99 MET  HN          2.80    (#    803:10  Unique         2.35, 3.00 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1508,1509,
 &end
#
#   99 MET  HG+          99 MET  HN          2.80    (#    804:10  Unique         2.35, 3.00 A)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1508,1509,
 &end
#
#   99 MET  HB-          99 MET  HN          2.80    (#    805:10  Unique         2.36, 2.98 A)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#    0 AMB  10-2:806     99 MET  HN          2.80    (#    806:10  Single Ambig)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1490,1491,1490,1491,
 &end
#
#    0 AMB  10-2:807     99 MET  HN          7.00    (#    807:10  Single Ambig)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1468,1469,1468,1469,
 &end
#
#    0 AMB  10-2:808     99 MET  HN          7.00    (#    808:10  Single Ambig)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1458,1459,1460,1852,
 &end
#
#  100 VAL  MGX          99 MET  HN          5.50    (#    809:10  Unique         4.34, 6.44 A)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#    0 AMB  10-2:810     99 MET  HN          4.50    (#    810:10  Single Ambig)
 &rst
  ixpk= 810, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 885, 886, 887, 889, 890, 891, 538, 539, 540,
 &end
#
#   89 VAL  MGY          11 GLY  HN          4.50    (#    812:10  Unique         3.63, 5.39 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1353,1354,1355,1357,1358,1359,
 &end
#
#   26 LEU  HG           11 GLY  HN          7.00    (#    813:10  Unique         5.58, 5.97 A)
 &rst
  ixpk= 813, nxpk= 10, iat= 410, 155, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   12 ASP  HN           11 GLY  HN          3.50    (#    814:10  Unique         2.53, 2.71 A)
 &rst
  ixpk= 814, nxpk= 10, iat= 162, 155, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HD           11 GLY  HN          5.50    (#    815:10  Unique         3.49, 5.38 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 430, 439,
 &end
#
#   11 GLY  HA+          11 GLY  HN          3.50    (#    816:10  Unique         2.32, 2.66 A)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 157, 158,
 &end
#
#   10 PRO  HA           11 GLY  HN          2.80    (#    817:10  Unique         2.13, 2.16 A)
 &rst
  ixpk= 817, nxpk= 10, iat= 151, 155, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 GLY  HA-          11 GLY  HN          2.80    (#    818:10  Unique         2.32, 2.66 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 157, 158,
 &end
#
#    0 AMB  10-2:819     11 GLY  HN          5.50    (#    819:10  Single Ambig)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 148, 149,1398,
 &end
#
#   10 PRO  HB-          11 GLY  HN          7.00    (#    820:10  Unique         3.51, 3.87 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 148, 149,
 &end
#
#   93 ILE  QD1          11 GLY  HN          3.50    (#    821:10  Unique         2.29, 3.61 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1426,1427,1428,
 &end
#
#   28 ILE  HA           11 GLY  HN          4.50    (#    822:10  Preassigned    2.93, 3.13 A)
 &rst
  ixpk= 822, nxpk= 10, iat= 445, 155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HG1-         11 GLY  HN          5.50    (#    823:10  Unique         3.48, 3.91 A)
 &rst
  ixpk= 823, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1423,1424,
 &end
#
#   26 LEU  MDX          11 GLY  HN          4.50    (#    824:10  Unique         2.89, 4.67 A)
 &rst
  ixpk= 824, nxpk= 10, iat=  -1, 155, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 412, 413, 414, 416, 417, 418,
 &end
#
#   85 GLN  HA           85 GLN  HE2-        3.50    (#    826:10  Unique         2.94, 3.79 A)
 &rst
  ixpk= 826, nxpk= 10, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1290,1291,
 &end
#
#   85 GLN  HG+          85 GLN  HE2-        4.50    (#    828:10  Unique         2.24, 3.25 A)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1285,1286,
 igr2=1290,1291,
 &end
#
#   85 GLN  HA           85 GLN  HE2+        3.50    (#    830:10  Unique         2.94, 3.79 A)
 &rst
  ixpk= 830, nxpk= 10, iat=1280,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1290,1291,
 &end
#
#   85 GLN  HB+          85 GLN  HE2+        7.00    (#    831:10  Unique         2.61, 4.76 A)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1282,1283,
 igr2=1290,1291,
 &end
#
#  102 GLN  HG-         102 GLN  HE2+        4.50    (#    834:10  Unique         2.26, 3.25 A)
 &rst
  ixpk= 834, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   42 TYR  HA           56 ASN  HD2-        3.50    (#    835:10  Unique         2.23, 3.86 A)
 &rst
  ixpk= 835, nxpk= 10, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 838, 839,
 &end
#
#   43 PRO  HB-          56 ASN  HD2-        4.50    (#    836:10  Unique         3.31, 5.63 A)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 672, 673,
 igr2= 838, 839,
 &end
#
#  102 GLN  HG-         102 GLN  HE2-        5.50    (#    837:10  Unique         2.26, 3.25 A)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   42 TYR  HA           56 ASN  HD2+        3.50    (#    841:10  Unique         2.23, 3.86 A)
 &rst
  ixpk= 841, nxpk= 10, iat= 646,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 838, 839,
 &end
#
#    0 AMB  10-2:843      0 AMB  10-1:843    4.50    (#    843:10  Double Ambig)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1490,1491,1490,1491, 636, 637,
 igr2=1553,1554, 838, 839,
 &end
#
#    0 AMB  10-2:844      0 AMB  10-1:844    4.50    (#    844:10  Double Ambig)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1545,1546,1512,1513,1514,
 igr2=1553,1554,1553,1554,
 &end
#
#   99 MET  HA          102 GLN  HE2+        3.50    (#    845:10  Unique         2.30, 2.69 A)
 &rst
  ixpk= 845, nxpk= 10, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1553,1554,
 &end
#
#  102 GLN  HG+         102 GLN  HE2+        4.50    (#    846:10  Unique         2.26, 3.25 A)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   99 MET  HA          102 GLN  HE2-        3.50    (#    850:10  Unique         2.30, 2.69 A)
 &rst
  ixpk= 850, nxpk= 10, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1553,1554,
 &end
#
#   99 MET  HG+         102 GLN  HE2-        7.00    (#    851:10  Unique         4.03, 4.87 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1508,1509,
 igr2=1553,1554,
 &end
#
#  102 GLN  HG+         102 GLN  HE2-        4.50    (#    854:10  Unique         2.26, 3.25 A)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1548,1549,
 igr2=1553,1554,
 &end
#
#   77 ASN  HB-          77 ASN  HD2+        5.50    (#    856:10  Unique         2.41, 3.14 A)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#   77 ASN  HB-          77 ASN  HD2-        5.50    (#    860:10  Unique         2.41, 3.14 A)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#   77 ASN  HB+          77 ASN  HD2-        4.50    (#    861:10  Unique         2.41, 3.14 A)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#   77 ASN  HB+          77 ASN  HD2+        5.50    (#    864:10  Unique         2.41, 3.14 A)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1159,1160,
 igr2=1164,1165,
 &end
#
#  122 TYR  HA          122 TYR  HN          4.50    (#    865:10  Unique         2.84, 2.87 A)
 &rst
  ixpk= 865, nxpk= 10, iat=1890,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 TYR  HB+         122 TYR  HN          4.50    (#    866:10  Unique         2.33, 2.50 A)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1892,1893,
 &end
#
#  121 ARG  HB-         122 TYR  HN          4.50    (#    867:10  Unique         2.36, 3.25 A)
 &rst
  ixpk= 867, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1868,1869,
 &end
#
#   92 ILE  QD1         122 TYR  HN          7.00    (#    868:10  Unique         6.06, 7.37 A)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1407,1408,1409,
 &end
#
#  120 LEU  HN          122 TYR  HN          7.00    (#    869:10  Unique         3.96, 4.35 A)
 &rst
  ixpk= 869, nxpk= 10, iat=1845,1888, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:870    122 TYR  HN          5.50    (#    870:10  Single Ambig)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1816,1911,1912,
 &end
#
#  122 TYR  HB-         122 TYR  HN          4.50    (#    871:10  Unique         2.33, 2.50 A)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1892,1893,
 &end
#
#  121 ARG  HB+         122 TYR  HN          5.50    (#    872:10  Unique         2.36, 3.25 A)
 &rst
  ixpk= 872, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1868,1869,
 &end
#
#  123 GLY  HA+         122 TYR  HN          7.00    (#    873:10  Unique         4.65, 5.28 A)
 &rst
  ixpk= 873, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1911,1912,
 &end
#
#    0 AMB  10-2:874    122 TYR  HN          4.50    (#    874:10  Single Ambig)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1888, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1830,1866,
 &end
#
#  121 ARG  HN          122 TYR  HN          4.50    (#    875:10  Unique         2.35, 2.44 A)
 &rst
  ixpk= 875, nxpk= 10, iat=1864,1888, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 PHE  HD          112 ASN  HD2+        7.00    (#    877:10  Unique         5.17, 7.68 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1786,1794,
 igr2=1730,1731,
 &end
#
#    0 AMB  10-2:884    112 ASN  HD2-        7.00    (#    884:10  Single Ambig)
 &rst
  ixpk= 884, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1780,1599,
 igr2=1730,1731,
 &end
#
#  119 GLN  HG-         119 GLN  HE2+        7.00    (#    887:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#  119 GLN  HG+         119 GLN  HE2+        5.50    (#    888:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#   12 ASP  HA           78 ASN  HD2+        2.80    (#    890:10  Unique         2.51, 3.43 A)
 &rst
  ixpk= 890, nxpk= 10, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1178,1179,
 &end
#
#   78 ASN  HB-          78 ASN  HD2+        3.50    (#    891:10  Unique         2.26, 3.15 A)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1173,1174,
 igr2=1178,1179,
 &end
#
#    0 AMB  10-2:892      0 AMB  10-1:892    2.80    (#    892:10  Double Ambig)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1173,1174, 166, 167,
 igr2=1178,1179,1178,1179,
 &end
#
#   76 VAL  MGY          78 ASN  HD2+        3.50    (#    893:10  Unique         3.15, 5.62 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1145,1146,1147,1149,1150,1151,
 igr2=1178,1179,
 &end
#
#    0 AMB  10-2:894     33 VAL  HN          7.00    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 9.68, r4=10.43,
 igr1= 535, 536, 963, 964, 397, 398, 399,
 &end
#
#    0 AMB  10-2:895     33 VAL  HN          7.00    (#    895:10  Single Ambig)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 924, 925, 921, 922,
 &end
#
#    0 AMB  10-2:896     33 VAL  HN          7.00    (#    896:10  Single Ambig)
 &rst
  ixpk= 896, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 453, 454, 924, 925,
 &end
#
#   65 LEU  HN           33 VAL  HN          5.50    (#    897:10  Unique         3.45, 3.53 A)
 &rst
  ixpk= 897, nxpk= 10, iat= 980, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  HN           78 ASN  HD2+        5.50    (#    898:10  Unique         3.34, 4.23 A)
 &rst
  ixpk= 898, nxpk= 10, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1178,1179,
 &end
#
#   32 TYR  HN           33 VAL  HN          7.00    (#    899:10  Unique         4.53, 4.60 A)
 &rst
  ixpk= 899, nxpk= 10, iat= 488, 509, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   32 TYR  HD           33 VAL  HN          4.50    (#    900:10  Unique         3.24, 4.52 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 496, 505,
 &end
#
#   33 VAL  HA           33 VAL  HN          5.50    (#    901:10  Unique         2.99, 3.00 A)
 &rst
  ixpk= 901, nxpk= 10, iat= 511, 509, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 TYR  HA           33 VAL  HN          2.80    (#    902:10  Unique         2.15, 2.20 A)
 &rst
  ixpk= 902, nxpk= 10, iat= 490, 509, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 ARG  HA           33 VAL  HN          4.50    (#    903:10  Unique         3.18, 3.42 A)
 &rst
  ixpk= 903, nxpk= 10, iat= 958, 509, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HB-          33 VAL  HN          4.50    (#    904:10  Unique         2.65, 3.37 A)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 493,
 &end
#
#   32 TYR  HB+          33 VAL  HN          3.50    (#    905:10  Unique         2.65, 3.37 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 492, 493,
 &end
#
#   33 VAL  MGX          33 VAL  HN          3.50    (#    906:10  Unique         2.39, 3.59 A)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   28 ILE  QD1          33 VAL  HN          4.50    (#    907:10  Unique         4.64, 5.48 A)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 456, 457, 458,
 &end
#
#   33 VAL  MGY          33 VAL  HN          2.80    (#    908:10  Unique         2.39, 3.59 A)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1, 509, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   63 GLU  HN           33 VAL  HN          3.50    (#    909:10  Unique         2.80, 2.90 A)
 &rst
  ixpk= 909, nxpk= 10, iat= 941, 509, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  HB           33 VAL  HN          7.00    (#    910:10  Unique         3.76, 3.80 A)
 &rst
  ixpk= 910, nxpk= 10, iat= 513, 509, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:911    123 GLY  HN          4.50    (#    911:10  Single Ambig)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1916,1896,1905,
 &end
#
#  123 GLY  HA-         123 GLY  HN          2.80    (#    912:10  Unique         2.29, 2.67 A)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1911,1912,
 &end
#
#  123 GLY  HA+         123 GLY  HN          2.80    (#    914:10  Unique         2.29, 2.67 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1911,1912,
 &end
#
#  122 TYR  HB-         123 GLY  HN          4.50    (#    915:10  Preassigned    2.48, 3.40 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1892,1893,
 &end
#
#  122 TYR  HB+         123 GLY  HN          7.00    (#    916:10  Unique         2.48, 3.40 A)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1892,1893,
 &end
#
#  121 ARG  HD+         121 ARG  HE          5.50    (#    917:10  Unique         2.30, 2.78 A)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1,1877, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1874,1875,
 &end
#
#    0 AMB  10-2:918    121 ARG  HE          5.50    (#    918:10  Single Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,1877, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1874,1875,1217,1218,
 &end
#
#  117 VAL  MGY         117 VAL  HN          2.80    (#    919:10  Unique         2.22, 3.26 A)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  117 VAL  MGX         117 VAL  HN          3.50    (#    920:10  Unique         2.22, 3.26 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  118 THR  HN          117 VAL  HN          5.50    (#    921:10  Unique         2.45, 2.75 A)
 &rst
  ixpk= 921, nxpk= 10, iat=1814,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 VAL  HA           70 GLY  HN          7.00    (#    922:10  Unique         3.81, 4.45 A)
 &rst
  ixpk= 922, nxpk= 10, iat=1028,1058, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   70 GLY  HA-          70 GLY  HN          2.80    (#    923:10  Unique         2.29, 2.56 A)
 &rst
  ixpk= 923, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1060,1061,
 &end
#
#   70 GLY  HA+          70 GLY  HN          2.80    (#    924:10  Unique         2.29, 2.56 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1060,1061,
 &end
#
#   69 VAL  HB           70 GLY  HN          4.50    (#    925:10  Unique         3.80, 4.08 A)
 &rst
  ixpk= 925, nxpk= 10, iat=1046,1058, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 VAL  MGY          70 GLY  HN          4.50    (#    926:10  Unique         2.48, 4.32 A)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   69 VAL  HN           70 GLY  HN          2.80    (#    927:10  Unique         2.62, 2.68 A)
 &rst
  ixpk= 927, nxpk= 10, iat=1042,1058, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASP  HA           70 GLY  HN          5.50    (#    928:10  Unique         3.50, 3.74 A)
 &rst
  ixpk= 928, nxpk= 10, iat=1016,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 VAL  HA           70 GLY  HN          5.50    (#    929:10  Unique         3.34, 3.50 A)
 &rst
  ixpk= 929, nxpk= 10, iat=1044,1058, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 VAL  MGX          70 GLY  HN          4.50    (#    930:10  Unique         2.48, 4.32 A)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1058, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1048,1049,1050,1052,1053,1054,
 &end
#
#   12 ASP  HB-          27 TYR  HN          7.00    (#    931:10  Unique         3.81, 4.38 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 166, 167,
 &end
#
#   22 GLU  HB-          24 TRP  HE1         5.50    (#    932:10  Unique         4.93, 5.88 A)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 341, 342,
 &end
#
#   13 LEU  MDX          25 ALA  HN          7.00    (#    933:10  Unique         4.72, 6.79 A)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1, 393, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#   60 VAL  HN          101 GLY  HN          7.00    (#    934:10  Unique         3.71, 3.84 A)
 &rst
  ixpk= 934, nxpk= 10, iat= 879,1534, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  100 VAL  HN          101 GLY  HN          7.00    (#    935:10  Unique         4.56, 4.58 A)
 &rst
  ixpk= 935, nxpk= 10, iat=1518,1534, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:936     66 GLU  HN          5.50    (#    936:10  Single Ambig)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 958, 483, 484,
 &end
#
#   69 VAL  HA           17 PHE  HN          7.00    (#    937:10  Unique         5.99, 6.43 A)
 &rst
  ixpk= 937, nxpk= 10, iat=1044, 246, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   32 TYR  HA           63 GLU  HN          5.50    (#    938:10  Preassigned    4.34, 4.51 A)
 &rst
  ixpk= 938, nxpk= 10, iat= 490, 941, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 ARG  HG-          65 LEU  HN          4.50    (#    939:10  Unique         3.93, 4.62 A)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 963, 964,
 &end
#
#    0 AMB  10-2:941     87 ARG  HN          5.50    (#    941:10  Single Ambig)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1334,1335,1296,1297,1866,
 &end
#
#  102 GLN  HB-         103 LYS  HN          2.80    (#    942:10  Unique         2.39, 3.21 A)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1545,1546,
 &end
#
#  102 GLN  HG-         103 LYS  HN          5.50    (#    943:10  Unique         4.08, 4.56 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,1558, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1548,1549,
 &end
#
#  105 LYS  HG-         105 LYS  HN          5.50    (#    944:10  Unique         2.09, 2.93 A)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1604,1605,
 &end
#
#  115 HIS  HA          118 THR  HN          7.00    (#    946:10  Unique         3.35, 3.60 A)
 &rst
  ixpk= 946, nxpk= 10, iat=1763,1814, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   91 VAL  MGX          90 GLU  HN          5.50    (#    947:10  Unique         4.27, 6.43 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1,1363, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1384,1385,1386,1388,1389,1390,
 &end
#
#   62 ARG  HA           33 VAL  HN          7.00    (#    949:10  Unique         4.38, 4.53 A)
 &rst
  ixpk= 949, nxpk= 10, iat= 919, 509, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   66 GLU  HA           67 ASP  HN          4.50    (#    950:10  Unique         3.54, 3.59 A)
 &rst
  ixpk= 950, nxpk= 10, iat=1001,1014, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 ALA  MB           37 ALA  HN          7.00    (#    952:10  Unique         3.38, 4.83 A)
 &rst
  ixpk= 952, nxpk= 10, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 858, 859, 860,
 &end
#
#   14 ILE  HG1+         15 GLU  HN          7.00    (#    953:10  Unique         4.16, 4.83 A)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 203, 204,
 &end
#
#   14 ILE  HN           15 GLU  HN          7.00    (#    954:10  Unique         4.37, 4.41 A)
 &rst
  ixpk= 954, nxpk= 10, iat= 193, 212, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   36 LEU  MDX          61 LYS  HN          5.50    (#    955:10  Unique         3.94, 6.62 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 570, 571, 572, 574, 575, 576,
 &end
#
#   61 LYS  HG+          61 LYS  HN          3.50    (#    956:10  Unique         3.00, 3.73 A)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 902, 903,
 &end
#
#  100 VAL  MGX          61 LYS  HN          7.00    (#    957:10  Unique         3.61, 5.33 A)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   76 VAL  MGY          15 GLU  HN          7.00    (#    958:10  Unique         5.04, 6.32 A)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   77 ASN  HB+          15 GLU  HN          7.00    (#    959:10  Unique         3.92, 4.43 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1159,1160,
 &end
#
#   14 ILE  HG1+         27 TYR  HN          4.50    (#    964:10  Unique         3.13, 4.30 A)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 203, 204,
 &end
#
#   17 PHE  HE           17 PHE  HN          7.00    (#    965:10  Unique         4.36, 5.28 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 256, 260,
 &end
#
#   92 ILE  HB           89 VAL  HN          7.00    (#    967:10  Preassigned    5.37, 5.53 A)
 &rst
  ixpk= 967, nxpk= 10, iat=1398,1347, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:968      0 AMB  10-1:968    2.80    (#    968:10  Double Ambig)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 885, 886, 887, 889, 890, 891, 237, 238,
 igr2= 879, 227,
 &end
#
#   34 ILE  QG2          63 GLU  HN          7.00    (#    970:10  Unique         6.05, 6.89 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 531, 532, 533,
 &end
#
#   64 ARG  HG+          64 ARG  HN          2.80    (#    971:10  Unique         2.31, 3.09 A)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 963, 964,
 &end
#
#   64 ARG  HB-          64 ARG  HN          2.80    (#    972:10  Unique         2.31, 3.01 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   25 ALA  HA           14 ILE  HN          5.50    (#    973:10  Preassigned    4.70, 4.75 A)
 &rst
  ixpk= 973, nxpk= 10, iat= 395, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  MDX          13 LEU  HN          3.50    (#    974:10  Preassigned    2.35, 4.45 A)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 183, 184, 185, 187, 188, 189,
 &end
#
#    0 AMB  10-2:975      0 AMB  10-1:975    3.50    (#    975:10  Double Ambig)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 183, 184, 185, 187, 188, 189, 407, 408,
 igr2= 174, 525,
 &end
#
#   78 ASN  HD2+         13 LEU  HN          5.50    (#    976:10  Unique         3.34, 4.23 A)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1178,1179,
 &end
#
#   34 ILE  HG1+         34 ILE  HN          5.50    (#    977:10  Unique         2.99, 3.66 A)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1, 525, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 535, 536,
 &end
#
#   26 LEU  HA            0 AMB  10-1:978    7.00    (#    978:10  Single Ambig)
 &rst
  ixpk= 978, nxpk= 10, iat= 405,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2= 525, 174,
 &end
#
#    0 AMB  10-2:980     66 GLU  HN          5.50    (#    980:10  Single Ambig)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1026,1058,
 &end
#
#   64 ARG  HG-          66 GLU  HN          5.50    (#    981:10  Unique         4.78, 5.69 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 963, 964,
 &end
#
#   34 ILE  HA           34 ILE  HN          4.50    (#    983:10  Unique         2.99, 3.00 A)
 &rst
  ixpk= 983, nxpk= 10, iat= 527, 525, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:984      0 AMB  10-1:984    3.50    (#    984:10  Double Ambig)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 403,1155,
 igr2= 525, 174,
 &end
#
#   80 LEU  HA           81 ASP  HN          3.50    (#    986:10  Unique         3.31, 3.41 A)
 &rst
  ixpk= 986, nxpk= 10, iat=1196,1213, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 ILE  QG2          17 PHE  HN          7.00    (#    987:10  Unique         6.10, 6.98 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1= 199, 200, 201,
 &end
#
#   74 TYR  HB+          17 PHE  HN          7.00    (#    988:10  Unique         3.74, 4.28 A)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1098,1099,
 &end
#
#   58 ALA  HA           37 ALA  HN          7.00    (#    989:10  Unique         4.44, 4.68 A)
 &rst
  ixpk= 989, nxpk= 10, iat= 856, 580, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:991     18 ARG  HN          7.00    (#    991:10  Single Ambig)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1, 266, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 356, 357, 320, 321,
 &end
#
#   34 ILE  QG2         100 VAL  HN          5.50    (#    995:10  Unique         3.55, 4.39 A)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 531, 532, 533,
 &end
#
#   80 LEU  HB+          83 GLU  HN          7.00    (#    996:10  Unique         4.16, 4.63 A)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1242, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1198,1199,
 &end
#
#   64 ARG  HN           67 ASP  HN          5.50    (#    997:10  Unique         4.24, 4.57 A)
 &rst
  ixpk= 997, nxpk= 10, iat= 956,1014, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 TYR  HN          124 LYS  HN          5.50    (#    998:10  Unique         4.32, 4.49 A)
 &rst
  ixpk= 998, nxpk= 10, iat=1888,1916, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  HB           98 GLU  HN          5.50    (#    999:10  Unique         5.16, 5.34 A)
 &rst
  ixpk= 999, nxpk= 10, iat=1522,1486, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 SER  HA           98 GLU  HN          4.50    (#   1000:10  Unique         3.37, 3.48 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=1445,1486, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 VAL  HA          117 VAL  HN          5.50    (#   1001:10  Unique         2.87, 2.90 A)
 &rst
  ixpk= 1001, nxpk= 10, iat=1800,1798, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 GLN  HG+         119 GLN  HE2-        5.50    (#   1002:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#  119 GLN  HG-         119 GLN  HE2-        5.50    (#   1003:10  Unique         2.27, 3.29 A)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1835,1836,
 igr2=1840,1841,
 &end
#
#  119 GLN  HB-         119 GLN  HE2-        7.00    (#   1006:10  Unique         2.38, 4.23 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1832,1833,
 igr2=1840,1841,
 &end
#
#   12 ASP  HA           13 LEU  HN          2.80    (#   1007:10  Unique         2.07, 2.15 A)
 &rst
  ixpk= 1007, nxpk= 10, iat= 164, 174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   20 GLY  HA-          20 GLY  HN          2.80    (#   1008:10  Unique         2.30, 2.64 A)
 &rst
  ixpk= 1008, nxpk= 10, iat=  -1, 309, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 311, 312,
 &end
#
#   23 HIS  HA           24 TRP  HN          4.50    (#   1009:10  Unique         2.19, 2.42 A)
 &rst
  ixpk= 1009, nxpk= 10, iat= 354, 369, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 TRP  HB-          24 TRP  HN          7.00    (#   1010:10  Unique         2.40, 3.25 A)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 373, 374,
 &end
#
#   28 ILE  HG1+         28 ILE  HN          3.50    (#   1011:10  Unique         2.15, 2.71 A)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1, 443, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 453, 454,
 &end
#
#   27 TYR  HD           32 TYR  HN          5.50    (#   1012:10  Unique         4.76, 5.96 A)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1, 488, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 430, 439,
 &end
#
#   16 ILE  QD1          14 ILE  HN          5.50    (#   1013:10  Unique         5.75, 6.83 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 240, 241, 242,
 &end
#
#   35 HIS  HB-          36 LEU  HN          5.50    (#   1014:10  Unique         2.31, 3.28 A)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1, 561, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 548, 549,
 &end
#
#   15 GLU  HG+          24 TRP  HE1         7.00    (#   1016:10  Unique         2.09, 3.36 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 219, 220,
 &end
#
#  122 TYR  HN          123 GLY  HN          2.80    (#   1019:10  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=1888,1909, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   45 ALA  MB           45 ALA  HN          3.50    (#   1020:10  Unique         2.43, 3.10 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 690, 691, 692,
 &end
#
#   53 VAL  HA           54 LEU  HN          4.50    (#   1022:10  Unique         2.13, 2.57 A)
 &rst
  ixpk= 1022, nxpk= 10, iat= 785, 799, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 SER  HA           45 ALA  HN          7.00    (#   1023:10  Unique         4.10, 5.88 A)
 &rst
  ixpk= 1023, nxpk= 10, iat= 727, 686, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:1025    50 VAL  HN          5.50    (#   1025:10  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 10, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 742, 743, 744, 746, 747, 748, 742, 743, 744, 746,
       747, 748,
 &end
#
#   50 VAL  HB           50 VAL  HN          7.00    (#   1026:10  Unique         2.27, 3.22 A)
 &rst
  ixpk= 1026, nxpk= 10, iat= 740, 736, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   44 GLY  HA+          50 VAL  HN          7.00    (#   1027:10  Unique         2.80, 6.38 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=  -1, 736, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 681, 682,
 &end
#
#   31 GLY  HN           32 TYR  HN          2.80    (#   1030:10  Unique         2.43, 2.60 A)
 &rst
  ixpk= 1030, nxpk= 10, iat= 481, 488, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 VAL  MGY          53 VAL  HN          7.00    (#   1034:10  Unique         2.00, 3.75 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=  -1, 783, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 789, 790, 791, 793, 794, 795,
 &end
#
#   26 LEU  HB+          96 ALA  HN          5.50    (#   1035:10  Unique         5.95, 6.29 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 407, 408,
 &end
#
#    0 AMB  10-2:1036    54 LEU  HN          3.50    (#   1036:10  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 803, 804, 806,
 &end
#
#   53 VAL  HN           54 LEU  HN          7.00    (#   1037:10  Unique         2.21, 3.98 A)
 &rst
  ixpk= 1037, nxpk= 10, iat= 783, 799, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   60 VAL  MGX          60 VAL  HN          4.50    (#   1038:10  Unique         2.30, 3.95 A)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#  101 GLY  HA-          61 LYS  HN          7.00    (#   1039:10  Unique         6.60, 7.28 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1536,1537,
 &end
#
#   62 ARG  HN           61 LYS  HN          7.00    (#   1040:10  Unique         4.48, 4.49 A)
 &rst
  ixpk= 1040, nxpk= 10, iat= 917, 895, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   62 ARG  HN           63 GLU  HN          7.00    (#   1041:10  Unique         4.37, 4.49 A)
 &rst
  ixpk= 1041, nxpk= 10, iat= 917, 941, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   35 HIS  HN           63 GLU  HN          7.00    (#   1042:10  Unique         4.95, 5.09 A)
 &rst
  ixpk= 1042, nxpk= 10, iat= 544, 941, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   67 ASP  HB+          64 ARG  HN          7.00    (#   1043:10  Unique         3.00, 3.79 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1018,1019,
 &end
#
#   67 ASP  HN           64 ARG  HN          5.50    (#   1044:10  Unique         4.24, 4.57 A)
 &rst
  ixpk= 1044, nxpk= 10, iat=1014, 956, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   63 GLU  HN           64 ARG  HN          7.00    (#   1045:10  Unique         4.30, 4.38 A)
 &rst
  ixpk= 1045, nxpk= 10, iat= 941, 956, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:1046    65 LEU  HN          7.00    (#   1046:10  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1= 453, 454, 924, 925,
 &end
#
#   64 ARG  HG+          65 LEU  HN          4.50    (#   1047:10  Unique         3.93, 4.62 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 963, 964,
 &end
#
#   63 GLU  HN           65 LEU  HN          7.00    (#   1048:10  Unique         5.61, 5.66 A)
 &rst
  ixpk= 1048, nxpk= 10, iat= 941, 980, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   64 ARG  HG+          66 GLU  HN          5.50    (#   1049:10  Unique         4.78, 5.69 A)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 963, 964,
 &end
#
#   67 ASP  HB-          67 ASP  HN          2.80    (#   1050:10  Unique         2.19, 2.63 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1018,1019,
 &end
#
#   67 ASP  HB+          68 VAL  HN          3.50    (#   1051:10  Unique         2.47, 3.23 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1,1026, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1018,1019,
 &end
#
#   65 LEU  MDX          69 VAL  HN          3.50    (#   1053:10  Unique         3.37, 5.54 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 989, 990, 991, 993, 994, 995,
 &end
#
#   69 VAL  HA           72 CYS  HN          7.00    (#   1055:10  Unique         3.93, 4.28 A)
 &rst
  ixpk= 1055, nxpk= 10, iat=1044,1072, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   74 TYR  HB-          74 TYR  HN          5.50    (#   1056:10  Unique         3.29, 3.73 A)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1098,1099,
 &end
#
#   74 TYR  HB+          74 TYR  HN          5.50    (#   1057:10  Unique         3.29, 3.73 A)
 &rst
  ixpk= 1057, nxpk= 10, iat=  -1,1094, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1098,1099,
 &end
#
#   74 TYR  HB-          75 ARG  HN          4.50    (#   1058:10  Unique         2.39, 3.16 A)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1,1115, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1098,1099,
 &end
#
#    0 AMB  10-2:1059    76 VAL  HN          7.00    (#   1059:10  Single Ambig)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1= 199, 200, 201, 206, 207, 208,
 &end
#
#    8 PRO  HB+          76 VAL  HN          7.00    (#   1060:10  Unique         5.28, 6.61 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 112, 113,
 &end
#
#   75 ARG  HA           76 VAL  HN          2.80    (#   1061:10  Unique         2.25, 2.34 A)
 &rst
  ixpk= 1061, nxpk= 10, iat=1117,1139, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   76 VAL  HN           77 ASN  HN          7.00    (#   1062:10  Unique         4.51, 4.57 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=1139,1155, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   78 ASN  HN           77 ASN  HN          4.50    (#   1063:10  Unique         3.23, 3.43 A)
 &rst
  ixpk= 1063, nxpk= 10, iat=1169,1155, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  MGX          78 ASN  HN          7.00    (#   1064:10  Unique         2.66, 5.38 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1,1169, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   77 ASN  HN           78 ASN  HN          3.50    (#   1065:10  Unique         3.23, 3.43 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=1155,1169, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:1066    79 SER  HN          5.50    (#   1066:10  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1,1183, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1173,1174,1874,1875,
 &end
#
#   80 LEU  HN           79 SER  HN          4.50    (#   1067:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=1194,1183, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 LEU  HB+          80 LEU  HN          2.80    (#   1068:10  Unique         2.56, 3.15 A)
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1198,1199,
 &end
#
#   79 SER  HB-          80 LEU  HN          5.50    (#   1070:10  Unique         2.78, 3.83 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1,1194, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1187,1188,
 &end
#
#   79 SER  HA           80 LEU  HN          7.00    (#   1071:10  Unique         3.53, 3.56 A)
 &rst
  ixpk= 1071, nxpk= 10, iat=1185,1194, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   79 SER  HN           80 LEU  HN          2.80    (#   1072:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=1183,1194, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 TYR  HA           84 TYR  HN          3.50    (#   1074:10  Unique         2.98, 3.00 A)
 &rst
  ixpk= 1074, nxpk= 10, iat=1259,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 GLN  HG+          85 GLN  HE2+        5.50    (#   1077:10  Unique         2.24, 3.25 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1285,1286,
 igr2=1290,1291,
 &end
#
#   95 SER  HN           92 ILE  HN          5.50    (#   1081:10  Unique         4.62, 4.68 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1443,1394, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 VAL  HA           93 ILE  HN          7.00    (#   1082:10  Unique         4.45, 4.56 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1380,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   96 ALA  HN           93 ILE  HN          7.00    (#   1083:10  Unique         4.61, 4.68 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=1454,1413, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   96 ALA  HN           94 SER  HN          4.50    (#   1084:10  Unique         4.19, 4.26 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=1454,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HG1-         97 LYS  HN          7.00    (#   1085:10  Unique         5.76, 6.35 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1423,1424,
 &end
#
#   96 ALA  HA           97 LYS  HN          4.50    (#   1086:10  Unique         3.60, 3.61 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=1456,1464, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:1087    97 LYS  HN          7.00    (#   1087:10  Single Ambig)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 8.82, r4= 9.57,
 igr1=1447,1448,1436,1437,
 &end
#
#   96 ALA  HN           97 LYS  HN          2.80    (#   1088:10  Unique         2.81, 2.84 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=1454,1464, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 MET  HA           98 GLU  HN          7.00    (#   1089:10  Unique         5.19, 5.35 A)
 &rst
  ixpk= 1089, nxpk= 10, iat=1503,1486, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   99 MET  HN           98 GLU  HN          2.80    (#   1091:10  Unique         2.53, 2.73 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=1501,1486, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LEU  MDY          99 MET  HN          7.00    (#   1092:10  Unique         4.41, 5.83 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1854,1855,1856,1858,1859,1860,
 &end
#
#  100 VAL  MGY          99 MET  HN          7.00    (#   1093:10  Unique         4.34, 6.44 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1524,1525,1526,1528,1529,1530,
 &end
#
#   98 GLU  HN           99 MET  HN          2.80    (#   1094:10  Unique         2.53, 2.73 A)
 &rst
  ixpk= 1094, nxpk= 10, iat=1486,1501, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLN  HG+         102 GLN  HN          2.80    (#   1095:10  Unique         2.43, 3.01 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1548,1549,
 &end
#
#   37 ALA  MB           59 GLU  HN          3.50    (#   1096:10  Unique         2.42, 3.83 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 584, 585, 586,
 &end
#
#  103 LYS  HN          102 GLN  HN          4.50    (#   1097:10  Unique         4.55, 4.57 A)
 &rst
  ixpk= 1097, nxpk= 10, iat=1558,1541, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HN          103 LYS  HN          5.50    (#   1098:10  Unique         4.55, 4.57 A)
 &rst
  ixpk= 1098, nxpk= 10, iat=1541,1558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  104 MET  HN          103 LYS  HN          5.50    (#   1099:10  Unique         4.47, 4.55 A)
 &rst
  ixpk= 1099, nxpk= 10, iat=1580,1558, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   87 ARG  HD-          87 ARG  HN          4.50    (#   1101:10  Unique         2.39, 4.28 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1319,1320,
 &end
#
#  118 THR  HA          119 GLN  HN          5.50    (#   1105:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=1816,1828, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 THR  HB          119 GLN  HN          3.50    (#   1106:10  Unique         2.48, 3.21 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=1818,1828, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 GLU  HB-         114 GLU  HN          5.50    (#   1108:10  Unique         2.38, 2.84 A)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,1746, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1750,1751,
 &end
#
#  114 GLU  HA          114 GLU  HN          7.00    (#   1109:10  Unique         2.84, 2.89 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=1748,1746, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  117 VAL  MGY         116 PHE  HN          7.00    (#   1110:10  Unique         4.16, 5.80 A)
 &rst
  ixpk= 1110, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 9.44, r4=10.19,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#  115 HIS  HB+         116 PHE  HN          4.50    (#   1111:10  Unique         2.59, 3.35 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1,1778, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1765,1766,
 &end
#
#  116 PHE  HB+         117 VAL  HN          7.00    (#   1112:10  Unique         2.55, 3.34 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1,1798, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1782,1783,
 &end
#
#  116 PHE  HN          117 VAL  HN          7.00    (#   1113:10  Unique         2.48, 2.93 A)
 &rst
  ixpk= 1113, nxpk= 10, iat=1778,1798, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  123 GLY  HA-         120 LEU  HN          7.00    (#   1115:10  Unique         5.88, 6.77 A)
 &rst
  ixpk= 1115, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1911,1912,
 &end
#
#    0 AMB  10-2:1116   120 LEU  HN          7.00    (#   1116:10  Single Ambig)
 &rst
  ixpk= 1116, nxpk= 10, iat=  -1,1845, r1= 0.00, r2= 1.80, r3= 8.41, r4= 9.16,
 igr1=1798,1788,1792,
 &end
#
#   97 LYS  HD+          97 LYS  HN          3.50    (#   1121:10  Unique         3.70, 4.16 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1,1464, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1474,1475,
 &end
#
#    0 AMB  10-2:1126   100 VAL  HN          7.00    (#   1126:10  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1541,1454,
 &end
#
#   82 HIS  HA           85 GLN  HE2-        7.00    (#   1128:10  Unique         6.48, 7.61 A)
 &rst
  ixpk= 1128, nxpk= 10, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr2=1290,1291,
 &end
#
#   76 VAL  HA            6 GLN  HE2+        5.50    (#   1129:10  Unique         5.11, 6.27 A)
 &rst
  ixpk= 1129, nxpk= 10, iat=1141,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  85,  86,
 &end
#
#    0 AMB  10-2:1131   102 GLN  HE2-        5.50    (#   1131:10  Single Ambig)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.07, r4= 8.82,
 igr1=1545,1546,1512,1513,1514,
 igr2=1553,1554,
 &end
#
#   39 PRO  HA           40 SER  HN          5.50    (#   1134:10  Unique         2.17, 2.60 A)
 &rst
  ixpk= 1134, nxpk= 10, iat= 614, 618, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 GLU  HA           70 GLY  HN          4.50    (#   1137:10  Unique         3.84, 4.18 A)
 &rst
  ixpk= 1137, nxpk= 10, iat=1001,1058, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 LEU  MDX          66 GLU  HN          5.50    (#   1139:10  Unique         3.07, 5.03 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 989, 990, 991, 993, 994, 995,
 &end
#
#   33 VAL  MGY          65 LEU  HN          4.50    (#   1140:10  Preassigned    2.64, 4.28 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 515, 516, 517, 519, 520, 521,
 &end
#
#   64 ARG  HB-          67 ASP  HN          2.80    (#   1141:10  Unique         2.32, 2.92 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1,1014, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 960, 961,
 &end
#
#   87 ARG  HG+          87 ARG  HN          3.50    (#   1143:10  Unique         2.47, 3.59 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1316,1317,
 &end
#
#  105 LYS  HB+         105 LYS  HN          2.80    (#   1144:10  Unique         2.35, 3.04 A)
 &rst
  ixpk= 1144, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1601,1602,
 &end
#
#   62 ARG  HB-         100 VAL  HN          7.00    (#   1145:10  Unique         5.92, 6.79 A)
 &rst
  ixpk= 1145, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 921, 922,
 &end
#
#   53 VAL  HA           53 VAL  HN          7.00    (#   1147:10  Unique         2.79, 2.93 A)
 &rst
  ixpk= 1147, nxpk= 10, iat= 785, 783, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#   53 VAL  HB           53 VAL  HN          7.00    (#   1148:10  Unique         2.33, 3.30 A)
 &rst
  ixpk= 1148, nxpk= 10, iat= 787, 783, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#  104 MET  HG+         105 LYS  HN          7.00    (#   1149:10  Unique         4.05, 4.82 A)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1597, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1587,1588,
 &end
#
#   68 VAL  MGX          69 VAL  HN          4.50    (#   1150:10  Preassigned    3.33, 4.62 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   60 VAL  MGY          59 GLU  HN          5.50    (#   1153:10  Preassigned    5.45, 7.17 A)
 &rst
  ixpk= 1153, nxpk= 10, iat=  -1, 864, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 885, 886, 887, 889, 890, 891,
 &end
#
#    0 AMB  10-2:1154    23 HIS  HN          7.00    (#   1154:10  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 10, iat=  -1, 352, r1= 0.00, r2= 1.80, r3= 9.15, r4= 9.90,
 igr1= 270, 271, 233, 234, 235,
 &end
#
#   15 GLU  HB+          16 ILE  HN          7.00    (#   1155:10  Unique         3.04, 3.97 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1, 227, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1= 216, 217,
 &end
#
#  116 PHE  HA          119 GLN  HN          4.50    (#   1156:10  Unique         3.51, 3.92 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=1780,1828, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 LYS  HB-           9 LYS  HN          3.50    (#   1157:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1157, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 123, 124,
 &end
#
#    9 LYS  HB+           9 LYS  HN          3.50    (#   1158:10  Unique         2.39, 3.13 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1, 119, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 123, 124,
 &end
#
#   91 VAL  HA           95 SER  HN          4.50    (#   1160:10  Unique         3.66, 3.74 A)
 &rst
  ixpk= 1160, nxpk= 10, iat=1380,1443, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  MGY          13 LEU  HN          4.50    (#   1161:10  Unique         3.20, 5.28 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1145,1146,1147,1149,1150,1151,
 &end
#
#   84 TYR  HA           85 GLN  HE2+        5.50    (#   1162:10  Unique         3.26, 5.71 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1290,1291,
 &end
#
#   84 TYR  HA           85 GLN  HE2-        5.50    (#   1163:10  Unique         3.26, 5.71 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=1259,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1290,1291,
 &end
#
#   64 ARG  HN           63 GLU  HN          7.00    (#   1164:10  Unique         4.30, 4.38 A)
 &rst
  ixpk= 1164, nxpk= 10, iat= 956, 941, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end
#
#    0 AMB  10-2:1165   121 ARG  HN          5.50    (#   1165:10  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1830,1800,
 &end
#
#   44 GLY  HA+          45 ALA  HN          4.50    (#   1166:10  Unique         2.15, 3.05 A)
 &rst
  ixpk= 1166, nxpk= 10, iat=  -1, 686, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 681, 682,
 &end
#
#    0 AMB  10-2:1167    65 LEU  HN          7.00    (#   1167:10  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3=10.59, r4=11.34,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   84 TYR  HA           85 GLN  HN          2.80    (#   1168:10  Unique         2.26, 2.42 A)
 &rst
  ixpk= 1168, nxpk= 10, iat=1259,1278, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:1171    28 ILE  HN          3.50    (#   1171:10  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1, 443, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 515, 516, 517, 519, 520, 521, 538, 539, 540,
 &end
#
#   68 VAL  MGY          69 VAL  HN          4.50    (#   1174:10  Preassigned    3.33, 4.62 A)
 &rst
  ixpk= 1174, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   11 GLY  HA-          12 ASP  HN          5.50    (#   1177:10  Unique         3.21, 3.36 A)
 &rst
  ixpk= 1177, nxpk= 10, iat=  -1, 162, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 157, 158,
 &end
#
#  120 LEU  HG          120 LEU  HN          5.50    (#   1178:10  Unique         2.05, 2.25 A)
 &rst
  ixpk= 1178, nxpk= 10, iat=1852,1845, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1179    96 ALA  HN          5.50    (#   1179:10  Single Ambig)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1,1454, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1400,1401,1402, 412, 413, 414, 416, 417, 418,
 &end
#
#   59 GLU  HG+         102 GLN  HN          5.50    (#   1180:10  Unique         4.11, 4.75 A)
 &rst
  ixpk= 1180, nxpk= 10, iat=  -1,1541, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 871, 872,
 &end
#
#   64 ARG  HB-          65 LEU  HN          3.50    (#   1181:10  Unique         3.15, 3.76 A)
 &rst
  ixpk= 1181, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 960, 961,
 &end
#
#   64 ARG  HB+          65 LEU  HN          4.50    (#   1182:10  Unique         3.15, 3.76 A)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 960, 961,
 &end
#
#   34 ILE  QD1         100 VAL  HN          4.50    (#   1183:10  Preassigned    3.72, 4.91 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 538, 539, 540,
 &end
#
#    0 AMB  10-2:1184    95 SER  HN          7.00    (#   1184:10  Single Ambig)
 &rst
  ixpk= 1184, nxpk= 10, iat=  -1,1443, r1= 0.00, r2= 1.80, r3= 7.86, r4= 8.61,
 igr1=1456,1866,
 &end
#
#   86 PRO  HG+          87 ARG  HN          5.50    (#   1185:10  Preassigned    4.50, 5.15 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=  -1,1309, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1299,1300,
 &end
#
#   26 LEU  MDY          26 LEU  HN          4.50    (#   1186:10  Preassigned    4.52, 5.22 A)
 &rst
  ixpk= 1186, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 412, 413, 414, 416, 417, 418,
 &end
#
#   26 LEU  HB+          26 LEU  HN          4.50    (#   1187:10  Unique         2.39, 2.63 A)
 &rst
  ixpk= 1187, nxpk= 10, iat=  -1, 403, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 407, 408,
 &end
#
#    0 AMB  10-2:1188    27 TYR  HN          4.50    (#   1188:10  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 515, 516, 517, 519, 520, 521, 449, 450, 451,
 &end
#
#   12 ASP  HB+          13 LEU  HN          5.50    (#   1189:10  Unique         2.56, 3.43 A)
 &rst
  ixpk= 1189, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 166, 167,
 &end
#
#   92 ILE  HG1+         91 VAL  HN          5.50    (#   1190:10  Unique         3.89, 4.76 A)
 &rst
  ixpk= 1190, nxpk= 10, iat=  -1,1378, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1404,1405,
 &end
#
#  117 VAL  MGX          14 ILE  HN          5.50    (#   1191:10  Unique         3.72, 5.55 A)
 &rst
  ixpk= 1191, nxpk= 10, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1804,1805,1806,1808,1809,1810,
 &end
#
#   68 VAL  MGY          63 GLU  HN          5.50    (#   1192:10  Preassigned    3.51, 5.83 A)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1, 941, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1032,1033,1034,1036,1037,1038,
 &end
#
#   26 LEU  MDY          27 TYR  HN          5.50    (#   1193:10  Preassigned    2.63, 4.08 A)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 412, 413, 414, 416, 417, 418,
 &end
#
#   62 ARG  HG-          62 ARG  HN          4.50    (#   1194:10  Preassigned    4.29, 4.57 A)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1, 917, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 924, 925,
 &end
#
#   89 VAL  HA           93 ILE  HN          4.50    (#   1195:10  Unique         3.86, 3.98 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=1349,1413, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 GLU  HA           97 LYS  HN          7.00    (#   1196:10  Unique         5.42, 5.44 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1488,1464, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,  &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  18.348  13.796  11.768
    2    H2   MET   1           H2       MET   1  17.380  15.100  11.902
    3    H3   MET   1           H3       MET   1  17.732  14.197  13.227
    4    HA   MET   1           HA       MET   1  16.591  12.282  12.310
    5    HB2  MET   1           HB2      MET   1  14.319  12.960  12.661
    6    HB3  MET   1           HB3      MET   1  15.347  13.777  13.828
    7    HG2  MET   1           HG2      MET   1  15.213  15.870  12.483
    8    HG3  MET   1           HG3      MET   1  14.198  15.040  11.295
    9    HE1  MET   1           HE1      MET   1  11.686  17.525  12.946
   10    HE2  MET   1           HE2      MET   1  13.405  17.808  12.606
   11    HE3  MET   1           HE3      MET   1  12.395  16.936  11.428
   12    H    ALA   2           H        ALA   2  14.934  11.502  10.737
   13    HA   ALA   2           HA       ALA   2  15.667  12.169   7.987
   14    HB1  ALA   2           HB1      ALA   2  15.246   9.844   8.745
   15    HB2  ALA   2           HB2      ALA   2  13.559  10.271   9.127
   16    HB3  ALA   2           HB3      ALA   2  14.137  10.320   7.449
   17    H    SER   3           H        SER   3  14.037  12.652   6.311
   18    HA   SER   3           HA       SER   3  12.546  14.997   6.906
   19    HB2  SER   3           HB2      SER   3  12.378  13.190   4.462
   20    HB3  SER   3           HB3      SER   3  11.772  14.855   4.580
   21    HG   SER   3           HG       SER   3  13.885  14.761   3.619
   22    HA   PRO   4           HA       PRO   4   8.654  13.202   8.172
   23    HB2  PRO   4           HB2      PRO   4   6.991  15.353   8.093
   24    HB3  PRO   4           HB3      PRO   4   8.358  15.243   9.243
   25    HG2  PRO   4           HG2      PRO   4   8.300  16.670   6.560
   26    HG3  PRO   4           HG3      PRO   4   8.839  17.320   8.141
   27    HD2  PRO   4           HD2      PRO   4  10.600  16.297   6.332
   28    HD3  PRO   4           HD3      PRO   4  10.831  16.065   8.093
   29    H    HIS   5           H        HIS   5   8.948  14.640   4.956
   30    HA   HIS   5           HA       HIS   5   6.656  12.995   3.967
   31    HB2  HIS   5           HB2      HIS   5   7.435  15.829   3.131
   32    HB3  HIS   5           HB3      HIS   5   6.226  14.838   2.331
   33    HD1  HIS   5           HD1      HIS   5   5.347  14.209   5.765
   34    HD2  HIS   5           HD2      HIS   5   5.147  17.499   3.156
   35    HE1  HIS   5           HE1      HIS   5   3.534  15.741   6.687
   36    H    GLN   6           H        GLN   6   6.861  12.496   1.618
   37    HA   GLN   6           HA       GLN   6   9.628  11.814   0.853
   38    HB2  GLN   6           HB2      GLN   6   6.937  11.389  -0.533
   39    HB3  GLN   6           HB3      GLN   6   8.491  10.831  -1.160
   40    HG2  GLN   6           HG2      GLN   6   8.807   9.438   0.893
   41    HG3  GLN   6           HG3      GLN   6   7.199   9.916   1.448
   42   HE21  GLN   6          HE22      GLN   6   7.893   7.162   1.012
   43   HE22  GLN   6          HE21      GLN   6   6.977   6.609  -0.379
   44    H    GLU   7           H        GLU   7  10.601  12.447  -1.151
   45    HA   GLU   7           HA       GLU   7   9.403  14.740  -2.586
   46    HB2  GLU   7           HB2      GLU   7  11.120  15.646  -1.069
   47    HB3  GLU   7           HB3      GLU   7  12.323  14.562  -1.787
   48    HG2  GLU   7           HG2      GLU   7  11.864  15.682  -4.024
   49    HG3  GLU   7           HG3      GLU   7  10.824  16.826  -3.168
   50    HA   PRO   8           HA       PRO   8  10.477  11.778  -5.799
   51    HB2  PRO   8           HB2      PRO   8   9.472  13.014  -7.983
   52    HB3  PRO   8           HB3      PRO   8   8.422  12.382  -6.677
   53    HG2  PRO   8           HG2      PRO   8   9.404  15.233  -7.054
   54    HG3  PRO   8           HG3      PRO   8   7.728  14.671  -6.755
   55    HD2  PRO   8           HD2      PRO   8   9.358  15.549  -4.737
   56    HD3  PRO   8           HD3      PRO   8   8.167  14.241  -4.491
   57    H    LYS   9           H        LYS   9  12.118  11.367  -7.123
   58    HA   LYS   9           HA       LYS   9  13.844  13.556  -8.180
   59    HB2  LYS   9           HB2      LYS   9  14.566  10.870  -6.918
   60    HB3  LYS   9           HB3      LYS   9  15.715  11.762  -7.890
   61    HG2  LYS   9           HG2      LYS   9  14.450  12.720  -5.295
   62    HG3  LYS   9           HG3      LYS   9  16.111  12.162  -5.542
   63    HD2  LYS   9           HD2      LYS   9  16.237  14.105  -7.323
   64    HD3  LYS   9           HD3      LYS   9  14.834  14.758  -6.485
   65    HE2  LYS   9           HE2      LYS   9  17.560  14.119  -5.256
   66    HE3  LYS   9           HE3      LYS   9  16.971  15.726  -5.663
   67    HZ1  LYS   9           HZ1      LYS   9  15.724  13.968  -3.613
   68    HZ2  LYS   9           HZ2      LYS   9  16.721  15.217  -3.295
   69    HZ3  LYS   9           HZ3      LYS   9  15.259  15.511  -3.948
   70    HA   PRO  10           HA       PRO  10  13.546  12.162 -12.295
   71    HB2  PRO  10           HB2      PRO  10  16.517  11.575 -12.193
   72    HB3  PRO  10           HB3      PRO  10  15.577  12.360 -13.498
   73    HG2  PRO  10           HG2      PRO  10  16.920  13.901 -11.771
   74    HG3  PRO  10           HG3      PRO  10  15.226  14.326 -12.183
   75    HD2  PRO  10           HD2      PRO  10  16.275  12.911  -9.733
   76    HD3  PRO  10           HD3      PRO  10  15.033  14.198  -9.855
   77    H    GLY  11           H        GLY  11  12.699  10.324 -13.072
   78    HA2  GLY  11           HA2      GLY  11  12.723   8.086 -13.826
   79    HA3  GLY  11           HA3      GLY  11  13.971   7.676 -12.628
   80    H    ASP  12           H        ASP  12  12.003   9.284 -10.653
   81    HA   ASP  12           HA       ASP  12  10.974   6.934  -9.478
   82    HB2  ASP  12           HB2      ASP  12  10.385   9.865  -9.001
   83    HB3  ASP  12           HB3      ASP  12   9.580   8.599  -8.106
   84    H    LEU  13           H        LEU  13   9.125   5.931  -9.383
   85    HA   LEU  13           HA       LEU  13   6.967   6.556 -11.319
   86    HB2  LEU  13           HB2      LEU  13   7.479   4.220  -9.417
   87    HB3  LEU  13           HB3      LEU  13   6.055   4.350 -10.448
   88    HG   LEU  13           HG       LEU  13   8.921   4.292 -11.517
   89   HD11  LEU  13          HD11      LEU  13   8.503   1.972 -12.122
   90   HD12  LEU  13          HD12      LEU  13   8.348   2.167 -10.373
   91   HD13  LEU  13          HD13      LEU  13   6.889   2.024 -11.377
   92   HD21  LEU  13          HD21      LEU  13   7.253   5.344 -13.056
   93   HD22  LEU  13          HD22      LEU  13   7.838   3.792 -13.678
   94   HD23  LEU  13          HD23      LEU  13   6.240   3.896 -12.907
   95    H    ILE  14           H        ILE  14   5.332   7.757 -10.764
   96    HA   ILE  14           HA       ILE  14   4.922   8.464  -7.884
   97    HB   ILE  14           HB       ILE  14   3.797   9.785 -10.386
   98   HG12  ILE  14          HG12      ILE  14   6.185  10.151 -10.431
   99   HG13  ILE  14          HG13      ILE  14   5.372  11.637  -9.983
  100   HG21  ILE  14          HG21      ILE  14   2.389  10.141  -8.432
  101   HG22  ILE  14          HG22      ILE  14   3.777  10.635  -7.455
  102   HG23  ILE  14          HG23      ILE  14   3.230  11.641  -8.818
  103   HD11  ILE  14          HD11      ILE  14   6.000  11.288  -7.602
  104   HD12  ILE  14          HD12      ILE  14   6.822   9.769  -8.053
  105   HD13  ILE  14          HD13      ILE  14   7.413  11.317  -8.664
  106    H    GLU  15           H        GLU  15   3.264   7.690  -6.854
  107    HA   GLU  15           HA       GLU  15   1.114   6.135  -8.222
  108    HB2  GLU  15           HB2      GLU  15   2.609   4.859  -6.750
  109    HB3  GLU  15           HB3      GLU  15   2.422   6.048  -5.465
  110    HG2  GLU  15           HG2      GLU  15   0.004   5.423  -5.282
  111    HG3  GLU  15           HG3      GLU  15   0.260   4.185  -6.519
  112    H    ILE  16           H        ILE  16  -0.758   7.266  -8.299
  113    HA   ILE  16           HA       ILE  16  -1.226   9.540  -6.405
  114    HB   ILE  16           HB       ILE  16  -2.275   9.151  -9.235
  115   HG12  ILE  16          HG12      ILE  16   0.032  10.950  -8.361
  116   HG13  ILE  16          HG13      ILE  16   0.222   9.425  -9.229
  117   HG21  ILE  16          HG21      ILE  16  -3.667  10.601  -7.772
  118   HG22  ILE  16          HG22      ILE  16  -2.255  11.622  -7.434
  119   HG23  ILE  16          HG23      ILE  16  -2.933  11.526  -9.072
  120   HD11  ILE  16          HD11      ILE  16  -1.061  10.311 -11.145
  121   HD12  ILE  16          HD12      ILE  16  -1.134  11.900 -10.350
  122   HD13  ILE  16          HD13      ILE  16   0.431  11.210 -10.803
  123    H    PHE  17           H        PHE  17  -3.007   9.520  -5.182
  124    HA   PHE  17           HA       PHE  17  -5.007   7.322  -5.508
  125    HB2  PHE  17           HB2      PHE  17  -4.150   8.916  -3.062
  126    HB3  PHE  17           HB3      PHE  17  -5.452   7.741  -3.096
  127    HD1  PHE  17           HD1      PHE  17  -1.772   8.185  -3.252
  128    HD2  PHE  17           HD2      PHE  17  -5.013   5.338  -3.198
  129    HE1  PHE  17           HE1      PHE  17  -0.161   6.348  -2.803
  130    HE2  PHE  17           HE2      PHE  17  -3.396   3.511  -2.735
  131    HZ   PHE  17           HZ       PHE  17  -0.975   4.015  -2.532
  132    H    ARG  18           H        ARG  18  -6.643   8.052  -6.640
  133    HA   ARG  18           HA       ARG  18  -7.770  10.780  -6.348
  134    HB2  ARG  18           HB2      ARG  18  -8.738   8.503  -8.130
  135    HB3  ARG  18           HB3      ARG  18  -9.143  10.209  -8.245
  136    HG2  ARG  18           HG2      ARG  18  -6.716  10.681  -8.839
  137    HG3  ARG  18           HG3      ARG  18  -6.438   8.938  -8.841
  138    HD2  ARG  18           HD2      ARG  18  -6.780   9.639 -11.111
  139    HD3  ARG  18           HD3      ARG  18  -8.175   8.670 -10.603
  140    HE   ARG  18           HE       ARG  18  -8.513  11.562 -10.235
  141   HH11  ARG  18          HH11      ARG  18  -8.854   9.008 -12.676
  142   HH12  ARG  18          HH12      ARG  18 -10.020   9.923 -13.584
  143   HH21  ARG  18          HH21      ARG  18 -10.042  12.656 -11.444
  144   HH22  ARG  18          HH22      ARG  18 -10.670  11.961 -12.904
  145    H    LEU  19           H        LEU  19 -10.389  10.605  -6.413
  146    HA   LEU  19           HA       LEU  19 -11.303   9.234  -4.026
  147    HB2  LEU  19           HB2      LEU  19 -12.846  10.659  -6.232
  148    HB3  LEU  19           HB3      LEU  19 -13.534  10.079  -4.719
  149    HG   LEU  19           HG       LEU  19 -11.410  12.256  -4.977
  150   HD11  LEU  19          HD11      LEU  19 -14.370  12.418  -4.272
  151   HD12  LEU  19          HD12      LEU  19 -13.227  13.776  -4.289
  152   HD13  LEU  19          HD13      LEU  19 -13.630  12.944  -5.802
  153   HD21  LEU  19          HD21      LEU  19 -11.866  12.683  -2.568
  154   HD22  LEU  19          HD22      LEU  19 -12.880  11.227  -2.504
  155   HD23  LEU  19          HD23      LEU  19 -11.134  11.100  -2.826
  156    H    GLY  20           H        GLY  20 -11.209   7.063  -4.088
  157    HA2  GLY  20           HA2      GLY  20 -12.162   4.976  -4.401
  158    HA3  GLY  20           HA3      GLY  20 -13.167   5.633  -5.715
  159    H    TYR  21           H        TYR  21  -9.904   6.302  -6.386
  160    HA   TYR  21           HA       TYR  21  -9.317   3.810  -7.780
  161    HB2  TYR  21           HB2      TYR  21  -9.816   6.424  -9.277
  162    HB3  TYR  21           HB3      TYR  21  -9.086   4.999  -9.990
  163    HD1  TYR  21           HD1      TYR  21 -10.427   2.848 -10.193
  164    HD2  TYR  21           HD2      TYR  21 -12.202   6.646  -9.183
  165    HE1  TYR  21           HE1      TYR  21 -12.660   1.974 -10.851
  166    HE2  TYR  21           HE2      TYR  21 -14.443   5.776  -9.829
  167    HH   TYR  21           HH       TYR  21 -14.917   2.425 -11.049
  168    H    GLU  22           H        GLU  22  -7.165   3.832  -8.843
  169    HA   GLU  22           HA       GLU  22  -5.314   5.915  -7.760
  170    HB2  GLU  22           HB2      GLU  22  -4.739   2.964  -8.230
  171    HB3  GLU  22           HB3      GLU  22  -3.539   4.194  -7.851
  172    HG2  GLU  22           HG2      GLU  22  -3.938   3.158  -5.803
  173    HG3  GLU  22           HG3      GLU  22  -4.796   4.692  -5.716
  174    H    HIS  23           H        HIS  23  -3.463   6.423  -9.069
  175    HA   HIS  23           HA       HIS  23  -3.475   5.631 -11.915
  176    HB2  HIS  23           HB2      HIS  23  -5.020   7.710 -11.425
  177    HB3  HIS  23           HB3      HIS  23  -3.517   8.599 -11.233
  178    HD1  HIS  23           HD1      HIS  23  -2.197   9.090 -13.593
  179    HD2  HIS  23           HD2      HIS  23  -5.700   6.761 -13.826
  180    HE1  HIS  23           HE1      HIS  23  -2.770   8.890 -16.065
  181    H    TRP  24           H        TRP  24  -1.450   6.424 -13.067
  182    HA   TRP  24           HA       TRP  24   0.821   6.897 -11.184
  183    HB2  TRP  24           HB2      TRP  24   0.458   4.616 -13.144
  184    HB3  TRP  24           HB3      TRP  24   2.037   5.103 -12.549
  185    HD1  TRP  24           HD1      TRP  24   2.753   4.505 -10.166
  186    HE1  TRP  24           HE1      TRP  24   1.847   2.942  -8.346
  187    HE3  TRP  24           HE3      TRP  24  -1.930   3.663 -12.073
  188    HZ2  TRP  24           HZ2      TRP  24  -0.636   1.619  -7.723
  189    HZ3  TRP  24           HZ3      TRP  24  -3.555   2.268 -10.825
  190    HH2  TRP  24           HH2      TRP  24  -2.918   1.243  -8.650
  191    H    ALA  25           H        ALA  25   2.770   7.626 -12.014
  192    HA   ALA  25           HA       ALA  25   2.971   8.549 -14.820
  193    HB1  ALA  25           HB1      ALA  25   3.004  10.517 -12.474
  194    HB2  ALA  25           HB2      ALA  25   3.317  10.907 -14.178
  195    HB3  ALA  25           HB3      ALA  25   1.705  10.365 -13.676
  196    H    LEU  26           H        LEU  26   5.099   9.419 -15.367
  197    HA   LEU  26           HA       LEU  26   7.332   8.267 -13.726
  198    HB2  LEU  26           HB2      LEU  26   6.792   7.556 -16.195
  199    HB3  LEU  26           HB3      LEU  26   7.371   9.131 -16.669
  200    HG   LEU  26           HG       LEU  26   9.056   7.517 -17.061
  201   HD11  LEU  26          HD11      LEU  26  10.004   8.956 -14.559
  202   HD12  LEU  26          HD12      LEU  26  10.979   8.363 -15.913
  203   HD13  LEU  26          HD13      LEU  26   9.850   9.706 -16.166
  204   HD21  LEU  26          HD21      LEU  26   8.965   6.725 -14.116
  205   HD22  LEU  26          HD22      LEU  26   8.282   5.780 -15.462
  206   HD23  LEU  26          HD23      LEU  26  10.029   6.056 -15.368
  207    H    TYR  27           H        TYR  27   8.362   9.815 -12.488
  208    HA   TYR  27           HA       TYR  27   8.108  12.674 -13.168
  209    HB2  TYR  27           HB2      TYR  27   7.832  11.873 -10.881
  210    HB3  TYR  27           HB3      TYR  27   9.482  11.259 -10.859
  211    HD1  TYR  27           HD2      TYR  27  11.383  12.815 -10.788
  212    HD2  TYR  27           HD1      TYR  27   7.335  14.244 -10.627
  213    HE1  TYR  27           HE2      TYR  27  12.193  14.968  -9.825
  214    HE2  TYR  27           HE1      TYR  27   8.138  16.441  -9.764
  215    HH   TYR  27           HH       TYR  27  11.598  17.055  -9.020
  216    H    ILE  28           H        ILE  28   9.580  13.966 -14.076
  217    HA   ILE  28           HA       ILE  28  12.126  12.639 -14.989
  218    HB   ILE  28           HB       ILE  28  11.983  13.875 -17.014
  219   HG12  ILE  28          HG12      ILE  28   9.362  15.112 -16.077
  220   HG13  ILE  28          HG13      ILE  28  10.912  15.969 -16.105
  221   HG21  ILE  28          HG21      ILE  28   9.209  12.681 -16.541
  222   HG22  ILE  28          HG22      ILE  28  10.165  12.717 -18.033
  223   HG23  ILE  28          HG23      ILE  28  10.687  11.712 -16.692
  224   HD11  ILE  28          HD11      ILE  28   9.423  14.839 -18.499
  225   HD12  ILE  28          HD12      ILE  28   9.728  16.546 -18.102
  226   HD13  ILE  28          HD13      ILE  28  11.079  15.483 -18.563
  227    H    GLY  29           H        GLY  29  11.319  14.944 -12.787
  228    HA2  GLY  29           HA2      GLY  29  13.041  16.161 -11.569
  229    HA3  GLY  29           HA3      GLY  29  13.954  16.367 -13.067
  230    H    ASP  30           H        ASP  30  13.522  18.471 -11.468
  231    HA   ASP  30           HA       ASP  30  12.891  20.621 -11.394
  232    HB2  ASP  30           HB2      ASP  30  13.883  20.344 -13.705
  233    HB3  ASP  30           HB3      ASP  30  12.245  20.317 -14.344
  234    H    GLY  31           H        GLY  31  10.722  18.608 -10.925
  235    HA2  GLY  31           HA2      GLY  31   8.595  18.873 -10.018
  236    HA3  GLY  31           HA3      GLY  31   8.421  20.452 -10.818
  237    H    TYR  32           H        TYR  32   9.428  18.277 -13.194
  238    HA   TYR  32           HA       TYR  32   6.641  18.130 -14.193
  239    HB2  TYR  32           HB2      TYR  32   9.338  17.892 -15.557
  240    HB3  TYR  32           HB3      TYR  32   7.816  17.569 -16.373
  241    HD1  TYR  32           HD2      TYR  32   6.195  19.352 -16.866
  242    HD2  TYR  32           HD1      TYR  32   9.958  20.193 -14.945
  243    HE1  TYR  32           HE2      TYR  32   5.892  21.775 -17.340
  244    HE2  TYR  32           HE1      TYR  32   9.672  22.611 -15.424
  245    HH   TYR  32           HH       TYR  32   8.333  24.229 -16.377
  246    H    VAL  33           H        VAL  33   5.733  16.388 -15.203
  247    HA   VAL  33           HA       VAL  33   6.920  13.682 -14.753
  248    HB   VAL  33           HB       VAL  33   4.583  12.839 -14.328
  249   HG11  VAL  33          HG11      VAL  33   6.127  13.027 -12.463
  250   HG12  VAL  33          HG12      VAL  33   5.683  14.733 -12.225
  251   HG13  VAL  33          HG13      VAL  33   4.488  13.439 -11.956
  252   HG21  VAL  33          HG21      VAL  33   3.337  14.864 -15.150
  253   HG22  VAL  33          HG22      VAL  33   2.840  14.308 -13.540
  254   HG23  VAL  33          HG23      VAL  33   3.878  15.736 -13.707
  255    H    ILE  34           H        ILE  34   6.236  12.102 -16.177
  256    HA   ILE  34           HA       ILE  34   4.709  12.971 -18.608
  257    HB   ILE  34           HB       ILE  34   7.110  11.135 -18.325
  258   HG12  ILE  34          HG12      ILE  34   6.386  13.493 -20.126
  259   HG13  ILE  34          HG13      ILE  34   7.417  13.566 -18.703
  260   HG21  ILE  34          HG21      ILE  34   6.648  10.459 -20.746
  261   HG22  ILE  34          HG22      ILE  34   5.466   9.829 -19.614
  262   HG23  ILE  34          HG23      ILE  34   5.060  11.239 -20.612
  263   HD11  ILE  34          HD11      ILE  34   8.802  13.605 -20.660
  264   HD12  ILE  34          HD12      ILE  34   9.052  12.055 -19.839
  265   HD13  ILE  34          HD13      ILE  34   8.056  12.144 -21.307
  266    H    HIS  35           H        HIS  35   2.935  11.762 -19.166
  267    HA   HIS  35           HA       HIS  35   2.127   9.463 -17.461
  268    HB2  HIS  35           HB2      HIS  35   0.113  10.778 -16.697
  269    HB3  HIS  35           HB3      HIS  35   1.630  11.396 -16.060
  270    HD1  HIS  35           HD1      HIS  35  -1.312  12.542 -18.143
  271    HD2  HIS  35           HD2      HIS  35   2.613  13.735 -17.219
  272    HE1  HIS  35           HE1      HIS  35  -1.088  14.964 -18.898
  273    H    LEU  36           H        LEU  36   0.045   8.523 -18.180
  274    HA   LEU  36           HA       LEU  36  -0.571   9.064 -21.056
  275    HB2  LEU  36           HB2      LEU  36  -0.012   6.721 -20.342
  276    HB3  LEU  36           HB3      LEU  36  -1.337   6.776 -19.178
  277    HG   LEU  36           HG       LEU  36  -2.936   7.088 -21.137
  278   HD11  LEU  36          HD11      LEU  36  -0.447   6.360 -22.754
  279   HD12  LEU  36          HD12      LEU  36  -2.104   6.405 -23.386
  280   HD13  LEU  36          HD13      LEU  36  -1.328   7.894 -22.836
  281   HD21  LEU  36          HD21      LEU  36  -1.235   4.556 -21.080
  282   HD22  LEU  36          HD22      LEU  36  -2.616   4.914 -20.026
  283   HD23  LEU  36          HD23      LEU  36  -2.868   4.699 -21.761
  284    H    ALA  37           H        ALA  37  -2.401  10.248 -21.518
  285    HA   ALA  37           HA       ALA  37  -4.286  10.984 -19.385
  286    HB1  ALA  37           HB1      ALA  37  -3.631  12.620 -21.065
  287    HB2  ALA  37           HB2      ALA  37  -4.201  11.578 -22.384
  288    HB3  ALA  37           HB3      ALA  37  -5.362  12.268 -21.225
  289    HA   PRO  38           HA       PRO  38  -6.538   7.244 -20.170
  290    HB2  PRO  38           HB2      PRO  38  -8.817   7.598 -18.678
  291    HB3  PRO  38           HB3      PRO  38  -7.198   7.306 -17.972
  292    HG2  PRO  38           HG2      PRO  38  -8.594   9.967 -18.399
  293    HG3  PRO  38           HG3      PRO  38  -7.778   9.371 -16.917
  294    HD2  PRO  38           HD2      PRO  38  -6.527  11.024 -18.684
  295    HD3  PRO  38           HD3      PRO  38  -5.638   9.713 -17.844
  296    HA   PRO  39           HA       PRO  39  -9.556   8.348 -23.378
  297    HB2  PRO  39           HB2      PRO  39 -10.109   5.923 -24.384
  298    HB3  PRO  39           HB3      PRO  39  -8.456   6.586 -24.424
  299    HG2  PRO  39           HG2      PRO  39  -9.608   4.577 -22.502
  300    HG3  PRO  39           HG3      PRO  39  -8.015   4.580 -23.337
  301    HD2  PRO  39           HD2      PRO  39  -8.546   5.509 -20.710
  302    HD3  PRO  39           HD3      PRO  39  -7.092   5.876 -21.673
  303    H    SER  40           H        SER  40 -11.823   7.054 -24.134
  304    HA   SER  40           HA       SER  40 -13.561   6.531 -21.793
  305    HB2  SER  40           HB2      SER  40 -13.447   9.000 -22.064
  306    HB3  SER  40           HB3      SER  40 -14.055   8.836 -23.717
  307    HG   SER  40           HG       SER  40 -15.694   9.303 -22.033
  308    H    GLU  41           H        GLU  41 -15.961   6.480 -22.839
  309    HA   GLU  41           HA       GLU  41 -15.921   4.257 -24.817
  310    HB2  GLU  41           HB2      GLU  41 -18.131   5.359 -23.024
  311    HB3  GLU  41           HB3      GLU  41 -18.257   3.920 -24.042
  312    HG2  GLU  41           HG2      GLU  41 -16.504   2.801 -22.732
  313    HG3  GLU  41           HG3      GLU  41 -16.341   4.222 -21.694
  314    H    TYR  42           H        TYR  42 -16.007   7.502 -25.149
  315    HA   TYR  42           HA       TYR  42 -18.215   8.383 -26.063
  316    HB2  TYR  42           HB2      TYR  42 -15.948   9.538 -25.954
  317    HB3  TYR  42           HB3      TYR  42 -15.879   9.249 -27.694
  318    HD1  TYR  42           HD1      TYR  42 -18.607  10.360 -25.289
  319    HD2  TYR  42           HD2      TYR  42 -16.267  11.305 -28.789
  320    HE1  TYR  42           HE1      TYR  42 -19.909  12.439 -25.595
  321    HE2  TYR  42           HE2      TYR  42 -17.554  13.404 -29.080
  322    HH   TYR  42           HH       TYR  42 -19.265  14.746 -28.278
  323    HA   PRO  43           HA       PRO  43 -18.375   7.196 -30.678
  324    HB2  PRO  43           HB2      PRO  43 -17.144   4.889 -31.527
  325    HB3  PRO  43           HB3      PRO  43 -16.379   6.502 -31.548
  326    HG2  PRO  43           HG2      PRO  43 -16.120   4.324 -29.458
  327    HG3  PRO  43           HG3      PRO  43 -14.813   5.290 -30.217
  328    HD2  PRO  43           HD2      PRO  43 -15.838   5.908 -27.779
  329    HD3  PRO  43           HD3      PRO  43 -15.356   7.198 -28.907
  330    H    GLY  44           H        GLY  44 -18.668   5.015 -27.984
  331    HA2  GLY  44           HA2      GLY  44 -21.028   3.645 -29.215
  332    HA3  GLY  44           HA3      GLY  44 -19.948   2.929 -28.000
  333    H    ALA  45           H        ALA  45 -20.732   6.320 -27.625
  334    HA   ALA  45           HA       ALA  45 -21.806   6.014 -25.026
  335    HB1  ALA  45           HB1      ALA  45 -22.445   8.387 -25.240
  336    HB2  ALA  45           HB2      ALA  45 -20.824   8.120 -25.896
  337    HB3  ALA  45           HB3      ALA  45 -22.207   8.311 -26.997
  338    H    GLY  46           H        GLY  46 -23.885   6.164 -24.161
  339    HA2  GLY  46           HA2      GLY  46 -25.664   4.359 -25.240
  340    HA3  GLY  46           HA3      GLY  46 -26.093   5.494 -23.962
  341    H    SER  47           H        SER  47 -27.272   4.316 -26.601
  342    HA   SER  47           HA       SER  47 -28.980   4.836 -28.005
  343    HB2  SER  47           HB2      SER  47 -29.553   6.495 -26.067
  344    HB3  SER  47           HB3      SER  47 -29.023   7.740 -27.206
  345    HG   SER  47           HG       SER  47 -31.303   7.306 -27.354
  346    H    SER  48           H        SER  48 -25.895   6.009 -28.338
  347    HA   SER  48           HA       SER  48 -26.370   7.094 -31.098
  348    HB2  SER  48           HB2      SER  48 -24.214   7.913 -29.116
  349    HB3  SER  48           HB3      SER  48 -24.420   8.523 -30.758
  350    HG   SER  48           HG       SER  48 -26.282   8.855 -28.601
  351    H    SER  49           H        SER  49 -24.237   7.024 -32.414
  352    HA   SER  49           HA       SER  49 -22.318   4.920 -31.780
  353    HB2  SER  49           HB2      SER  49 -24.200   3.614 -32.770
  354    HB3  SER  49           HB3      SER  49 -24.077   4.590 -34.242
  355    HG   SER  49           HG       SER  49 -22.886   2.512 -34.252
  356    H    VAL  50           H        VAL  50 -21.022   4.682 -34.113
  357    HA   VAL  50           HA       VAL  50 -19.415   6.978 -34.085
  358    HB   VAL  50           HB       VAL  50 -18.252   6.122 -36.085
  359   HG11  VAL  50          HG11      VAL  50 -17.729   5.267 -33.851
  360   HG12  VAL  50          HG12      VAL  50 -18.914   3.953 -34.055
  361   HG13  VAL  50          HG13      VAL  50 -17.481   4.036 -35.099
  362   HG21  VAL  50          HG21      VAL  50 -20.147   5.241 -37.400
  363   HG22  VAL  50          HG22      VAL  50 -18.914   4.000 -37.136
  364   HG23  VAL  50          HG23      VAL  50 -20.413   3.970 -36.190
  365    H    PHE  51           H        PHE  51 -22.282   6.576 -36.005
  366    HA   PHE  51           HA       PHE  51 -21.661   8.761 -37.882
  367    HB2  PHE  51           HB2      PHE  51 -24.253   7.235 -37.409
  368    HB3  PHE  51           HB3      PHE  51 -23.867   8.255 -38.789
  369    HD1  PHE  51           HD2      PHE  51 -21.752   7.572 -40.209
  370    HD2  PHE  51           HD1      PHE  51 -23.845   4.901 -37.547
  371    HE1  PHE  51           HE2      PHE  51 -20.772   5.616 -41.395
  372    HE2  PHE  51           HE1      PHE  51 -22.868   2.956 -38.729
  373    HZ   PHE  51           HZ       PHE  51 -21.325   3.308 -40.649
  374    H    SER  52           H        SER  52 -23.193   8.450 -34.755
  375    HA   SER  52           HA       SER  52 -24.364  11.209 -34.930
  376    HB2  SER  52           HB2      SER  52 -25.969  10.322 -33.210
  377    HB3  SER  52           HB3      SER  52 -26.099   9.612 -34.822
  378    HG   SER  52           HG       SER  52 -26.160   7.897 -33.497
  379    H    VAL  53           H        VAL  53 -22.049   9.277 -33.194
  380    HA   VAL  53           HA       VAL  53 -21.366  11.685 -31.615
  381    HB   VAL  53           HB       VAL  53 -22.660  10.226 -30.088
  382   HG11  VAL  53          HG11      VAL  53 -21.716   8.088 -29.278
  383   HG12  VAL  53          HG12      VAL  53 -22.170   8.006 -30.975
  384   HG13  VAL  53          HG13      VAL  53 -20.461   8.159 -30.533
  385   HG21  VAL  53          HG21      VAL  53 -19.722  10.371 -29.323
  386   HG22  VAL  53          HG22      VAL  53 -20.880  11.717 -29.236
  387   HG23  VAL  53          HG23      VAL  53 -21.110  10.277 -28.231
  388    H    LEU  54           H        LEU  54 -19.162  11.951 -31.245
  389    HA   LEU  54           HA       LEU  54 -17.524  10.750 -33.343
  390    HB2  LEU  54           HB2      LEU  54 -16.834  12.850 -31.251
  391    HB3  LEU  54           HB3      LEU  54 -15.886  12.467 -32.677
  392    HG   LEU  54           HG       LEU  54 -18.673  13.709 -32.688
  393   HD11  LEU  54          HD11      LEU  54 -17.495  15.715 -33.490
  394   HD12  LEU  54          HD12      LEU  54 -16.884  15.217 -31.902
  395   HD13  LEU  54          HD13      LEU  54 -15.933  14.871 -33.364
  396   HD21  LEU  54          HD21      LEU  54 -18.408  12.343 -34.703
  397   HD22  LEU  54          HD22      LEU  54 -18.252  14.047 -35.133
  398   HD23  LEU  54          HD23      LEU  54 -16.796  13.037 -35.000
  399    H    SER  55           H        SER  55 -15.097  10.408 -32.769
  400    HA   SER  55           HA       SER  55 -14.946   8.212 -30.814
  401    HB2  SER  55           HB2      SER  55 -12.753   7.806 -31.851
  402    HB3  SER  55           HB3      SER  55 -14.077   7.817 -33.021
  403    HG   SER  55           HG       SER  55 -12.256   9.051 -33.778
  404    H    ASN  56           H        ASN  56 -12.608   8.079 -29.769
  405    HA   ASN  56           HA       ASN  56 -11.525  10.582 -28.775
  406    HB2  ASN  56           HB2      ASN  56 -11.829  10.149 -26.427
  407    HB3  ASN  56           HB3      ASN  56 -13.417  10.083 -27.173
  408   HD21  ASN  56          HD22      ASN  56 -14.603   8.052 -27.063
  409   HD22  ASN  56          HD21      ASN  56 -13.895   6.652 -26.252
  410    H    SER  57           H        SER  57  -9.559   9.956 -27.202
  411    HA   SER  57           HA       SER  57  -8.577   7.247 -27.365
  412    HB2  SER  57           HB2      SER  57  -6.467   7.731 -28.566
  413    HB3  SER  57           HB3      SER  57  -7.883   7.806 -29.606
  414    HG   SER  57           HG       SER  57  -7.792  10.101 -29.500
  415    H    ALA  58           H        ALA  58  -6.446   6.964 -26.363
  416    HA   ALA  58           HA       ALA  58  -5.928   8.861 -24.114
  417    HB1  ALA  58           HB1      ALA  58  -6.152   6.526 -23.518
  418    HB2  ALA  58           HB2      ALA  58  -5.047   6.018 -24.794
  419    HB3  ALA  58           HB3      ALA  58  -4.437   6.942 -23.399
  420    H    GLU  59           H        GLU  59  -3.773   9.682 -23.820
  421    HA   GLU  59           HA       GLU  59  -1.906   9.468 -26.097
  422    HB2  GLU  59           HB2      GLU  59  -3.507  11.412 -26.544
  423    HB3  GLU  59           HB3      GLU  59  -2.804  12.208 -25.117
  424    HG2  GLU  59           HG2      GLU  59  -0.599  12.225 -26.165
  425    HG3  GLU  59           HG3      GLU  59  -1.162  11.206 -27.489
  426    H    VAL  60           H        VAL  60   0.216   9.624 -25.476
  427    HA   VAL  60           HA       VAL  60   0.787   9.930 -22.596
  428    HB   VAL  60           HB       VAL  60   2.720   9.708 -24.898
  429   HG11  VAL  60          HG11      VAL  60   4.346   9.006 -23.132
  430   HG12  VAL  60          HG12      VAL  60   3.754  10.632 -22.814
  431   HG13  VAL  60          HG13      VAL  60   3.091   9.285 -21.892
  432   HG21  VAL  60          HG21      VAL  60   2.954   7.315 -24.242
  433   HG22  VAL  60          HG22      VAL  60   1.670   7.523 -23.039
  434   HG23  VAL  60          HG23      VAL  60   1.313   7.663 -24.774
  435    H    LYS  61           H        LYS  61   1.352  11.764 -21.629
  436    HA   LYS  61           HA       LYS  61   2.046  14.218 -23.202
  437    HB2  LYS  61           HB2      LYS  61  -0.148  13.799 -21.131
  438    HB3  LYS  61           HB3      LYS  61   0.412  15.403 -21.629
  439    HG2  LYS  61           HG2      LYS  61  -0.232  14.895 -23.979
  440    HG3  LYS  61           HG3      LYS  61  -0.843  13.308 -23.470
  441    HD2  LYS  61           HD2      LYS  61  -2.481  14.361 -22.001
  442    HD3  LYS  61           HD3      LYS  61  -1.844  15.978 -22.398
  443    HE2  LYS  61           HE2      LYS  61  -2.443  15.450 -24.836
  444    HE3  LYS  61           HE3      LYS  61  -3.275  14.007 -24.233
  445    HZ1  LYS  61           HZ1      LYS  61  -3.934  16.816 -23.487
  446    HZ2  LYS  61           HZ2      LYS  61  -4.811  15.873 -24.490
  447    HZ3  LYS  61           HZ3      LYS  61  -4.715  15.496 -22.904
  448    H    ARG  62           H        ARG  62   2.932  15.954 -21.933
  449    HA   ARG  62           HA       ARG  62   4.350  15.161 -19.418
  450    HB2  ARG  62           HB2      ARG  62   5.859  15.499 -21.368
  451    HB3  ARG  62           HB3      ARG  62   5.209  17.120 -21.593
  452    HG2  ARG  62           HG2      ARG  62   6.077  17.761 -19.321
  453    HG3  ARG  62           HG3      ARG  62   6.728  16.127 -19.138
  454    HD2  ARG  62           HD2      ARG  62   8.523  17.628 -19.818
  455    HD3  ARG  62           HD3      ARG  62   8.192  16.501 -21.120
  456    HE   ARG  62           HE       ARG  62   7.422  18.223 -22.469
  457   HH11  ARG  62          HH21      ARG  62   7.977  19.627 -19.237
  458   HH12  ARG  62          HH22      ARG  62   7.769  21.241 -19.832
  459   HH21  ARG  62          HH11      ARG  62   7.147  20.335 -23.124
  460   HH22  ARG  62          HH12      ARG  62   7.314  21.636 -21.989
  461    H    GLU  63           H        GLU  63   3.789  16.345 -17.640
  462    HA   GLU  63           HA       GLU  63   3.070  19.187 -17.887
  463    HB2  GLU  63           HB2      GLU  63   1.184  17.060 -16.881
  464    HB3  GLU  63           HB3      GLU  63   1.099  18.657 -16.185
  465    HG2  GLU  63           HG2      GLU  63   0.695  17.988 -19.106
  466    HG3  GLU  63           HG3      GLU  63  -0.550  18.386 -17.937
  467    H    ARG  64           H        ARG  64   2.706  20.106 -15.576
  468    HA   ARG  64           HA       ARG  64   4.946  19.362 -13.865
  469    HB2  ARG  64           HB2      ARG  64   2.668  21.338 -13.477
  470    HB3  ARG  64           HB3      ARG  64   4.028  21.125 -12.356
  471    HG2  ARG  64           HG2      ARG  64   5.626  21.721 -14.148
  472    HG3  ARG  64           HG3      ARG  64   4.282  21.950 -15.283
  473    HD2  ARG  64           HD2      ARG  64   3.371  23.740 -13.814
  474    HD3  ARG  64           HD3      ARG  64   4.778  23.559 -12.747
  475    HE   ARG  64           HE       ARG  64   5.767  23.945 -15.363
  476   HH11  ARG  64          HH11      ARG  64   3.997  25.886 -12.985
  477   HH12  ARG  64          HH12      ARG  64   4.559  27.385 -13.661
  478   HH21  ARG  64          HH21      ARG  64   6.430  25.906 -16.196
  479   HH22  ARG  64          HH22      ARG  64   5.935  27.393 -15.443
  480    H    LEU  65           H        LEU  65   4.909  18.287 -11.925
  481    HA   LEU  65           HA       LEU  65   3.072  16.217 -11.430
  482    HB2  LEU  65           HB2      LEU  65   5.340  16.303 -10.514
  483    HB3  LEU  65           HB3      LEU  65   4.954  17.724  -9.554
  484    HG   LEU  65           HG       LEU  65   3.417  16.418  -8.143
  485   HD11  LEU  65          HD11      LEU  65   2.699  14.683  -9.823
  486   HD12  LEU  65          HD12      LEU  65   4.321  13.965  -9.712
  487   HD13  LEU  65          HD13      LEU  65   3.260  13.992  -8.294
  488   HD21  LEU  65          HD21      LEU  65   5.150  15.042  -7.044
  489   HD22  LEU  65          HD22      LEU  65   6.163  15.148  -8.496
  490   HD23  LEU  65          HD23      LEU  65   5.803  16.608  -7.549
  491    H    GLU  66           H        GLU  66   3.146  19.396  -9.755
  492    HA   GLU  66           HA       GLU  66   0.909  19.101  -8.106
  493    HB2  GLU  66           HB2      GLU  66   1.426  21.730  -9.545
  494    HB3  GLU  66           HB3      GLU  66   0.772  21.448  -7.932
  495    HG2  GLU  66           HG2      GLU  66   3.055  20.514  -7.306
  496    HG3  GLU  66           HG3      GLU  66   3.606  21.071  -8.905
  497    H    ASP  67           H        ASP  67   0.986  20.375 -11.455
  498    HA   ASP  67           HA       ASP  67  -1.780  20.798 -11.714
  499    HB2  ASP  67           HB2      ASP  67  -0.067  21.748 -13.223
  500    HB3  ASP  67           HB3      ASP  67   0.237  20.147 -13.898
  501    H    VAL  68           H        VAL  68   0.162  17.911 -12.463
  502    HA   VAL  68           HA       VAL  68  -1.966  16.372 -13.567
  503    HB   VAL  68           HB       VAL  68   0.758  15.606 -12.496
  504   HG11  VAL  68          HG11      VAL  68  -1.291  13.716 -13.735
  505   HG12  VAL  68          HG12      VAL  68   0.434  13.353 -13.507
  506   HG13  VAL  68          HG13      VAL  68  -0.596  13.609 -12.100
  507   HG21  VAL  68          HG21      VAL  68  -0.544  15.729 -15.261
  508   HG22  VAL  68          HG22      VAL  68   0.712  16.806 -14.618
  509   HG23  VAL  68          HG23      VAL  68   1.079  15.109 -14.966
  510    H    VAL  69           H        VAL  69  -0.593  16.385 -10.172
  511    HA   VAL  69           HA       VAL  69  -2.469  14.386  -9.359
  512    HB   VAL  69           HB       VAL  69  -1.718  14.742  -7.142
  513   HG11  VAL  69          HG11      VAL  69   0.568  14.726  -9.128
  514   HG12  VAL  69          HG12      VAL  69   0.664  14.181  -7.451
  515   HG13  VAL  69          HG13      VAL  69  -0.388  13.334  -8.585
  516   HG21  VAL  69          HG21      VAL  69  -0.135  17.140  -8.088
  517   HG22  VAL  69          HG22      VAL  69  -1.463  17.137  -6.916
  518   HG23  VAL  69          HG23      VAL  69   0.058  16.340  -6.522
  519    H    GLY  70           H        GLY  70  -2.587  17.985  -9.222
  520    HA2  GLY  70           HA2      GLY  70  -4.352  19.401  -8.744
  521    HA3  GLY  70           HA3      GLY  70  -5.429  18.034  -9.061
  522    H    GLY  71           H        GLY  71  -6.788  17.763  -7.415
  523    HA2  GLY  71           HA2      GLY  71  -6.083  18.361  -4.608
  524    HA3  GLY  71           HA3      GLY  71  -7.656  17.823  -5.244
  525    H    CYS  72           H        CYS  72  -5.653  15.607  -6.565
  526    HA   CYS  72           HA       CYS  72  -6.353  13.528  -4.661
  527    HB2  CYS  72           HB2      CYS  72  -4.548  13.431  -7.116
  528    HB3  CYS  72           HB3      CYS  72  -5.270  12.050  -6.299
  529    HG   CYS  72           HG       CYS  72  -6.446  12.732  -8.678
  530    H    CYS  73           H        CYS  73  -4.951  12.221  -3.445
  531    HA   CYS  73           HA       CYS  73  -2.442  13.424  -2.469
  532    HB2  CYS  73           HB2      CYS  73  -3.860  10.796  -1.805
  533    HB3  CYS  73           HB3      CYS  73  -2.434  11.416  -0.965
  534    HG   CYS  73           HG       CYS  73  -3.526  13.698  -0.180
  535    H    TYR  74           H        TYR  74  -0.388  12.148  -2.445
  536    HA   TYR  74           HA       TYR  74  -0.131   9.979  -4.360
  537    HB2  TYR  74           HB2      TYR  74   1.320  10.997  -5.952
  538    HB3  TYR  74           HB3      TYR  74  -0.106  11.998  -5.851
  539    HD1  TYR  74           HD2      TYR  74  -0.009  14.213  -4.624
  540    HD2  TYR  74           HD1      TYR  74   3.510  11.833  -5.373
  541    HE1  TYR  74           HE2      TYR  74   1.423  16.197  -4.186
  542    HE2  TYR  74           HE1      TYR  74   4.946  13.811  -4.920
  543    HH   TYR  74           HH       TYR  74   3.575  17.028  -4.072
  544    H    ARG  75           H        ARG  75   1.963   9.049  -4.551
  545    HA   ARG  75           HA       ARG  75   4.014   9.665  -2.478
  546    HB2  ARG  75           HB2      ARG  75   2.867   6.873  -2.958
  547    HB3  ARG  75           HB3      ARG  75   4.133   7.306  -1.813
  548    HG2  ARG  75           HG2      ARG  75   2.405   8.733  -0.600
  549    HG3  ARG  75           HG3      ARG  75   1.177   7.994  -1.636
  550    HD2  ARG  75           HD2      ARG  75   3.026   6.581   0.328
  551    HD3  ARG  75           HD3      ARG  75   1.291   6.850   0.512
  552    HE   ARG  75           HE       ARG  75   1.817   5.337  -1.907
  553   HH11  ARG  75          HH11      ARG  75   1.695   4.821   1.618
  554   HH12  ARG  75          HH12      ARG  75   1.424   3.119   1.406
  555   HH21  ARG  75          HH21      ARG  75   1.500   3.303  -2.086
  556   HH22  ARG  75          HH22      ARG  75   1.288   2.225  -0.703
  557    H    VAL  76           H        VAL  76   6.030   8.470  -2.896
  558    HA   VAL  76           HA       VAL  76   6.534   7.809  -5.786
  559    HB   VAL  76           HB       VAL  76   8.435   8.224  -3.442
  560   HG11  VAL  76          HG11      VAL  76  10.262   7.923  -5.131
  561   HG12  VAL  76          HG12      VAL  76   9.376   6.440  -4.811
  562   HG13  VAL  76          HG13      VAL  76   9.050   7.354  -6.299
  563   HG21  VAL  76          HG21      VAL  76   7.518  10.312  -4.465
  564   HG22  VAL  76          HG22      VAL  76   9.258  10.131  -4.725
  565   HG23  VAL  76          HG23      VAL  76   8.129   9.781  -6.048
  566    H    ASN  77           H        ASN  77   6.625   5.641  -6.347
  567    HA   ASN  77           HA       ASN  77   7.200   3.630  -4.266
  568    HB2  ASN  77           HB2      ASN  77   4.712   4.104  -4.178
  569    HB3  ASN  77           HB3      ASN  77   4.585   3.467  -5.813
  570   HD21  ASN  77          HD22      ASN  77   3.033   1.994  -4.437
  571   HD22  ASN  77          HD21      ASN  77   3.792   0.556  -3.765
  572    H    ASN  78           H        ASN  78   9.090   3.311  -5.425
  573    HA   ASN  78           HA       ASN  78   9.068   2.567  -8.242
  574    HB2  ASN  78           HB2      ASN  78  11.303   2.702  -6.182
  575    HB3  ASN  78           HB3      ASN  78  11.542   2.386  -7.902
  576   HD21  ASN  78          HD22      ASN  78  12.791   4.569  -6.606
  577   HD22  ASN  78          HD21      ASN  78  12.131   6.035  -7.325
  578    H    SER  79           H        SER  79   7.435   0.702  -7.315
  579    HA   SER  79           HA       SER  79   8.415  -1.570  -6.006
  580    HB2  SER  79           HB2      SER  79   6.254  -1.564  -8.154
  581    HB3  SER  79           HB3      SER  79   6.414  -2.674  -6.783
  582    HG   SER  79           HG       SER  79   4.847  -1.044  -6.354
  583    H    LEU  80           H        LEU  80   8.615  -0.812  -9.458
  584    HA   LEU  80           HA       LEU  80   9.129  -3.462 -10.365
  585    HB2  LEU  80           HB2      LEU  80   9.992  -0.919 -11.772
  586    HB3  LEU  80           HB3      LEU  80   9.658  -2.512 -12.473
  587    HG   LEU  80           HG       LEU  80   7.585  -0.637 -11.255
  588   HD11  LEU  80          HD11      LEU  80   6.830  -0.336 -13.529
  589   HD12  LEU  80          HD12      LEU  80   8.541   0.099 -13.429
  590   HD13  LEU  80          HD13      LEU  80   8.082  -1.449 -14.144
  591   HD21  LEU  80          HD21      LEU  80   6.892  -2.950 -10.896
  592   HD22  LEU  80          HD22      LEU  80   5.924  -2.241 -12.197
  593   HD23  LEU  80          HD23      LEU  80   7.251  -3.360 -12.590
  594    H    ASP  81           H        ASP  81  11.254  -1.417  -8.653
  595    HA   ASP  81           HA       ASP  81  13.787  -2.236  -9.702
  596    HB2  ASP  81           HB2      ASP  81  13.165  -0.460  -7.873
  597    HB3  ASP  81           HB3      ASP  81  13.153  -1.843  -6.760
  598    H    HIS  82           H        HIS  82  11.459  -3.868  -7.710
  599    HA   HIS  82           HA       HIS  82  13.185  -6.115  -6.919
  600    HB2  HIS  82           HB2      HIS  82  11.411  -5.123  -5.521
  601    HB3  HIS  82           HB3      HIS  82  10.205  -5.506  -6.746
  602    HD1  HIS  82           HD1      HIS  82   9.423  -8.076  -6.976
  603    HD2  HIS  82           HD2      HIS  82  12.197  -7.192  -3.924
  604    HE1  HIS  82           HE1      HIS  82   9.448 -10.099  -5.419
  605    H    GLU  83           H        GLU  83  11.517  -5.233  -9.776
  606    HA   GLU  83           HA       GLU  83  10.900  -8.022 -10.609
  607    HB2  GLU  83           HB2      GLU  83   9.985  -5.368 -11.810
  608    HB3  GLU  83           HB3      GLU  83   9.500  -6.982 -12.326
  609    HG2  GLU  83           HG2      GLU  83   8.880  -5.628  -9.664
  610    HG3  GLU  83           HG3      GLU  83   7.747  -6.003 -10.958
  611    H    TYR  84           H        TYR  84  12.438  -5.036 -11.802
  612    HA   TYR  84           HA       TYR  84  14.018  -6.628 -13.787
  613    HB2  TYR  84           HB2      TYR  84  13.246  -3.718 -14.042
  614    HB3  TYR  84           HB3      TYR  84  13.832  -4.797 -15.304
  615    HD1  TYR  84           HD1      TYR  84  12.231  -7.105 -15.420
  616    HD2  TYR  84           HD2      TYR  84  11.012  -3.152 -14.215
  617    HE1  TYR  84           HE1      TYR  84   9.857  -7.711 -15.844
  618    HE2  TYR  84           HE2      TYR  84   8.645  -3.756 -14.612
  619    HH   TYR  84           HH       TYR  84   7.157  -5.409 -15.292
  620    H    GLN  85           H        GLN  85  16.028  -5.558 -14.551
  621    HA   GLN  85           HA       GLN  85  17.850  -5.110 -12.395
  622    HB2  GLN  85           HB2      GLN  85  18.057  -4.851 -15.427
  623    HB3  GLN  85           HB3      GLN  85  19.436  -4.572 -14.385
  624    HG2  GLN  85           HG2      GLN  85  17.851  -7.174 -14.451
  625    HG3  GLN  85           HG3      GLN  85  19.351  -6.889 -15.325
  626   HE21  GLN  85          HE22      GLN  85  18.103  -8.168 -12.415
  627   HE22  GLN  85          HE21      GLN  85  19.594  -8.097 -11.493
  628    HA   PRO  86           HA       PRO  86  17.842  -0.622 -12.096
  629    HB2  PRO  86           HB2      PRO  86  20.417   0.030 -11.497
  630    HB3  PRO  86           HB3      PRO  86  19.332  -0.823 -10.367
  631    HG2  PRO  86           HG2      PRO  86  21.408  -2.041 -12.216
  632    HG3  PRO  86           HG3      PRO  86  21.170  -2.346 -10.467
  633    HD2  PRO  86           HD2      PRO  86  20.139  -4.000 -12.349
  634    HD3  PRO  86           HD3      PRO  86  19.230  -3.629 -10.852
  635    H    ARG  87           H        ARG  87  17.179  -0.362 -14.268
  636    HA   ARG  87           HA       ARG  87  18.968  -0.079 -16.484
  637    HB2  ARG  87           HB2      ARG  87  16.083   0.578 -15.882
  638    HB3  ARG  87           HB3      ARG  87  16.822   1.359 -17.267
  639    HG2  ARG  87           HG2      ARG  87  15.717  -0.610 -18.015
  640    HG3  ARG  87           HG3      ARG  87  17.459  -0.795 -18.218
  641    HD2  ARG  87           HD2      ARG  87  17.397  -2.180 -16.048
  642    HD3  ARG  87           HD3      ARG  87  15.647  -2.236 -16.252
  643    HE   ARG  87           HE       ARG  87  17.734  -3.625 -17.750
  644   HH11  ARG  87          HH21      ARG  87  14.367  -2.528 -18.260
  645   HH12  ARG  87          HH22      ARG  87  14.067  -3.823 -19.380
  646   HH21  ARG  87          HH11      ARG  87  17.236  -5.210 -19.209
  647   HH22  ARG  87          HH12      ARG  87  15.663  -5.274 -19.935
  648    HA   PRO  88           HA       PRO  88  20.659   3.978 -15.799
  649    HB2  PRO  88           HB2      PRO  88  21.214   4.872 -18.312
  650    HB3  PRO  88           HB3      PRO  88  22.099   3.533 -17.524
  651    HG2  PRO  88           HG2      PRO  88  19.805   3.337 -19.486
  652    HG3  PRO  88           HG3      PRO  88  21.361   2.449 -19.511
  653    HD2  PRO  88           HD2      PRO  88  19.055   1.392 -18.524
  654    HD3  PRO  88           HD3      PRO  88  20.645   1.010 -17.786
  655    H    VAL  89           H        VAL  89  19.417   5.548 -15.000
  656    HA   VAL  89           HA       VAL  89  16.785   5.954 -15.690
  657    HB   VAL  89           HB       VAL  89  17.831   6.550 -13.551
  658   HG11  VAL  89          HG11      VAL  89  18.799   8.743 -13.143
  659   HG12  VAL  89          HG12      VAL  89  19.765   7.895 -14.360
  660   HG13  VAL  89          HG13      VAL  89  18.641   9.189 -14.847
  661   HG21  VAL  89          HG21      VAL  89  16.146   8.816 -14.684
  662   HG22  VAL  89          HG22      VAL  89  15.521   7.232 -14.178
  663   HG23  VAL  89          HG23      VAL  89  16.296   8.300 -12.996
  664    H    GLU  90           H        GLU  90  19.491   7.783 -17.075
  665    HA   GLU  90           HA       GLU  90  17.976   9.782 -18.376
  666    HB2  GLU  90           HB2      GLU  90  19.861  10.053 -19.862
  667    HB3  GLU  90           HB3      GLU  90  20.394   9.840 -18.195
  668    HG2  GLU  90           HG2      GLU  90  20.959   7.443 -18.744
  669    HG3  GLU  90           HG3      GLU  90  20.532   7.774 -20.428
  670    H    VAL  91           H        VAL  91  18.549   6.414 -19.341
  671    HA   VAL  91           HA       VAL  91  17.268   6.763 -21.925
  672    HB   VAL  91           HB       VAL  91  17.831   4.119 -20.563
  673   HG11  VAL  91          HG11      VAL  91  16.300   3.881 -22.472
  674   HG12  VAL  91          HG12      VAL  91  17.379   4.863 -23.491
  675   HG13  VAL  91          HG13      VAL  91  17.890   3.265 -22.915
  676   HG21  VAL  91          HG21      VAL  91  19.902   4.053 -21.938
  677   HG22  VAL  91          HG22      VAL  91  19.606   5.728 -22.455
  678   HG23  VAL  91          HG23      VAL  91  19.954   5.353 -20.755
  679    H    ILE  92           H        ILE  92  16.158   5.713 -18.686
  680    HA   ILE  92           HA       ILE  92  13.488   4.918 -19.520
  681    HB   ILE  92           HB       ILE  92  14.318   6.122 -16.838
  682   HG12  ILE  92          HG12      ILE  92  14.374   3.180 -17.670
  683   HG13  ILE  92          HG13      ILE  92  15.795   4.191 -17.422
  684   HG21  ILE  92          HG21      ILE  92  12.372   4.961 -15.942
  685   HG22  ILE  92          HG22      ILE  92  11.836   5.917 -17.312
  686   HG23  ILE  92          HG23      ILE  92  12.071   4.162 -17.498
  687   HD11  ILE  92          HD11      ILE  92  13.822   3.332 -15.295
  688   HD12  ILE  92          HD12      ILE  92  15.541   2.930 -15.444
  689   HD13  ILE  92          HD13      ILE  92  15.056   4.592 -15.049
  690    H    ILE  93           H        ILE  93  14.765   8.071 -18.360
  691    HA   ILE  93           HA       ILE  93  12.344   9.523 -18.889
  692    HB   ILE  93           HB       ILE  93  15.238  10.362 -18.511
  693   HG12  ILE  93          HG12      ILE  93  12.752  10.782 -16.773
  694   HG13  ILE  93          HG13      ILE  93  13.813   9.382 -16.592
  695   HG21  ILE  93          HG21      ILE  93  14.383  12.723 -18.268
  696   HG22  ILE  93          HG22      ILE  93  14.232  12.113 -19.904
  697   HG23  ILE  93          HG23      ILE  93  12.797  12.177 -18.855
  698   HD11  ILE  93          HD11      ILE  93  14.342  11.003 -14.902
  699   HD12  ILE  93          HD12      ILE  93  15.711  10.882 -16.026
  700   HD13  ILE  93          HD13      ILE  93  14.605  12.276 -16.096
  701    H    SER  94           H        SER  94  15.180   8.898 -20.974
  702    HA   SER  94           HA       SER  94  14.217  10.448 -23.170
  703    HB2  SER  94           HB2      SER  94  15.930   7.937 -23.258
  704    HB3  SER  94           HB3      SER  94  15.686   9.072 -24.592
  705    HG   SER  94           HG       SER  94  16.978   9.541 -22.094
  706    H    SER  95           H        SER  95  13.563   7.089 -22.238
  707    HA   SER  95           HA       SER  95  11.858   6.417 -24.450
  708    HB2  SER  95           HB2      SER  95  12.117   5.377 -21.611
  709    HB3  SER  95           HB3      SER  95  10.944   4.716 -22.771
  710    HG   SER  95           HG       SER  95  13.798   4.764 -23.025
  711    H    ALA  96           H        ALA  96  11.118   7.839 -21.197
  712    HA   ALA  96           HA       ALA  96   8.332   8.094 -21.554
  713    HB1  ALA  96           HB1      ALA  96   8.510   9.618 -19.690
  714    HB2  ALA  96           HB2      ALA  96   9.770   8.403 -19.459
  715    HB3  ALA  96           HB3      ALA  96  10.200  10.005 -20.072
  716    H    LYS  97           H        LYS  97  10.960  10.427 -22.373
  717    HA   LYS  97           HA       LYS  97   9.304  12.430 -23.541
  718    HB2  LYS  97           HB2      LYS  97  12.226  11.673 -23.854
  719    HB3  LYS  97           HB3      LYS  97  11.526  13.080 -24.654
  720    HG2  LYS  97           HG2      LYS  97  10.937  14.120 -22.555
  721    HG3  LYS  97           HG3      LYS  97  11.400  12.680 -21.629
  722    HD2  LYS  97           HD2      LYS  97  13.719  12.905 -22.290
  723    HD3  LYS  97           HD3      LYS  97  13.331  14.239 -23.400
  724    HE2  LYS  97           HE2      LYS  97  12.533  15.602 -21.449
  725    HE3  LYS  97           HE3      LYS  97  13.022  14.304 -20.356
  726    HZ1  LYS  97           HZ1      LYS  97  14.856  15.828 -22.149
  727    HZ2  LYS  97           HZ2      LYS  97  14.744  16.023 -20.537
  728    HZ3  LYS  97           HZ3      LYS  97  15.333  14.628 -21.151
  729    H    GLU  98           H        GLU  98  10.956   9.672 -25.089
  730    HA   GLU  98           HA       GLU  98  10.053  10.243 -27.735
  731    HB2  GLU  98           HB2      GLU  98  11.017   7.702 -26.390
  732    HB3  GLU  98           HB3      GLU  98  10.495   7.714 -28.069
  733    HG2  GLU  98           HG2      GLU  98  12.701   9.517 -27.001
  734    HG3  GLU  98           HG3      GLU  98  12.971   7.952 -27.759
  735    H    MET  99           H        MET  99   8.520   8.411 -25.089
  736    HA   MET  99           HA       MET  99   6.291   7.557 -26.669
  737    HB2  MET  99           HB2      MET  99   6.734   7.713 -23.685
  738    HB3  MET  99           HB3      MET  99   5.247   7.110 -24.435
  739    HG2  MET  99           HG2      MET  99   7.980   6.010 -25.174
  740    HG3  MET  99           HG3      MET  99   7.060   5.355 -23.845
  741    HE1  MET  99           HE1      MET  99   4.114   4.935 -24.602
  742    HE2  MET  99           HE2      MET  99   4.272   3.328 -25.335
  743    HE3  MET  99           HE3      MET  99   5.268   3.755 -23.924
  744    H    VAL 100           H        VAL 100   6.726  10.418 -24.547
  745    HA   VAL 100           HA       VAL 100   4.186  11.557 -24.731
  746    HB   VAL 100           HB       VAL 100   6.837  13.017 -24.879
  747   HG11  VAL 100          HG11      VAL 100   4.045  14.196 -24.494
  748   HG12  VAL 100          HG12      VAL 100   5.562  15.058 -24.177
  749   HG13  VAL 100          HG13      VAL 100   5.167  14.558 -25.826
  750   HG21  VAL 100          HG21      VAL 100   6.424  13.501 -22.552
  751   HG22  VAL 100          HG22      VAL 100   4.808  12.776 -22.625
  752   HG23  VAL 100          HG23      VAL 100   6.245  11.756 -22.770
  753    H    GLY 101           H        GLY 101   2.868  12.247 -26.157
  754    HA2  GLY 101           HA2      GLY 101   2.138  13.349 -28.125
  755    HA3  GLY 101           HA3      GLY 101   3.691  12.993 -28.926
  756    H    GLN 102           H        GLN 102   3.164  10.056 -27.656
  757    HA   GLN 102           HA       GLN 102   1.820   9.082 -30.031
  758    HB2  GLN 102           HB2      GLN 102   3.072   7.560 -27.715
  759    HB3  GLN 102           HB3      GLN 102   2.408   6.849 -29.181
  760    HG2  GLN 102           HG2      GLN 102   4.068   8.180 -30.549
  761    HG3  GLN 102           HG3      GLN 102   4.793   8.753 -29.056
  762   HE21  GLN 102          HE22      GLN 102   6.806   7.696 -28.909
  763   HE22  GLN 102          HE21      GLN 102   6.976   5.962 -29.150
  764    H    LYS 103           H        LYS 103  -0.052   7.936 -30.114
  765    HA   LYS 103           HA       LYS 103  -2.010   8.357 -27.928
  766    HB2  LYS 103           HB2      LYS 103  -2.241   7.892 -30.910
  767    HB3  LYS 103           HB3      LYS 103  -3.615   7.648 -29.828
  768    HG2  LYS 103           HG2      LYS 103  -3.414   9.948 -28.968
  769    HG3  LYS 103           HG3      LYS 103  -2.059  10.254 -30.078
  770    HD2  LYS 103           HD2      LYS 103  -3.488   9.976 -32.020
  771    HD3  LYS 103           HD3      LYS 103  -4.789   9.294 -31.036
  772    HE2  LYS 103           HE2      LYS 103  -5.454  11.500 -31.554
  773    HE3  LYS 103           HE3      LYS 103  -5.031  11.456 -29.836
  774    HZ1  LYS 103           HZ1      LYS 103  -2.988  12.592 -30.304
  775    HZ2  LYS 103           HZ2      LYS 103  -3.169  12.440 -31.945
  776    HZ3  LYS 103           HZ3      LYS 103  -4.154  13.418 -31.089
  777    H    MET 104           H        MET 104  -3.569   6.741 -27.436
  778    HA   MET 104           HA       MET 104  -3.044   3.914 -28.140
  779    HB2  MET 104           HB2      MET 104  -3.309   4.834 -25.245
  780    HB3  MET 104           HB3      MET 104  -3.264   3.160 -25.796
  781    HG2  MET 104           HG2      MET 104  -0.973   3.562 -26.709
  782    HG3  MET 104           HG3      MET 104  -1.035   5.212 -26.087
  783    HE1  MET 104           HE1      MET 104   1.607   3.801 -23.723
  784    HE2  MET 104           HE2      MET 104   1.407   3.542 -25.467
  785    HE3  MET 104           HE3      MET 104   1.120   5.154 -24.768
  786    H    LYS 105           H        LYS 105  -4.921   2.524 -27.445
  787    HA   LYS 105           HA       LYS 105  -7.195   3.570 -28.817
  788    HB2  LYS 105           HB2      LYS 105  -6.810   0.943 -27.321
  789    HB3  LYS 105           HB3      LYS 105  -8.114   1.285 -28.465
  790    HG2  LYS 105           HG2      LYS 105  -6.462   1.662 -30.269
  791    HG3  LYS 105           HG3      LYS 105  -5.150   1.219 -29.160
  792    HD2  LYS 105           HD2      LYS 105  -6.236  -0.998 -28.785
  793    HD3  LYS 105           HD3      LYS 105  -7.481  -0.591 -29.970
  794    HE2  LYS 105           HE2      LYS 105  -4.479  -0.737 -30.547
  795    HE3  LYS 105           HE3      LYS 105  -5.614  -2.058 -30.826
  796    HZ1  LYS 105           HZ1      LYS 105  -6.795  -0.621 -32.417
  797    HZ2  LYS 105           HZ2      LYS 105  -5.700   0.582 -32.201
  798    HZ3  LYS 105           HZ3      LYS 105  -5.240  -0.837 -32.860
  799    H    TYR 106           H        TYR 106  -9.435   2.589 -27.933
  800    HA   TYR 106           HA       TYR 106 -10.479   4.662 -26.267
  801    HB2  TYR 106           HB2      TYR 106 -11.896   2.083 -26.993
  802    HB3  TYR 106           HB3      TYR 106 -12.601   3.664 -26.727
  803    HD1  TYR 106           HD1      TYR 106 -11.735   5.572 -28.405
  804    HD2  TYR 106           HD2      TYR 106 -11.693   1.335 -29.199
  805    HE1  TYR 106           HE1      TYR 106 -11.676   6.024 -30.858
  806    HE2  TYR 106           HE2      TYR 106 -11.655   1.785 -31.640
  807    HH   TYR 106           HH       TYR 106 -11.640   3.407 -33.301
  808    H    SER 107           H        SER 107 -12.371   3.761 -24.654
  809    HA   SER 107           HA       SER 107 -11.650   3.160 -22.105
  810    HB2  SER 107           HB2      SER 107 -13.853   1.938 -21.961
  811    HB3  SER 107           HB3      SER 107 -13.944   3.517 -22.754
  812    HG   SER 107           HG       SER 107 -15.041   1.690 -23.895
  813    H    ILE 108           H        ILE 108 -12.085   0.602 -24.565
  814    HA   ILE 108           HA       ILE 108 -11.637  -1.643 -22.972
  815    HB   ILE 108           HB       ILE 108 -10.992  -2.826 -25.094
  816   HG12  ILE 108          HG12      ILE 108 -11.363  -1.771 -27.241
  817   HG13  ILE 108          HG13      ILE 108 -11.591  -0.189 -26.503
  818   HG21  ILE 108          HG21      ILE 108 -13.291  -2.642 -24.241
  819   HG22  ILE 108          HG22      ILE 108 -13.523  -1.136 -25.160
  820   HG23  ILE 108          HG23      ILE 108 -13.246  -2.669 -26.007
  821   HD11  ILE 108          HD11      ILE 108  -8.984  -1.765 -26.338
  822   HD12  ILE 108          HD12      ILE 108  -9.361  -0.583 -27.605
  823   HD13  ILE 108          HD13      ILE 108  -9.249  -0.046 -25.926
  824    H    VAL 109           H        VAL 109  -9.131   0.608 -23.576
  825    HA   VAL 109           HA       VAL 109  -6.944  -1.270 -23.177
  826    HB   VAL 109           HB       VAL 109  -5.531   0.574 -22.546
  827   HG11  VAL 109          HG11      VAL 109  -5.606   1.863 -24.605
  828   HG12  VAL 109          HG12      VAL 109  -5.940   0.152 -24.931
  829   HG13  VAL 109          HG13      VAL 109  -7.265   1.333 -24.921
  830   HG21  VAL 109          HG21      VAL 109  -8.027   2.306 -22.504
  831   HG22  VAL 109          HG22      VAL 109  -6.923   1.963 -21.167
  832   HG23  VAL 109          HG23      VAL 109  -6.360   2.927 -22.531
  833    H    SER 110           H        SER 110  -9.347   0.031 -20.992
  834    HA   SER 110           HA       SER 110  -9.728  -0.194 -18.751
  835    HB2  SER 110           HB2      SER 110  -9.596  -2.575 -19.544
  836    HB3  SER 110           HB3      SER 110  -7.933  -2.636 -18.938
  837    HG   SER 110           HG       SER 110  -9.615  -3.394 -17.430
  838    H    ARG 111           H        ARG 111  -7.711  -1.428 -16.813
  839    HA   ARG 111           HA       ARG 111  -6.196   0.906 -16.002
  840    HB2  ARG 111           HB2      ARG 111  -6.103  -2.052 -15.295
  841    HB3  ARG 111           HB3      ARG 111  -4.863  -0.934 -14.752
  842    HG2  ARG 111           HG2      ARG 111  -6.714   0.543 -13.786
  843    HG3  ARG 111           HG3      ARG 111  -7.848  -0.768 -14.154
  844    HD2  ARG 111           HD2      ARG 111  -7.140  -0.868 -11.814
  845    HD3  ARG 111           HD3      ARG 111  -6.533  -2.288 -12.684
  846    HE   ARG 111           HE       ARG 111  -4.509  -0.332 -12.857
  847   HH11  ARG 111          HH21      ARG 111  -5.944  -2.180 -10.177
  848   HH12  ARG 111          HH22      ARG 111  -4.453  -2.145  -9.285
  849   HH21  ARG 111          HH11      ARG 111  -2.777  -0.306 -11.769
  850   HH22  ARG 111          HH12      ARG 111  -2.609  -1.050 -10.177
  851    H    ASN 112           H        ASN 112  -4.706   1.799 -17.214
  852    HA   ASN 112           HA       ASN 112  -2.675   0.083 -18.561
  853    HB2  ASN 112           HB2      ASN 112  -4.738   0.734 -19.978
  854    HB3  ASN 112           HB3      ASN 112  -4.080   2.367 -19.980
  855   HD21  ASN 112          HD22      ASN 112  -3.246  -1.083 -20.733
  856   HD22  ASN 112          HD21      ASN 112  -2.155  -0.673 -22.044
  857    H    CYS 113           H        CYS 113  -3.130   3.098 -16.806
  858    HA   CYS 113           HA       CYS 113  -0.815   4.432 -17.926
  859    HB2  CYS 113           HB2      CYS 113  -1.118   5.988 -15.996
  860    HB3  CYS 113           HB3      CYS 113  -2.605   5.705 -16.904
  861    HG   CYS 113           HG       CYS 113  -3.520   5.754 -14.655
  862    H    GLU 114           H        GLU 114  -1.208   2.237 -15.165
  863    HA   GLU 114           HA       GLU 114   1.559   2.397 -14.291
  864    HB2  GLU 114           HB2      GLU 114   1.177   0.592 -12.890
  865    HB3  GLU 114           HB3      GLU 114  -0.237   1.621 -12.805
  866    HG2  GLU 114           HG2      GLU 114  -0.040  -1.026 -14.309
  867    HG3  GLU 114           HG3      GLU 114  -0.780  -0.780 -12.740
  868    H    HIS 115           H        HIS 115  -0.240   0.187 -16.494
  869    HA   HIS 115           HA       HIS 115   2.035  -1.399 -17.241
  870    HB2  HIS 115           HB2      HIS 115  -0.467  -0.656 -18.825
  871    HB3  HIS 115           HB3      HIS 115   0.707  -1.858 -19.332
  872    HD1  HIS 115           HD1      HIS 115  -1.930  -1.374 -16.529
  873    HD2  HIS 115           HD2      HIS 115   0.594  -4.265 -18.262
  874    HE1  HIS 115           HE1      HIS 115  -2.648  -3.619 -15.579
  875    H    PHE 116           H        PHE 116   0.854   1.687 -18.654
  876    HA   PHE 116           HA       PHE 116   2.862   1.987 -20.629
  877    HB2  PHE 116           HB2      PHE 116   1.035   3.440 -20.793
  878    HB3  PHE 116           HB3      PHE 116   1.076   3.879 -19.099
  879    HD1  PHE 116           HD1      PHE 116   3.313   4.057 -22.117
  880    HD2  PHE 116           HD2      PHE 116   1.949   5.980 -18.504
  881    HE1  PHE 116           HE1      PHE 116   4.786   5.982 -22.577
  882    HE2  PHE 116           HE2      PHE 116   3.468   7.892 -18.954
  883    HZ   PHE 116           HZ       PHE 116   4.908   7.885 -20.980
  884    H    VAL 117           H        VAL 117   2.890   3.430 -17.262
  885    HA   VAL 117           HA       VAL 117   5.619   4.243 -17.677
  886    HB   VAL 117           HB       VAL 117   5.829   4.801 -15.346
  887   HG11  VAL 117          HG11      VAL 117   3.147   5.685 -16.469
  888   HG12  VAL 117          HG12      VAL 117   4.145   6.533 -15.282
  889   HG13  VAL 117          HG13      VAL 117   4.730   6.347 -16.942
  890   HG21  VAL 117          HG21      VAL 117   4.488   2.931 -14.333
  891   HG22  VAL 117          HG22      VAL 117   4.064   4.542 -13.727
  892   HG23  VAL 117          HG23      VAL 117   3.023   3.754 -14.907
  893    H    THR 118           H        THR 118   4.390   1.160 -16.636
  894    HA   THR 118           HA       THR 118   6.820  -0.018 -15.673
  895    HB   THR 118           HB       THR 118   4.476  -1.208 -17.027
  896    HG1  THR 118           HG1      THR 118   3.931  -0.379 -15.078
  897   HG21  THR 118          HG21      THR 118   6.294  -2.816 -17.267
  898   HG22  THR 118          HG22      THR 118   6.738  -2.605 -15.559
  899   HG23  THR 118          HG23      THR 118   5.194  -3.363 -15.993
  900    H    GLN 119           H        GLN 119   5.436   0.113 -18.945
  901    HA   GLN 119           HA       GLN 119   7.531  -1.321 -20.207
  902    HB2  GLN 119           HB2      GLN 119   5.454   0.647 -21.203
  903    HB3  GLN 119           HB3      GLN 119   6.626  -0.089 -22.297
  904    HG2  GLN 119           HG2      GLN 119   5.871  -2.317 -21.841
  905    HG3  GLN 119           HG3      GLN 119   4.892  -1.798 -20.467
  906   HE21  GLN 119          HE22      GLN 119   2.962  -0.498 -20.885
  907   HE22  GLN 119          HE21      GLN 119   2.162  -0.625 -22.464
  908    H    LEU 120           H        LEU 120   7.454   2.065 -19.229
  909    HA   LEU 120           HA       LEU 120   9.615   2.973 -20.889
  910    HB2  LEU 120           HB2      LEU 120   8.820   3.942 -18.102
  911    HB3  LEU 120           HB3      LEU 120   9.796   4.825 -19.271
  912    HG   LEU 120           HG       LEU 120   6.855   4.098 -19.601
  913   HD11  LEU 120          HD11      LEU 120   7.320   5.845 -17.917
  914   HD12  LEU 120          HD12      LEU 120   8.194   6.781 -19.147
  915   HD13  LEU 120          HD13      LEU 120   6.456   6.487 -19.321
  916   HD21  LEU 120          HD21      LEU 120   6.968   5.657 -21.577
  917   HD22  LEU 120          HD22      LEU 120   8.738   5.608 -21.455
  918   HD23  LEU 120          HD23      LEU 120   7.818   4.128 -21.815
  919    H    ARG 121           H        ARG 121   9.688   1.267 -17.763
  920    HA   ARG 121           HA       ARG 121  12.682   1.313 -17.775
  921    HB2  ARG 121           HB2      ARG 121  11.542   1.836 -15.667
  922    HB3  ARG 121           HB3      ARG 121  10.720   0.265 -15.681
  923    HG2  ARG 121           HG2      ARG 121  12.867  -0.907 -15.492
  924    HG3  ARG 121           HG3      ARG 121  13.760   0.604 -15.694
  925    HD2  ARG 121           HD2      ARG 121  12.960   1.424 -13.546
  926    HD3  ARG 121           HD3      ARG 121  11.875   0.028 -13.362
  927    HE   ARG 121           HE       ARG 121  14.363  -1.139 -13.665
  928   HH11  ARG 121          HH11      ARG 121  13.142   1.245 -11.302
  929   HH12  ARG 121          HH12      ARG 121  14.249   0.674 -10.087
  930   HH21  ARG 121          HH22      ARG 121  15.679  -1.803 -12.006
  931   HH22  ARG 121          HH21      ARG 121  15.587  -1.018 -10.434
  932    H    TYR 122           H        TYR 122   9.959  -1.034 -17.998
  933    HA   TYR 122           HA       TYR 122  11.601  -3.379 -18.069
  934    HB2  TYR 122           HB2      TYR 122   9.260  -3.452 -17.487
  935    HB3  TYR 122           HB3      TYR 122   8.791  -2.771 -19.028
  936    HD1  TYR 122           HD2      TYR 122  10.991  -5.679 -18.013
  937    HD2  TYR 122           HD1      TYR 122   7.639  -4.295 -20.350
  938    HE1  TYR 122           HE2      TYR 122  10.718  -7.958 -18.954
  939    HE2  TYR 122           HE1      TYR 122   7.362  -6.571 -21.301
  940    HH   TYR 122           HH       TYR 122   9.497  -9.312 -20.377
  941    H    GLY 123           H        GLY 123  10.249  -1.395 -20.724
  942    HA2  GLY 123           HA2      GLY 123  11.589  -3.010 -22.828
  943    HA3  GLY 123           HA3      GLY 123  10.350  -1.752 -23.042
  944    H    LYS 124           H        LYS 124  13.228  -1.266 -21.035
  945    HA   LYS 124           HA       LYS 124  13.998   1.169 -22.206
  946    HB2  LYS 124           HB2      LYS 124  14.599   0.386 -19.983
  947    HB3  LYS 124           HB3      LYS 124  15.576  -0.922 -20.625
  948    HG2  LYS 124           HG2      LYS 124  16.162   2.041 -21.027
  949    HG3  LYS 124           HG3      LYS 124  16.752   1.120 -19.671
  950    HD2  LYS 124           HD2      LYS 124  17.560   0.744 -22.577
  951    HD3  LYS 124           HD3      LYS 124  18.525   1.383 -21.267
  952    HE2  LYS 124           HE2      LYS 124  18.559  -0.816 -20.136
  953    HE3  LYS 124           HE3      LYS 124  17.490  -1.498 -21.372
  954    HZ1  LYS 124           HZ1      LYS 124  19.808  -2.040 -21.810
  955    HZ2  LYS 124           HZ2      LYS 124  19.217  -1.145 -23.023
  956    HZ3  LYS 124           HZ3      LYS 124  20.231  -0.459 -21.923
  957    H    SER 125           H        SER 125  15.279  -2.062 -22.897
  958    HA   SER 125           HA       SER 125  17.248  -1.260 -24.820
  959    HB2  SER 125           HB2      SER 125  16.026  -3.993 -24.311
  960    HB3  SER 125           HB3      SER 125  17.506  -3.659 -25.238
  961    HG   SER 125           HG       SER 125  17.954  -4.209 -23.009
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   2.368  24.869   8.527
    2    H2   MET   1           H2       MET   1   3.560  24.419   9.549
    3    H3   MET   1           H3       MET   1   3.934  25.005   8.071
    4    HA   MET   1           HA       MET   1   2.524  22.470   8.623
    5    HB2  MET   1           HB2      MET   1   1.773  23.567   6.516
    6    HB3  MET   1           HB3      MET   1   3.436  23.590   5.926
    7    HG2  MET   1           HG2      MET   1   2.144  21.777   4.939
    8    HG3  MET   1           HG3      MET   1   3.494  21.148   5.868
    9    HE1  MET   1           HE1      MET   1   0.838  18.308   6.224
   10    HE2  MET   1           HE2      MET   1   1.158  19.326   4.805
   11    HE3  MET   1           HE3      MET   1   2.512  18.716   5.788
   12    H    ALA   2           H        ALA   2   3.764  20.561   8.578
   13    HA   ALA   2           HA       ALA   2   6.590  20.833   9.194
   14    HB1  ALA   2           HB1      ALA   2   5.074  19.229  10.329
   15    HB2  ALA   2           HB2      ALA   2   4.833  18.367   8.792
   16    HB3  ALA   2           HB3      ALA   2   6.435  18.402   9.554
   17    H    SER   3           H        SER   3   8.276  19.471   8.173
   18    HA   SER   3           HA       SER   3   8.563  19.970   5.382
   19    HB2  SER   3           HB2      SER   3  10.100  18.049   7.173
   20    HB3  SER   3           HB3      SER   3  10.624  18.631   5.583
   21    HG   SER   3           HG       SER   3  11.565  19.869   7.309
   22    HA   PRO   4           HA       PRO   4   6.571  16.452   3.530
   23    HB2  PRO   4           HB2      PRO   4   8.008  16.073   1.212
   24    HB3  PRO   4           HB3      PRO   4   6.862  17.423   1.473
   25    HG2  PRO   4           HG2      PRO   4   9.877  17.437   1.818
   26    HG3  PRO   4           HG3      PRO   4   8.859  18.631   0.950
   27    HD2  PRO   4           HD2      PRO   4   9.701  19.067   3.489
   28    HD3  PRO   4           HD3      PRO   4   8.051  19.548   2.981
   29    H    HIS   5           H        HIS   5   6.670  14.293   3.884
   30    HA   HIS   5           HA       HIS   5   9.125  13.191   5.076
   31    HB2  HIS   5           HB2      HIS   5   6.308  12.098   4.678
   32    HB3  HIS   5           HB3      HIS   5   7.599  11.235   5.500
   33    HD1  HIS   5           HD1      HIS   5   7.276  14.981   6.358
   34    HD2  HIS   5           HD2      HIS   5   6.151  11.164   7.742
   35    HE1  HIS   5           HE1      HIS   5   6.467  15.302   8.734
   36    H    GLN   6           H        GLN   6   8.042  13.340   1.898
   37    HA   GLN   6           HA       GLN   6   9.990  11.395   0.944
   38    HB2  GLN   6           HB2      GLN   6   7.994   9.969   1.386
   39    HB3  GLN   6           HB3      GLN   6   7.007  11.025   0.372
   40    HG2  GLN   6           HG2      GLN   6   8.401  10.425  -1.606
   41    HG3  GLN   6           HG3      GLN   6   9.397   9.380  -0.584
   42   HE21  GLN   6          HE22      GLN   6   8.221   7.456   0.474
   43   HE22  GLN   6          HE21      GLN   6   6.851   6.801  -0.407
   44    H    GLU   7           H        GLU   7  10.777  12.072  -1.058
   45    HA   GLU   7           HA       GLU   7   9.210  14.027  -2.644
   46    HB2  GLU   7           HB2      GLU   7  12.138  14.332  -1.869
   47    HB3  GLU   7           HB3      GLU   7  11.310  15.288  -3.101
   48    HG2  GLU   7           HG2      GLU   7   9.711  16.113  -1.371
   49    HG3  GLU   7           HG3      GLU   7  10.626  15.236  -0.135
   50    HA   PRO   8           HA       PRO   8  10.530  11.132  -5.775
   51    HB2  PRO   8           HB2      PRO   8   9.534  12.271  -8.021
   52    HB3  PRO   8           HB3      PRO   8   8.474  11.651  -6.722
   53    HG2  PRO   8           HG2      PRO   8   9.403  14.515  -7.138
   54    HG3  PRO   8           HG3      PRO   8   7.725  13.924  -6.889
   55    HD2  PRO   8           HD2      PRO   8   9.258  14.897  -4.848
   56    HD3  PRO   8           HD3      PRO   8   8.109  13.544  -4.601
   57    H    LYS   9           H        LYS   9  12.025  10.751  -7.348
   58    HA   LYS   9           HA       LYS   9  13.809  12.953  -8.257
   59    HB2  LYS   9           HB2      LYS   9  14.460  10.206  -7.100
   60    HB3  LYS   9           HB3      LYS   9  15.648  11.089  -8.031
   61    HG2  LYS   9           HG2      LYS   9  14.341  12.102  -5.470
   62    HG3  LYS   9           HG3      LYS   9  15.939  11.364  -5.603
   63    HD2  LYS   9           HD2      LYS   9  16.639  13.214  -7.166
   64    HD3  LYS   9           HD3      LYS   9  15.078  14.012  -6.876
   65    HE2  LYS   9           HE2      LYS   9  15.545  14.084  -4.440
   66    HE3  LYS   9           HE3      LYS   9  17.098  13.281  -4.702
   67    HZ1  LYS   9           HZ1      LYS   9  17.364  15.685  -4.519
   68    HZ2  LYS   9           HZ2      LYS   9  17.806  15.211  -6.015
   69    HZ3  LYS   9           HZ3      LYS   9  16.365  15.956  -5.785
   70    HA   PRO  10           HA       PRO  10  13.662  11.806 -12.456
   71    HB2  PRO  10           HB2      PRO  10  16.599  11.079 -12.203
   72    HB3  PRO  10           HB3      PRO  10  15.776  11.942 -13.543
   73    HG2  PRO  10           HG2      PRO  10  17.051  13.385 -11.691
   74    HG3  PRO  10           HG3      PRO  10  15.392  13.871 -12.170
   75    HD2  PRO  10           HD2      PRO  10  16.287  12.318  -9.739
   76    HD3  PRO  10           HD3      PRO  10  15.091  13.644  -9.853
   77    H    GLY  11           H        GLY  11  12.727  10.073 -13.361
   78    HA2  GLY  11           HA2      GLY  11  12.615   7.927 -14.275
   79    HA3  GLY  11           HA3      GLY  11  13.923   7.369 -13.207
   80    H    ASP  12           H        ASP  12  11.876   8.885 -11.103
   81    HA   ASP  12           HA       ASP  12  11.009   6.419 -10.008
   82    HB2  ASP  12           HB2      ASP  12  10.315   9.300  -9.358
   83    HB3  ASP  12           HB3      ASP  12   9.616   7.947  -8.491
   84    H    LEU  13           H        LEU  13   9.105   5.433  -9.756
   85    HA   LEU  13           HA       LEU  13   6.853   6.086 -11.590
   86    HB2  LEU  13           HB2      LEU  13   7.336   3.754  -9.660
   87    HB3  LEU  13           HB3      LEU  13   5.892   3.975 -10.629
   88    HG   LEU  13           HG       LEU  13   7.026   2.362 -11.776
   89   HD11  LEU  13          HD11      LEU  13   8.017   4.851 -13.190
   90   HD12  LEU  13          HD12      LEU  13   7.605   3.285 -13.911
   91   HD13  LEU  13          HD13      LEU  13   6.333   4.303 -13.193
   92   HD21  LEU  13          HD21      LEU  13   9.384   2.305 -12.359
   93   HD22  LEU  13          HD22      LEU  13   9.667   3.853 -11.537
   94   HD23  LEU  13          HD23      LEU  13   9.172   2.419 -10.609
   95    H    ILE  14           H        ILE  14   5.110   7.211 -10.886
   96    HA   ILE  14           HA       ILE  14   4.730   7.548  -7.920
   97    HB   ILE  14           HB       ILE  14   4.216   9.534 -10.169
   98   HG12  ILE  14          HG12      ILE  14   6.169   9.509  -7.819
   99   HG13  ILE  14          HG13      ILE  14   6.581   9.404  -9.531
  100   HG21  ILE  14          HG21      ILE  14   2.404   9.639  -8.443
  101   HG22  ILE  14          HG22      ILE  14   3.641   9.860  -7.188
  102   HG23  ILE  14          HG23      ILE  14   3.382  11.082  -8.458
  103   HD11  ILE  14          HD11      ILE  14   7.079  11.626  -8.772
  104   HD12  ILE  14          HD12      ILE  14   5.680  11.729  -9.862
  105   HD13  ILE  14          HD13      ILE  14   5.468  11.845  -8.092
  106    H    GLU  15           H        GLU  15   2.890   6.895  -7.114
  107    HA   GLU  15           HA       GLU  15   0.605   6.047  -8.837
  108    HB2  GLU  15           HB2      GLU  15   1.233   5.714  -5.865
  109    HB3  GLU  15           HB3      GLU  15  -0.325   5.302  -6.595
  110    HG2  GLU  15           HG2      GLU  15   0.735   3.649  -8.045
  111    HG3  GLU  15           HG3      GLU  15   2.328   4.040  -7.377
  112    H    ILE  16           H        ILE  16  -1.173   7.329  -8.941
  113    HA   ILE  16           HA       ILE  16  -1.418   9.684  -7.088
  114    HB   ILE  16           HB       ILE  16  -2.230   9.497 -10.016
  115   HG12  ILE  16          HG12      ILE  16   0.084  11.080  -8.810
  116   HG13  ILE  16          HG13      ILE  16   0.272   9.573  -9.703
  117   HG21  ILE  16          HG21      ILE  16  -2.255  11.833  -8.040
  118   HG22  ILE  16          HG22      ILE  16  -2.721  11.928  -9.755
  119   HG23  ILE  16          HG23      ILE  16  -3.682  10.971  -8.642
  120   HD11  ILE  16          HD11      ILE  16  -0.808  12.148 -10.885
  121   HD12  ILE  16          HD12      ILE  16   0.778  11.416 -11.162
  122   HD13  ILE  16          HD13      ILE  16  -0.686  10.589 -11.731
  123    H    PHE  17           H        PHE  17  -3.150   9.588  -5.851
  124    HA   PHE  17           HA       PHE  17  -5.128   7.440  -6.280
  125    HB2  PHE  17           HB2      PHE  17  -4.607   9.221  -3.874
  126    HB3  PHE  17           HB3      PHE  17  -5.655   7.808  -3.917
  127    HD1  PHE  17           HD2      PHE  17  -4.573   5.539  -4.650
  128    HD2  PHE  17           HD1      PHE  17  -2.314   8.944  -3.279
  129    HE1  PHE  17           HE2      PHE  17  -2.613   4.074  -4.238
  130    HE2  PHE  17           HE1      PHE  17  -0.366   7.478  -2.842
  131    HZ   PHE  17           HZ       PHE  17  -0.505   5.038  -3.349
  132    H    ARG  18           H        ARG  18  -5.746   8.941  -8.177
  133    HA   ARG  18           HA       ARG  18  -7.557  11.139  -7.648
  134    HB2  ARG  18           HB2      ARG  18  -6.287  10.850  -9.742
  135    HB3  ARG  18           HB3      ARG  18  -7.169   9.368 -10.107
  136    HG2  ARG  18           HG2      ARG  18  -9.213  10.562 -10.510
  137    HG3  ARG  18           HG3      ARG  18  -8.574  12.047  -9.787
  138    HD2  ARG  18           HD2      ARG  18  -6.942  12.266 -11.625
  139    HD3  ARG  18           HD3      ARG  18  -7.523  10.761 -12.339
  140    HE   ARG  18           HE       ARG  18  -9.209  13.217 -11.949
  141   HH11  ARG  18          HH11      ARG  18  -8.332  10.505 -14.125
  142   HH12  ARG  18          HH12      ARG  18  -9.474  11.036 -15.316
  143   HH21  ARG  18          HH21      ARG  18 -10.635  13.779 -13.550
  144   HH22  ARG  18          HH22      ARG  18 -10.745  12.843 -15.007
  145    H    LEU  19           H        LEU  19  -9.862  11.151  -8.032
  146    HA   LEU  19           HA       LEU  19 -11.336   9.255  -6.572
  147    HB2  LEU  19           HB2      LEU  19 -11.979  11.619  -7.012
  148    HB3  LEU  19           HB3      LEU  19 -12.240  11.235  -8.713
  149    HG   LEU  19           HG       LEU  19 -14.117   9.716  -8.070
  150   HD11  LEU  19          HD11      LEU  19 -15.045   9.874  -5.766
  151   HD12  LEU  19          HD12      LEU  19 -13.461   9.095  -5.774
  152   HD13  LEU  19          HD13      LEU  19 -13.614  10.789  -5.253
  153   HD21  LEU  19          HD21      LEU  19 -14.339  12.559  -6.989
  154   HD22  LEU  19          HD22      LEU  19 -14.521  12.073  -8.688
  155   HD23  LEU  19          HD23      LEU  19 -15.688  11.513  -7.481
  156    H    GLY  20           H        GLY  20 -12.514   7.449  -7.053
  157    HA2  GLY  20           HA2      GLY  20 -13.597   5.795  -8.278
  158    HA3  GLY  20           HA3      GLY  20 -13.100   6.580  -9.798
  159    H    TYR  21           H        TYR  21 -10.426   6.615  -9.755
  160    HA   TYR  21           HA       TYR  21  -9.377   3.935  -9.199
  161    HB2  TYR  21           HB2      TYR  21  -9.500   5.121 -12.006
  162    HB3  TYR  21           HB3      TYR  21  -8.608   3.681 -11.561
  163    HD1  TYR  21           HD2      TYR  21  -9.784   1.590 -10.916
  164    HD2  TYR  21           HD1      TYR  21 -11.908   5.049 -12.366
  165    HE1  TYR  21           HE2      TYR  21 -11.818   0.187 -11.284
  166    HE2  TYR  21           HE1      TYR  21 -13.937   3.657 -12.733
  167    HH   TYR  21           HH       TYR  21 -14.888   1.566 -12.544
  168    H    GLU  22           H        GLU  22  -7.204   3.880  -8.837
  169    HA   GLU  22           HA       GLU  22  -5.606   6.213  -8.664
  170    HB2  GLU  22           HB2      GLU  22  -4.580   3.380  -9.085
  171    HB3  GLU  22           HB3      GLU  22  -3.703   4.749  -8.411
  172    HG2  GLU  22           HG2      GLU  22  -4.254   3.703  -6.468
  173    HG3  GLU  22           HG3      GLU  22  -5.681   4.718  -6.613
  174    H    HIS  23           H        HIS  23  -3.885   6.968  -9.926
  175    HA   HIS  23           HA       HIS  23  -3.741   6.154 -12.807
  176    HB2  HIS  23           HB2      HIS  23  -3.861   8.977 -11.650
  177    HB3  HIS  23           HB3      HIS  23  -3.333   8.606 -13.288
  178    HD1  HIS  23           HD1      HIS  23  -6.559   7.385 -11.411
  179    HD2  HIS  23           HD2      HIS  23  -5.229   9.416 -14.844
  180    HE1  HIS  23           HE1      HIS  23  -8.632   7.965 -12.731
  181    H    TRP  24           H        TRP  24  -1.546   6.943 -13.749
  182    HA   TRP  24           HA       TRP  24   0.628   6.760 -11.693
  183    HB2  TRP  24           HB2      TRP  24   0.081   4.939 -14.043
  184    HB3  TRP  24           HB3      TRP  24   1.706   5.197 -13.472
  185    HD1  TRP  24           HD1      TRP  24   2.542   3.953 -11.436
  186    HE1  TRP  24           HE1      TRP  24   1.586   2.168  -9.860
  187    HE3  TRP  24           HE3      TRP  24  -2.395   4.122 -12.855
  188    HZ2  TRP  24           HZ2      TRP  24  -0.965   1.053  -9.207
  189    HZ3  TRP  24           HZ3      TRP  24  -4.064   2.731 -11.678
  190    HH2  TRP  24           HH2      TRP  24  -3.366   1.178  -9.869
  191    H    ALA  25           H        ALA  25   2.574   7.671 -12.184
  192    HA   ALA  25           HA       ALA  25   2.997   8.894 -14.871
  193    HB1  ALA  25           HB1      ALA  25   3.568  11.054 -13.876
  194    HB2  ALA  25           HB2      ALA  25   1.907  10.617 -13.445
  195    HB3  ALA  25           HB3      ALA  25   3.207  10.440 -12.246
  196    H    LEU  26           H        LEU  26   5.103   9.308 -15.439
  197    HA   LEU  26           HA       LEU  26   7.304   8.084 -13.831
  198    HB2  LEU  26           HB2      LEU  26   6.749   7.436 -16.291
  199    HB3  LEU  26           HB3      LEU  26   7.305   9.023 -16.756
  200    HG   LEU  26           HG       LEU  26   8.988   7.408 -17.201
  201   HD11  LEU  26          HD11      LEU  26   9.771   9.622 -16.336
  202   HD12  LEU  26          HD12      LEU  26  10.004   8.859 -14.739
  203   HD13  LEU  26          HD13      LEU  26  10.932   8.299 -16.140
  204   HD21  LEU  26          HD21      LEU  26   9.011   6.645 -14.253
  205   HD22  LEU  26          HD22      LEU  26   8.270   5.684 -15.562
  206   HD23  LEU  26          HD23      LEU  26  10.018   5.960 -15.537
  207    H    TYR  27           H        TYR  27   8.417   9.567 -12.586
  208    HA   TYR  27           HA       TYR  27   8.192  12.452 -13.137
  209    HB2  TYR  27           HB2      TYR  27   8.023  11.455 -10.878
  210    HB3  TYR  27           HB3      TYR  27   9.698  10.944 -10.982
  211    HD1  TYR  27           HD1      TYR  27  11.523  12.608 -10.949
  212    HD2  TYR  27           HD2      TYR  27   7.416  13.787 -10.436
  213    HE1  TYR  27           HE1      TYR  27  12.268  14.738  -9.879
  214    HE2  TYR  27           HE2      TYR  27   8.153  15.956  -9.473
  215    HH   TYR  27           HH       TYR  27   9.970  17.191  -8.675
  216    H    ILE  28           H        ILE  28   9.683  13.796 -14.016
  217    HA   ILE  28           HA       ILE  28  12.189  12.471 -15.059
  218    HB   ILE  28           HB       ILE  28  12.007  13.802 -17.028
  219   HG12  ILE  28          HG12      ILE  28   9.362  14.925 -16.034
  220   HG13  ILE  28          HG13      ILE  28  10.886  15.820 -16.001
  221   HG21  ILE  28          HG21      ILE  28   9.275  12.518 -16.570
  222   HG22  ILE  28          HG22      ILE  28  10.207  12.648 -18.076
  223   HG23  ILE  28          HG23      ILE  28  10.776  11.595 -16.789
  224   HD11  ILE  28          HD11      ILE  28  11.068  15.506 -18.491
  225   HD12  ILE  28          HD12      ILE  28   9.438  14.794 -18.469
  226   HD13  ILE  28          HD13      ILE  28   9.676  16.478 -17.966
  227    H    GLY  29           H        GLY  29  11.497  14.648 -12.721
  228    HA2  GLY  29           HA2      GLY  29  13.237  15.826 -11.520
  229    HA3  GLY  29           HA3      GLY  29  14.138  16.044 -13.029
  230    H    ASP  30           H        ASP  30  13.795  18.133 -11.401
  231    HA   ASP  30           HA       ASP  30  13.253  20.312 -11.323
  232    HB2  ASP  30           HB2      ASP  30  14.090  20.004 -13.689
  233    HB3  ASP  30           HB3      ASP  30  12.409  20.027 -14.225
  234    H    GLY  31           H        GLY  31  11.018  18.327 -10.802
  235    HA2  GLY  31           HA2      GLY  31   8.883  18.655  -9.834
  236    HA3  GLY  31           HA3      GLY  31   8.761  20.240 -10.620
  237    H    TYR  32           H        TYR  32   9.704  18.131 -13.048
  238    HA   TYR  32           HA       TYR  32   6.914  18.041 -14.027
  239    HB2  TYR  32           HB2      TYR  32   9.619  17.899 -15.372
  240    HB3  TYR  32           HB3      TYR  32   8.159  17.422 -16.216
  241    HD1  TYR  32           HD1      TYR  32   9.843  20.302 -14.563
  242    HD2  TYR  32           HD2      TYR  32   6.582  19.003 -17.070
  243    HE1  TYR  32           HE1      TYR  32   9.359  22.663 -15.149
  244    HE2  TYR  32           HE2      TYR  32   6.091  21.366 -17.660
  245    HH   TYR  32           HH       TYR  32   6.709  23.582 -17.402
  246    H    VAL  33           H        VAL  33   5.981  16.364 -15.108
  247    HA   VAL  33           HA       VAL  33   7.061  13.600 -14.714
  248    HB   VAL  33           HB       VAL  33   4.681  12.864 -14.332
  249   HG11  VAL  33          HG11      VAL  33   4.614  13.356 -11.935
  250   HG12  VAL  33          HG12      VAL  33   6.217  12.857 -12.462
  251   HG13  VAL  33          HG13      VAL  33   5.890  14.579 -12.147
  252   HG21  VAL  33          HG21      VAL  33   4.123  15.751 -13.568
  253   HG22  VAL  33          HG22      VAL  33   3.563  14.989 -15.062
  254   HG23  VAL  33          HG23      VAL  33   3.012  14.372 -13.489
  255    H    ILE  34           H        ILE  34   6.232  12.067 -16.122
  256    HA   ILE  34           HA       ILE  34   4.713  13.023 -18.526
  257    HB   ILE  34           HB       ILE  34   7.074  11.114 -18.300
  258   HG12  ILE  34          HG12      ILE  34   6.377  13.506 -20.067
  259   HG13  ILE  34          HG13      ILE  34   7.444  13.535 -18.675
  260   HG21  ILE  34          HG21      ILE  34   5.375   9.853 -19.554
  261   HG22  ILE  34          HG22      ILE  34   4.978  11.275 -20.539
  262   HG23  ILE  34          HG23      ILE  34   6.545  10.466 -20.714
  263   HD11  ILE  34          HD11      ILE  34   8.771  13.568 -20.670
  264   HD12  ILE  34          HD12      ILE  34   9.026  12.017 -19.848
  265   HD13  ILE  34          HD13      ILE  34   7.993  12.106 -21.290
  266    H    HIS  35           H        HIS  35   2.879  11.871 -19.028
  267    HA   HIS  35           HA       HIS  35   2.094   9.559 -17.330
  268    HB2  HIS  35           HB2      HIS  35   0.117  10.936 -16.517
  269    HB3  HIS  35           HB3      HIS  35   1.669  11.431 -15.866
  270    HD1  HIS  35           HD1      HIS  35  -1.195  12.846 -17.903
  271    HD2  HIS  35           HD2      HIS  35   2.791  13.749 -16.937
  272    HE1  HIS  35           HE1      HIS  35  -0.816  15.278 -18.565
  273    H    LEU  36           H        LEU  36   0.209   8.463 -18.107
  274    HA   LEU  36           HA       LEU  36  -0.657   9.154 -20.863
  275    HB2  LEU  36           HB2      LEU  36  -0.044   6.822 -20.335
  276    HB3  LEU  36           HB3      LEU  36  -1.204   6.786 -19.012
  277    HG   LEU  36           HG       LEU  36  -3.068   7.024 -20.681
  278   HD11  LEU  36          HD11      LEU  36  -1.895   8.149 -22.519
  279   HD12  LEU  36          HD12      LEU  36  -0.795   6.765 -22.711
  280   HD13  LEU  36          HD13      LEU  36  -2.526   6.606 -23.091
  281   HD21  LEU  36          HD21      LEU  36  -1.155   4.706 -21.188
  282   HD22  LEU  36          HD22      LEU  36  -2.354   4.798 -19.879
  283   HD23  LEU  36          HD23      LEU  36  -2.889   4.728 -21.567
  284    H    ALA  37           H        ALA  37  -2.566  10.225 -21.247
  285    HA   ALA  37           HA       ALA  37  -4.249  10.971 -18.892
  286    HB1  ALA  37           HB1      ALA  37  -3.035  12.774 -20.014
  287    HB2  ALA  37           HB2      ALA  37  -3.773  12.336 -21.570
  288    HB3  ALA  37           HB3      ALA  37  -4.785  12.949 -20.247
  289    HA   PRO  38           HA       PRO  38  -7.490   8.471 -20.952
  290    HB2  PRO  38           HB2      PRO  38  -9.103   9.739 -18.744
  291    HB3  PRO  38           HB3      PRO  38  -9.077   8.033 -19.277
  292    HG2  PRO  38           HG2      PRO  38  -7.790   8.771 -17.020
  293    HG3  PRO  38           HG3      PRO  38  -7.010   7.631 -18.164
  294    HD2  PRO  38           HD2      PRO  38  -6.557  10.614 -17.894
  295    HD3  PRO  38           HD3      PRO  38  -5.360   9.288 -18.038
  296    HA   PRO  39           HA       PRO  39  -9.793  11.390 -23.409
  297    HB2  PRO  39           HB2      PRO  39 -12.387  10.166 -22.489
  298    HB3  PRO  39           HB3      PRO  39 -11.825  10.495 -24.153
  299    HG2  PRO  39           HG2      PRO  39 -11.758   7.977 -23.132
  300    HG3  PRO  39           HG3      PRO  39 -10.413   8.587 -24.140
  301    HD2  PRO  39           HD2      PRO  39 -10.575   8.381 -21.130
  302    HD3  PRO  39           HD3      PRO  39  -9.211   7.981 -22.221
  303    H    SER  40           H        SER  40 -10.376  13.513 -23.080
  304    HA   SER  40           HA       SER  40 -11.178  14.431 -20.415
  305    HB2  SER  40           HB2      SER  40 -10.936  16.668 -21.472
  306    HB3  SER  40           HB3      SER  40  -9.497  15.654 -21.636
  307    HG   SER  40           HG       SER  40 -10.052  16.719 -23.626
  308    H    GLU  41           H        GLU  41 -12.821  13.669 -23.358
  309    HA   GLU  41           HA       GLU  41 -15.449  14.012 -22.359
  310    HB2  GLU  41           HB2      GLU  41 -14.349  16.449 -23.348
  311    HB3  GLU  41           HB3      GLU  41 -15.374  15.860 -24.640
  312    HG2  GLU  41           HG2      GLU  41 -16.280  16.146 -21.739
  313    HG3  GLU  41           HG3      GLU  41 -16.462  17.399 -22.963
  314    H    TYR  42           H        TYR  42 -17.077  13.412 -24.050
  315    HA   TYR  42           HA       TYR  42 -16.139  11.227 -25.604
  316    HB2  TYR  42           HB2      TYR  42 -18.403  11.491 -24.579
  317    HB3  TYR  42           HB3      TYR  42 -18.804  12.642 -25.857
  318    HD1  TYR  42           HD2      TYR  42 -17.731   9.109 -25.201
  319    HD2  TYR  42           HD1      TYR  42 -19.589  11.837 -27.969
  320    HE1  TYR  42           HE2      TYR  42 -18.385   7.192 -26.650
  321    HE2  TYR  42           HE1      TYR  42 -20.234   9.932 -29.423
  322    HH   TYR  42           HH       TYR  42 -19.446   6.526 -28.591
  323    HA   PRO  43           HA       PRO  43 -14.593  13.240 -29.203
  324    HB2  PRO  43           HB2      PRO  43 -15.636  10.858 -30.747
  325    HB3  PRO  43           HB3      PRO  43 -14.025  11.638 -30.831
  326    HG2  PRO  43           HG2      PRO  43 -14.350   9.370 -29.405
  327    HG3  PRO  43           HG3      PRO  43 -13.410  10.727 -28.698
  328    HD2  PRO  43           HD2      PRO  43 -16.293   9.956 -28.182
  329    HD3  PRO  43           HD3      PRO  43 -15.002  10.407 -27.026
  330    H    GLY  44           H        GLY  44 -17.868  11.844 -29.813
  331    HA2  GLY  44           HA2      GLY  44 -18.469  13.974 -31.829
  332    HA3  GLY  44           HA3      GLY  44 -19.393  12.492 -31.541
  333    H    ALA  45           H        ALA  45 -20.978  14.479 -31.781
  334    HA   ALA  45           HA       ALA  45 -21.628  15.813 -29.269
  335    HB1  ALA  45           HB1      ALA  45 -22.237  16.734 -31.489
  336    HB2  ALA  45           HB2      ALA  45 -23.329  15.350 -31.748
  337    HB3  ALA  45           HB3      ALA  45 -23.653  16.502 -30.447
  338    H    GLY  46           H        GLY  46 -22.399  12.674 -30.659
  339    HA2  GLY  46           HA2      GLY  46 -22.936  10.779 -29.315
  340    HA3  GLY  46           HA3      GLY  46 -23.640  11.840 -28.084
  341    H    SER  47           H        SER  47 -25.620  10.886 -27.929
  342    HA   SER  47           HA       SER  47 -27.129   9.741 -29.992
  343    HB2  SER  47           HB2      SER  47 -28.159  10.933 -27.392
  344    HB3  SER  47           HB3      SER  47 -28.942   9.674 -28.368
  345    HG   SER  47           HG       SER  47 -27.766   8.771 -26.592
  346    H    SER  48           H        SER  48 -26.867  13.163 -29.341
  347    HA   SER  48           HA       SER  48 -29.386  13.951 -30.596
  348    HB2  SER  48           HB2      SER  48 -28.313  16.202 -30.563
  349    HB3  SER  48           HB3      SER  48 -28.382  15.408 -28.979
  350    HG   SER  48           HG       SER  48 -26.311  16.350 -29.364
  351    H    SER  49           H        SER  49 -26.109  13.231 -31.772
  352    HA   SER  49           HA       SER  49 -26.869  14.095 -34.547
  353    HB2  SER  49           HB2      SER  49 -24.489  14.004 -35.014
  354    HB3  SER  49           HB3      SER  49 -24.807  15.058 -33.631
  355    HG   SER  49           HG       SER  49 -23.004  13.431 -33.478
  356    H    VAL  50           H        VAL  50 -25.292  11.407 -32.827
  357    HA   VAL  50           HA       VAL  50 -25.229   9.174 -33.094
  358    HB   VAL  50           HB       VAL  50 -27.165   9.289 -35.327
  359   HG11  VAL  50          HG11      VAL  50 -26.289   7.003 -33.531
  360   HG12  VAL  50          HG12      VAL  50 -27.626   6.926 -34.697
  361   HG13  VAL  50          HG13      VAL  50 -25.976   7.162 -35.276
  362   HG21  VAL  50          HG21      VAL  50 -28.875   8.647 -33.608
  363   HG22  VAL  50          HG22      VAL  50 -27.655   8.890 -32.339
  364   HG23  VAL  50          HG23      VAL  50 -28.225  10.263 -33.314
  365    H    PHE  51           H        PHE  51 -25.241  10.823 -36.238
  366    HA   PHE  51           HA       PHE  51 -23.592   8.916 -37.592
  367    HB2  PHE  51           HB2      PHE  51 -25.235  10.431 -38.654
  368    HB3  PHE  51           HB3      PHE  51 -24.256  11.822 -38.222
  369    HD1  PHE  51           HD1      PHE  51 -24.294   8.680 -40.256
  370    HD2  PHE  51           HD2      PHE  51 -22.437  12.526 -39.636
  371    HE1  PHE  51           HE1      PHE  51 -23.056   8.433 -42.397
  372    HE2  PHE  51           HE2      PHE  51 -21.214  12.282 -41.778
  373    HZ   PHE  51           HZ       PHE  51 -21.518  10.237 -43.164
  374    H    SER  52           H        SER  52 -22.709  11.959 -35.896
  375    HA   SER  52           HA       SER  52 -20.029  11.970 -37.044
  376    HB2  SER  52           HB2      SER  52 -19.791  14.060 -35.798
  377    HB3  SER  52           HB3      SER  52 -21.277  14.019 -36.751
  378    HG   SER  52           HG       SER  52 -21.590  14.836 -34.603
  379    H    VAL  53           H        VAL  53 -21.125  10.070 -34.615
  380    HA   VAL  53           HA       VAL  53 -19.158  10.518 -32.545
  381    HB   VAL  53           HB       VAL  53 -19.866   8.535 -31.484
  382   HG11  VAL  53          HG11      VAL  53 -21.373  10.529 -31.415
  383   HG12  VAL  53          HG12      VAL  53 -22.346   9.810 -32.712
  384   HG13  VAL  53          HG13      VAL  53 -22.213   8.992 -31.146
  385   HG21  VAL  53          HG21      VAL  53 -19.985   6.878 -33.216
  386   HG22  VAL  53          HG22      VAL  53 -21.588   6.990 -32.485
  387   HG23  VAL  53          HG23      VAL  53 -21.274   7.751 -34.061
  388    H    LEU  54           H        LEU  54 -17.333   9.326 -31.960
  389    HA   LEU  54           HA       LEU  54 -16.094   7.469 -33.927
  390    HB2  LEU  54           HB2      LEU  54 -14.838  10.027 -32.818
  391    HB3  LEU  54           HB3      LEU  54 -13.929   8.779 -33.650
  392    HG   LEU  54           HG       LEU  54 -16.177  10.394 -34.929
  393   HD11  LEU  54          HD11      LEU  54 -13.152  10.687 -35.168
  394   HD12  LEU  54          HD12      LEU  54 -14.371  11.600 -36.085
  395   HD13  LEU  54          HD13      LEU  54 -14.248  11.803 -34.326
  396   HD21  LEU  54          HD21      LEU  54 -15.839   8.195 -36.036
  397   HD22  LEU  54          HD22      LEU  54 -15.251   9.510 -37.059
  398   HD23  LEU  54          HD23      LEU  54 -14.096   8.516 -36.149
  399    H    SER  55           H        SER  55 -14.130   6.419 -33.010
  400    HA   SER  55           HA       SER  55 -14.627   5.341 -30.394
  401    HB2  SER  55           HB2      SER  55 -12.121   5.149 -32.099
  402    HB3  SER  55           HB3      SER  55 -12.542   4.121 -30.715
  403    HG   SER  55           HG       SER  55 -13.098   3.120 -32.743
  404    H    ASN  56           H        ASN  56 -13.388   5.451 -28.477
  405    HA   ASN  56           HA       ASN  56 -12.270   8.125 -27.911
  406    HB2  ASN  56           HB2      ASN  56 -13.084   5.731 -26.227
  407    HB3  ASN  56           HB3      ASN  56 -12.154   7.060 -25.545
  408   HD21  ASN  56          HD22      ASN  56 -15.242   6.462 -27.365
  409   HD22  ASN  56          HD21      ASN  56 -16.069   7.807 -26.600
  410    H    SER  57           H        SER  57 -10.211   8.433 -26.791
  411    HA   SER  57           HA       SER  57  -8.209   6.288 -26.819
  412    HB2  SER  57           HB2      SER  57  -6.647   7.558 -28.280
  413    HB3  SER  57           HB3      SER  57  -8.072   6.938 -29.126
  414    HG   SER  57           HG       SER  57  -7.765   9.076 -29.778
  415    H    ALA  58           H        ALA  58  -6.281   6.783 -25.768
  416    HA   ALA  58           HA       ALA  58  -6.298   9.134 -23.900
  417    HB1  ALA  58           HB1      ALA  58  -4.745   7.714 -22.568
  418    HB2  ALA  58           HB2      ALA  58  -6.319   6.933 -22.795
  419    HB3  ALA  58           HB3      ALA  58  -4.924   6.406 -23.757
  420    H    GLU  59           H        GLU  59  -4.159  10.160 -23.567
  421    HA   GLU  59           HA       GLU  59  -2.236   9.757 -25.824
  422    HB2  GLU  59           HB2      GLU  59  -3.758  11.784 -26.196
  423    HB3  GLU  59           HB3      GLU  59  -2.964  12.520 -24.785
  424    HG2  GLU  59           HG2      GLU  59  -0.766  12.312 -25.928
  425    HG3  GLU  59           HG3      GLU  59  -1.534  11.494 -27.288
  426    H    VAL  60           H        VAL  60  -0.082   9.878 -25.277
  427    HA   VAL  60           HA       VAL  60   0.589  10.090 -22.398
  428    HB   VAL  60           HB       VAL  60   2.450   9.898 -24.767
  429   HG11  VAL  60          HG11      VAL  60   3.545  10.763 -22.687
  430   HG12  VAL  60          HG12      VAL  60   2.899   9.398 -21.783
  431   HG13  VAL  60          HG13      VAL  60   4.118   9.143 -23.063
  432   HG21  VAL  60          HG21      VAL  60   1.442   7.676 -22.932
  433   HG22  VAL  60          HG22      VAL  60   1.019   7.878 -24.649
  434   HG23  VAL  60          HG23      VAL  60   2.680   7.496 -24.195
  435    H    LYS  61           H        LYS  61   1.113  11.932 -21.415
  436    HA   LYS  61           HA       LYS  61   1.873  14.372 -22.990
  437    HB2  LYS  61           HB2      LYS  61  -0.277  13.984 -20.867
  438    HB3  LYS  61           HB3      LYS  61   0.332  15.582 -21.326
  439    HG2  LYS  61           HG2      LYS  61  -0.377  15.196 -23.674
  440    HG3  LYS  61           HG3      LYS  61  -1.019  13.600 -23.227
  441    HD2  LYS  61           HD2      LYS  61  -2.578  14.609 -21.657
  442    HD3  LYS  61           HD3      LYS  61  -1.945  16.225 -21.981
  443    HE2  LYS  61           HE2      LYS  61  -3.481  14.420 -23.920
  444    HE3  LYS  61           HE3      LYS  61  -4.113  15.819 -23.059
  445    HZ1  LYS  61           HZ1      LYS  61  -2.366  17.155 -24.297
  446    HZ2  LYS  61           HZ2      LYS  61  -2.120  15.818 -25.258
  447    HZ3  LYS  61           HZ3      LYS  61  -3.569  16.551 -25.224
  448    H    ARG  62           H        ARG  62   2.806  16.080 -21.706
  449    HA   ARG  62           HA       ARG  62   4.312  15.217 -19.259
  450    HB2  ARG  62           HB2      ARG  62   5.739  15.467 -21.293
  451    HB3  ARG  62           HB3      ARG  62   5.169  17.123 -21.485
  452    HG2  ARG  62           HG2      ARG  62   6.209  17.735 -19.301
  453    HG3  ARG  62           HG3      ARG  62   6.747  16.061 -19.095
  454    HD2  ARG  62           HD2      ARG  62   8.618  17.390 -19.916
  455    HD3  ARG  62           HD3      ARG  62   8.120  16.270 -21.171
  456    HE   ARG  62           HE       ARG  62   7.381  18.029 -22.503
  457   HH11  ARG  62          HH11      ARG  62   8.364  19.430 -19.380
  458   HH12  ARG  62          HH12      ARG  62   8.290  21.046 -20.009
  459   HH21  ARG  62          HH21      ARG  62   7.288  20.136 -23.200
  460   HH22  ARG  62          HH22      ARG  62   7.682  21.439 -22.122
  461    H    GLU  63           H        GLU  63   4.081  16.565 -17.476
  462    HA   GLU  63           HA       GLU  63   3.735  19.414 -17.722
  463    HB2  GLU  63           HB2      GLU  63   1.303  17.790 -17.358
  464    HB3  GLU  63           HB3      GLU  63   1.538  18.882 -16.021
  465    HG2  GLU  63           HG2      GLU  63   1.297  19.661 -18.932
  466    HG3  GLU  63           HG3      GLU  63   0.149  19.949 -17.637
  467    H    ARG  64           H        ARG  64   3.244  20.314 -15.348
  468    HA   ARG  64           HA       ARG  64   5.349  19.294 -13.611
  469    HB2  ARG  64           HB2      ARG  64   3.243  21.448 -13.215
  470    HB3  ARG  64           HB3      ARG  64   4.500  21.040 -12.031
  471    HG2  ARG  64           HG2      ARG  64   6.259  21.530 -13.726
  472    HG3  ARG  64           HG3      ARG  64   4.998  22.013 -14.881
  473    HD2  ARG  64           HD2      ARG  64   4.272  23.805 -13.317
  474    HD3  ARG  64           HD3      ARG  64   5.577  23.332 -12.200
  475    HE   ARG  64           HE       ARG  64   6.640  23.822 -14.823
  476   HH11  ARG  64          HH11      ARG  64   5.410  25.678 -12.064
  477   HH12  ARG  64          HH12      ARG  64   6.350  27.077 -12.481
  478   HH21  ARG  64          HH21      ARG  64   7.816  25.645 -15.298
  479   HH22  ARG  64          HH22      ARG  64   7.696  27.061 -14.295
  480    H    LEU  65           H        LEU  65   5.188  18.134 -11.740
  481    HA   LEU  65           HA       LEU  65   3.203  16.186 -11.400
  482    HB2  LEU  65           HB2      LEU  65   5.436  16.052 -10.397
  483    HB3  LEU  65           HB3      LEU  65   5.118  17.444  -9.371
  484    HG   LEU  65           HG       LEU  65   3.438  16.178  -8.085
  485   HD11  LEU  65          HD11      LEU  65   4.211  13.755  -9.767
  486   HD12  LEU  65          HD12      LEU  65   3.105  13.782  -8.383
  487   HD13  LEU  65          HD13      LEU  65   2.655  14.601  -9.882
  488   HD21  LEU  65          HD21      LEU  65   5.803  16.151  -7.395
  489   HD22  LEU  65          HD22      LEU  65   5.027  14.603  -7.020
  490   HD23  LEU  65          HD23      LEU  65   6.099  14.732  -8.422
  491    H    GLU  66           H        GLU  66   3.434  19.243  -9.508
  492    HA   GLU  66           HA       GLU  66   1.129  18.974  -7.951
  493    HB2  GLU  66           HB2      GLU  66   1.869  21.663  -9.148
  494    HB3  GLU  66           HB3      GLU  66   1.151  21.298  -7.582
  495    HG2  GLU  66           HG2      GLU  66   3.345  20.136  -6.993
  496    HG3  GLU  66           HG3      GLU  66   3.979  20.801  -8.519
  497    H    ASP  67           H        ASP  67   1.414  20.481 -11.193
  498    HA   ASP  67           HA       ASP  67  -1.313  21.114 -11.487
  499    HB2  ASP  67           HB2      ASP  67   0.527  22.067 -12.849
  500    HB3  ASP  67           HB3      ASP  67   0.726  20.523 -13.674
  501    H    VAL  68           H        VAL  68   0.482  18.192 -12.429
  502    HA   VAL  68           HA       VAL  68  -1.671  16.876 -13.748
  503    HB   VAL  68           HB       VAL  68   0.943  15.862 -12.615
  504   HG11  VAL  68          HG11      VAL  68  -1.130  14.230 -14.159
  505   HG12  VAL  68          HG12      VAL  68   0.552  13.738 -13.866
  506   HG13  VAL  68          HG13      VAL  68  -0.557  13.920 -12.504
  507   HG21  VAL  68          HG21      VAL  68   1.426  15.608 -15.062
  508   HG22  VAL  68          HG22      VAL  68  -0.166  16.271 -15.442
  509   HG23  VAL  68          HG23      VAL  68   1.049  17.271 -14.628
  510    H    VAL  69           H        VAL  69  -0.482  16.551 -10.296
  511    HA   VAL  69           HA       VAL  69  -2.528  14.628  -9.728
  512    HB   VAL  69           HB       VAL  69  -1.899  14.795  -7.459
  513   HG11  VAL  69          HG11      VAL  69   0.517  14.763  -9.277
  514   HG12  VAL  69          HG12      VAL  69   0.450  14.095  -7.640
  515   HG13  VAL  69          HG13      VAL  69  -0.569  13.415  -8.920
  516   HG21  VAL  69          HG21      VAL  69  -0.117  17.133  -8.148
  517   HG22  VAL  69          HG22      VAL  69  -1.513  17.149  -7.051
  518   HG23  VAL  69          HG23      VAL  69  -0.063  16.237  -6.624
  519    H    GLY  70           H        GLY  70  -2.399  18.214  -9.333
  520    HA2  GLY  70           HA2      GLY  70  -4.080  19.719  -8.816
  521    HA3  GLY  70           HA3      GLY  70  -5.242  18.480  -9.309
  522    H    GLY  71           H        GLY  71  -6.664  18.023  -7.776
  523    HA2  GLY  71           HA2      GLY  71  -6.130  18.393  -4.901
  524    HA3  GLY  71           HA3      GLY  71  -7.661  17.907  -5.671
  525    H    CYS  72           H        CYS  72  -5.449  15.821  -6.975
  526    HA   CYS  72           HA       CYS  72  -6.339  13.584  -5.324
  527    HB2  CYS  72           HB2      CYS  72  -4.270  13.580  -7.556
  528    HB3  CYS  72           HB3      CYS  72  -5.167  12.206  -6.902
  529    HG   CYS  72           HG       CYS  72  -6.190  14.818  -8.678
  530    H    CYS  73           H        CYS  73  -5.046  12.264  -4.007
  531    HA   CYS  73           HA       CYS  73  -2.509  13.356  -2.942
  532    HB2  CYS  73           HB2      CYS  73  -4.099  10.823  -2.291
  533    HB3  CYS  73           HB3      CYS  73  -2.620  11.329  -1.459
  534    HG   CYS  73           HG       CYS  73  -4.719  11.902   0.043
  535    H    TYR  74           H        TYR  74  -0.561  11.842  -2.829
  536    HA   TYR  74           HA       TYR  74  -0.320   9.822  -4.909
  537    HB2  TYR  74           HB2      TYR  74   1.290  10.934  -6.315
  538    HB3  TYR  74           HB3      TYR  74  -0.149  11.914  -6.244
  539    HD1  TYR  74           HD1      TYR  74  -0.159  14.068  -4.952
  540    HD2  TYR  74           HD2      TYR  74   3.422  11.707  -5.424
  541    HE1  TYR  74           HE1      TYR  74   1.219  16.017  -4.267
  542    HE2  TYR  74           HE2      TYR  74   4.799  13.647  -4.720
  543    HH   TYR  74           HH       TYR  74   3.355  16.817  -3.854
  544    H    ARG  75           H        ARG  75   1.851   8.861  -5.086
  545    HA   ARG  75           HA       ARG  75   3.882   9.518  -3.097
  546    HB2  ARG  75           HB2      ARG  75   3.940   7.478  -1.870
  547    HB3  ARG  75           HB3      ARG  75   2.289   8.076  -1.782
  548    HG2  ARG  75           HG2      ARG  75   1.652   6.465  -3.607
  549    HG3  ARG  75           HG3      ARG  75   3.307   5.839  -3.604
  550    HD2  ARG  75           HD2      ARG  75   3.058   5.159  -1.233
  551    HD3  ARG  75           HD3      ARG  75   1.376   5.741  -1.258
  552    HE   ARG  75           HE       ARG  75   1.940   3.903  -3.448
  553   HH11  ARG  75          HH11      ARG  75   1.110   3.774   0.009
  554   HH12  ARG  75          HH12      ARG  75   0.303   2.248  -0.193
  555   HH21  ARG  75          HH21      ARG  75   0.935   2.130  -3.644
  556   HH22  ARG  75          HH22      ARG  75   0.220   1.259  -2.282
  557    H    VAL  76           H        VAL  76   5.870   8.299  -3.366
  558    HA   VAL  76           HA       VAL  76   6.369   7.357  -6.140
  559    HB   VAL  76           HB       VAL  76   8.227   7.643  -3.747
  560   HG11  VAL  76          HG11      VAL  76   8.872   6.816  -6.612
  561   HG12  VAL  76          HG12      VAL  76  10.076   7.290  -5.391
  562   HG13  VAL  76          HG13      VAL  76   9.103   5.846  -5.140
  563   HG21  VAL  76          HG21      VAL  76   9.187   9.522  -4.993
  564   HG22  VAL  76          HG22      VAL  76   8.031   9.265  -6.323
  565   HG23  VAL  76          HG23      VAL  76   7.466   9.807  -4.730
  566    H    ASN  77           H        ASN  77   6.655   5.229  -6.684
  567    HA   ASN  77           HA       ASN  77   7.015   3.159  -4.627
  568    HB2  ASN  77           HB2      ASN  77   4.563   3.489  -4.718
  569    HB3  ASN  77           HB3      ASN  77   4.570   3.118  -6.439
  570   HD21  ASN  77          HD22      ASN  77   2.939   1.622  -5.056
  571   HD22  ASN  77          HD21      ASN  77   3.587  -0.000  -4.744
  572    H    ASN  78           H        ASN  78   9.061   3.111  -5.689
  573    HA   ASN  78           HA       ASN  78   9.280   2.154  -8.447
  574    HB2  ASN  78           HB2      ASN  78  11.326   2.582  -6.237
  575    HB3  ASN  78           HB3      ASN  78  11.731   2.027  -7.860
  576   HD21  ASN  78          HD22      ASN  78  12.857   4.370  -6.813
  577   HD22  ASN  78          HD21      ASN  78  12.252   5.719  -7.764
  578    H    SER  79           H        SER  79   7.729   0.321  -7.930
  579    HA   SER  79           HA       SER  79   8.375  -1.793  -6.165
  580    HB2  SER  79           HB2      SER  79   6.639  -3.031  -7.493
  581    HB3  SER  79           HB3      SER  79   6.135  -1.420  -6.945
  582    HG   SER  79           HG       SER  79   5.603  -1.796  -9.176
  583    H    LEU  80           H        LEU  80   9.201  -1.397  -9.603
  584    HA   LEU  80           HA       LEU  80  10.059  -4.069 -10.029
  585    HB2  LEU  80           HB2      LEU  80  10.938  -1.626 -11.602
  586    HB3  LEU  80           HB3      LEU  80  10.935  -3.318 -12.121
  587    HG   LEU  80           HG       LEU  80   8.487  -1.575 -11.631
  588   HD11  LEU  80          HD11      LEU  80   9.649  -2.819 -14.164
  589   HD12  LEU  80          HD12      LEU  80   8.157  -1.861 -14.054
  590   HD13  LEU  80          HD13      LEU  80   9.711  -1.097 -13.719
  591   HD21  LEU  80          HD21      LEU  80   8.647  -4.520 -12.409
  592   HD22  LEU  80          HD22      LEU  80   7.920  -3.842 -10.936
  593   HD23  LEU  80          HD23      LEU  80   7.182  -3.516 -12.509
  594    H    ASP  81           H        ASP  81  11.669  -1.687  -8.249
  595    HA   ASP  81           HA       ASP  81  14.439  -2.287  -8.552
  596    HB2  ASP  81           HB2      ASP  81  13.381  -0.523  -7.076
  597    HB3  ASP  81           HB3      ASP  81  12.816  -1.832  -6.008
  598    H    HIS  82           H        HIS  82  11.818  -4.047  -7.002
  599    HA   HIS  82           HA       HIS  82  13.461  -6.086  -5.692
  600    HB2  HIS  82           HB2      HIS  82  11.308  -5.166  -4.857
  601    HB3  HIS  82           HB3      HIS  82  10.479  -5.803  -6.268
  602    HD1  HIS  82           HD1      HIS  82   9.987  -8.440  -6.319
  603    HD2  HIS  82           HD2      HIS  82  12.008  -6.976  -2.920
  604    HE1  HIS  82           HE1      HIS  82   9.899 -10.300  -4.571
  605    H    GLU  83           H        GLU  83  12.429  -5.609  -8.932
  606    HA   GLU  83           HA       GLU  83  12.127  -8.507  -9.546
  607    HB2  GLU  83           HB2      GLU  83  11.285  -6.051 -11.138
  608    HB3  GLU  83           HB3      GLU  83  10.995  -7.734 -11.572
  609    HG2  GLU  83           HG2      GLU  83   9.834  -6.243  -9.181
  610    HG3  GLU  83           HG3      GLU  83   8.979  -6.747 -10.629
  611    H    TYR  84           H        TYR  84  13.683  -5.541 -10.766
  612    HA   TYR  84           HA       TYR  84  15.722  -7.199 -12.221
  613    HB2  TYR  84           HB2      TYR  84  14.721  -4.507 -13.152
  614    HB3  TYR  84           HB3      TYR  84  15.621  -5.709 -14.065
  615    HD1  TYR  84           HD2      TYR  84  14.360  -8.077 -14.349
  616    HD2  TYR  84           HD1      TYR  84  12.426  -4.336 -13.444
  617    HE1  TYR  84           HE2      TYR  84  12.178  -9.042 -15.041
  618    HE2  TYR  84           HE1      TYR  84  10.236  -5.298 -14.099
  619    HH   TYR  84           HH       TYR  84   9.109  -7.173 -14.873
  620    H    GLN  85           H        GLN  85  17.765  -6.093 -12.734
  621    HA   GLN  85           HA       GLN  85  18.858  -4.615 -10.499
  622    HB2  GLN  85           HB2      GLN  85  19.977  -5.441 -13.200
  623    HB3  GLN  85           HB3      GLN  85  20.910  -4.493 -12.050
  624    HG2  GLN  85           HG2      GLN  85  19.717  -7.233 -11.480
  625    HG3  GLN  85           HG3      GLN  85  21.400  -6.924 -11.905
  626   HE21  GLN  85          HE22      GLN  85  20.137  -8.114  -9.377
  627   HE22  GLN  85          HE21      GLN  85  20.808  -7.123  -8.091
  628    HA   PRO  86           HA       PRO  86  18.068  -0.438 -11.541
  629    HB2  PRO  86           HB2      PRO  86  21.058   0.079 -11.532
  630    HB3  PRO  86           HB3      PRO  86  19.746   1.024 -10.759
  631    HG2  PRO  86           HG2      PRO  86  21.219  -0.709  -9.289
  632    HG3  PRO  86           HG3      PRO  86  19.437  -0.649  -9.078
  633    HD2  PRO  86           HD2      PRO  86  21.092  -2.621 -10.648
  634    HD3  PRO  86           HD3      PRO  86  19.705  -2.914  -9.553
  635    H    ARG  87           H        ARG  87  17.606   0.693 -13.337
  636    HA   ARG  87           HA       ARG  87  18.954   0.026 -15.912
  637    HB2  ARG  87           HB2      ARG  87  16.292   1.384 -15.362
  638    HB3  ARG  87           HB3      ARG  87  16.887   0.924 -16.946
  639    HG2  ARG  87           HG2      ARG  87  16.065  -0.966 -14.692
  640    HG3  ARG  87           HG3      ARG  87  15.134  -0.550 -16.114
  641    HD2  ARG  87           HD2      ARG  87  15.997  -2.699 -16.531
  642    HD3  ARG  87           HD3      ARG  87  16.926  -1.590 -17.552
  643    HE   ARG  87           HE       ARG  87  18.064  -2.239 -14.899
  644   HH11  ARG  87          HH11      ARG  87  17.890  -3.638 -18.122
  645   HH12  ARG  87          HH12      ARG  87  19.529  -4.214 -18.067
  646   HH21  ARG  87          HH21      ARG  87  20.247  -2.768 -14.987
  647   HH22  ARG  87          HH22      ARG  87  20.811  -3.836 -16.243
  648    HA   PRO  88           HA       PRO  88  20.760   4.093 -16.017
  649    HB2  PRO  88           HB2      PRO  88  21.064   4.630 -18.675
  650    HB3  PRO  88           HB3      PRO  88  21.987   3.364 -17.807
  651    HG2  PRO  88           HG2      PRO  88  19.485   3.004 -19.471
  652    HG3  PRO  88           HG3      PRO  88  21.007   2.062 -19.545
  653    HD2  PRO  88           HD2      PRO  88  18.801   1.239 -18.188
  654    HD3  PRO  88           HD3      PRO  88  20.457   0.897 -17.586
  655    H    VAL  89           H        VAL  89  19.537   5.677 -15.206
  656    HA   VAL  89           HA       VAL  89  16.902   6.182 -15.757
  657    HB   VAL  89           HB       VAL  89  18.096   6.917 -13.753
  658   HG11  VAL  89          HG11      VAL  89  19.061   9.334 -15.347
  659   HG12  VAL  89          HG12      VAL  89  19.274   9.045 -13.612
  660   HG13  VAL  89          HG13      VAL  89  20.090   7.999 -14.779
  661   HG21  VAL  89          HG21      VAL  89  16.553   9.211 -15.031
  662   HG22  VAL  89          HG22      VAL  89  15.823   7.768 -14.292
  663   HG23  VAL  89          HG23      VAL  89  16.782   8.893 -13.304
  664    H    GLU  90           H        GLU  90  19.581   7.797 -17.456
  665    HA   GLU  90           HA       GLU  90  18.022   9.755 -18.769
  666    HB2  GLU  90           HB2      GLU  90  19.813   9.906 -20.387
  667    HB3  GLU  90           HB3      GLU  90  20.446   9.784 -18.746
  668    HG2  GLU  90           HG2      GLU  90  20.941   7.341 -19.178
  669    HG3  GLU  90           HG3      GLU  90  20.418   7.574 -20.850
  670    H    VAL  91           H        VAL  91  18.513   6.329 -19.596
  671    HA   VAL  91           HA       VAL  91  17.170   6.490 -22.142
  672    HB   VAL  91           HB       VAL  91  17.537   3.975 -20.491
  673   HG11  VAL  91          HG11      VAL  91  17.200   4.402 -23.498
  674   HG12  VAL  91          HG12      VAL  91  17.495   2.846 -22.689
  675   HG13  VAL  91          HG13      VAL  91  15.981   3.713 -22.409
  676   HG21  VAL  91          HG21      VAL  91  19.445   5.210 -22.535
  677   HG22  VAL  91          HG22      VAL  91  19.748   5.019 -20.795
  678   HG23  VAL  91          HG23      VAL  91  19.604   3.589 -21.813
  679    H    ILE  92           H        ILE  92  16.086   5.712 -18.810
  680    HA   ILE  92           HA       ILE  92  13.363   5.017 -19.439
  681    HB   ILE  92           HB       ILE  92  14.357   6.500 -16.952
  682   HG12  ILE  92          HG12      ILE  92  14.310   3.485 -17.420
  683   HG13  ILE  92          HG13      ILE  92  15.755   4.491 -17.316
  684   HG21  ILE  92          HG21      ILE  92  12.417   5.543 -15.844
  685   HG22  ILE  92          HG22      ILE  92  11.855   6.359 -17.295
  686   HG23  ILE  92          HG23      ILE  92  11.997   4.592 -17.284
  687   HD11  ILE  92          HD11      ILE  92  13.818   3.892 -15.067
  688   HD12  ILE  92          HD12      ILE  92  15.546   3.504 -15.192
  689   HD13  ILE  92          HD13      ILE  92  15.038   5.186 -14.990
  690    H    ILE  93           H        ILE  93  14.830   8.202 -18.674
  691    HA   ILE  93           HA       ILE  93  12.384   9.651 -19.091
  692    HB   ILE  93           HB       ILE  93  15.295  10.488 -18.834
  693   HG12  ILE  93          HG12      ILE  93  12.878  10.791 -16.966
  694   HG13  ILE  93          HG13      ILE  93  14.023   9.458 -16.846
  695   HG21  ILE  93          HG21      ILE  93  14.444  12.832 -18.524
  696   HG22  ILE  93          HG22      ILE  93  14.192  12.236 -20.149
  697   HG23  ILE  93          HG23      ILE  93  12.821  12.283 -19.022
  698   HD11  ILE  93          HD11      ILE  93  15.852  11.057 -16.377
  699   HD12  ILE  93          HD12      ILE  93  14.666  12.383 -16.357
  700   HD13  ILE  93          HD13      ILE  93  14.537  11.071 -15.173
  701    H    SER  94           H        SER  94  15.170   9.061 -21.316
  702    HA   SER  94           HA       SER  94  14.018  10.502 -23.479
  703    HB2  SER  94           HB2      SER  94  15.905   8.126 -23.415
  704    HB3  SER  94           HB3      SER  94  15.398   8.924 -24.921
  705    HG   SER  94           HG       SER  94  17.389   9.793 -24.057
  706    H    SER  95           H        SER  95  13.455   7.141 -22.432
  707    HA   SER  95           HA       SER  95  11.706   6.407 -24.579
  708    HB2  SER  95           HB2      SER  95  12.791   4.860 -22.924
  709    HB3  SER  95           HB3      SER  95  11.614   5.410 -21.710
  710    HG   SER  95           HG       SER  95  11.081   3.424 -23.034
  711    H    ALA  96           H        ALA  96  11.016   7.866 -21.334
  712    HA   ALA  96           HA       ALA  96   8.225   8.117 -21.637
  713    HB1  ALA  96           HB1      ALA  96   8.459   9.659 -19.766
  714    HB2  ALA  96           HB2      ALA  96   9.668   8.388 -19.561
  715    HB3  ALA  96           HB3      ALA  96  10.159   9.974 -20.168
  716    H    LYS  97           H        LYS  97  10.834  10.468 -22.498
  717    HA   LYS  97           HA       LYS  97   9.128  12.465 -23.607
  718    HB2  LYS  97           HB2      LYS  97  12.053  11.732 -24.000
  719    HB3  LYS  97           HB3      LYS  97  11.315  13.125 -24.795
  720    HG2  LYS  97           HG2      LYS  97  10.782  14.183 -22.695
  721    HG3  LYS  97           HG3      LYS  97  11.276  12.751 -21.761
  722    HD2  LYS  97           HD2      LYS  97  13.573  12.978 -22.494
  723    HD3  LYS  97           HD3      LYS  97  13.147  14.306 -23.596
  724    HE2  LYS  97           HE2      LYS  97  12.391  15.670 -21.627
  725    HE3  LYS  97           HE3      LYS  97  12.940  14.386 -20.542
  726    HZ1  LYS  97           HZ1      LYS  97  14.632  16.136 -20.813
  727    HZ2  LYS  97           HZ2      LYS  97  15.216  14.737 -21.428
  728    HZ3  LYS  97           HZ3      LYS  97  14.685  15.916 -22.428
  729    H    GLU  98           H        GLU  98  10.708   9.691 -25.208
  730    HA   GLU  98           HA       GLU  98   9.746  10.302 -27.828
  731    HB2  GLU  98           HB2      GLU  98  10.697   7.740 -26.510
  732    HB3  GLU  98           HB3      GLU  98  10.101   7.750 -28.165
  733    HG2  GLU  98           HG2      GLU  98  12.385   9.520 -27.215
  734    HG3  GLU  98           HG3      GLU  98  12.599   7.934 -27.952
  735    H    MET  99           H        MET  99   8.271   8.468 -25.149
  736    HA   MET  99           HA       MET  99   5.960   7.694 -26.644
  737    HB2  MET  99           HB2      MET  99   6.503   7.805 -23.672
  738    HB3  MET  99           HB3      MET  99   5.001   7.201 -24.382
  739    HG2  MET  99           HG2      MET  99   7.729   6.127 -25.188
  740    HG3  MET  99           HG3      MET  99   6.823   5.452 -23.865
  741    HE1  MET  99           HE1      MET  99   4.109   3.355 -25.321
  742    HE2  MET  99           HE2      MET  99   5.178   3.741 -23.957
  743    HE3  MET  99           HE3      MET  99   3.949   4.912 -24.491
  744    H    VAL 100           H        VAL 100   6.516  10.501 -24.472
  745    HA   VAL 100           HA       VAL 100   4.001  11.700 -24.562
  746    HB   VAL 100           HB       VAL 100   6.684  13.101 -24.759
  747   HG11  VAL 100          HG11      VAL 100   3.942  14.352 -24.231
  748   HG12  VAL 100          HG12      VAL 100   5.496  15.160 -23.991
  749   HG13  VAL 100          HG13      VAL 100   5.004  14.702 -25.619
  750   HG21  VAL 100          HG21      VAL 100   6.361  13.538 -22.419
  751   HG22  VAL 100          HG22      VAL 100   4.717  12.853 -22.450
  752   HG23  VAL 100          HG23      VAL 100   6.119  11.804 -22.669
  753    H    GLY 101           H        GLY 101   2.666  12.483 -25.926
  754    HA2  GLY 101           HA2      GLY 101   1.924  13.678 -27.832
  755    HA3  GLY 101           HA3      GLY 101   3.449  13.313 -28.681
  756    H    GLN 102           H        GLN 102   2.895  10.340 -27.520
  757    HA   GLN 102           HA       GLN 102   1.473   9.502 -29.895
  758    HB2  GLN 102           HB2      GLN 102   2.698   7.856 -27.650
  759    HB3  GLN 102           HB3      GLN 102   1.978   7.220 -29.127
  760    HG2  GLN 102           HG2      GLN 102   3.670   8.514 -30.481
  761    HG3  GLN 102           HG3      GLN 102   4.442   9.022 -28.983
  762   HE21  GLN 102          HE22      GLN 102   6.417   7.878 -28.915
  763   HE22  GLN 102          HE21      GLN 102   6.507   6.141 -29.188
  764    H    LYS 103           H        LYS 103  -0.447   8.483 -30.009
  765    HA   LYS 103           HA       LYS 103  -2.318   8.674 -27.706
  766    HB2  LYS 103           HB2      LYS 103  -2.706   8.426 -30.702
  767    HB3  LYS 103           HB3      LYS 103  -4.011   8.116 -29.544
  768    HG2  LYS 103           HG2      LYS 103  -3.741  10.364 -28.571
  769    HG3  LYS 103           HG3      LYS 103  -2.447  10.730 -29.733
  770    HD2  LYS 103           HD2      LYS 103  -3.994  10.557 -31.610
  771    HD3  LYS 103           HD3      LYS 103  -5.246   9.867 -30.576
  772    HE2  LYS 103           HE2      LYS 103  -5.881  12.112 -30.952
  773    HE3  LYS 103           HE3      LYS 103  -5.349  11.980 -29.269
  774    HZ1  LYS 103           HZ1      LYS 103  -3.570  12.998 -31.431
  775    HZ2  LYS 103           HZ2      LYS 103  -4.513  13.973 -30.525
  776    HZ3  LYS 103           HZ3      LYS 103  -3.339  13.123 -29.796
  777    H    MET 104           H        MET 104  -3.539   6.969 -27.015
  778    HA   MET 104           HA       MET 104  -2.763   4.178 -27.798
  779    HB2  MET 104           HB2      MET 104  -3.384   5.135 -24.975
  780    HB3  MET 104           HB3      MET 104  -2.863   3.524 -25.460
  781    HG2  MET 104           HG2      MET 104  -1.201   6.080 -25.588
  782    HG3  MET 104           HG3      MET 104  -1.057   4.797 -24.394
  783    HE1  MET 104           HE1      MET 104   1.570   5.093 -24.954
  784    HE2  MET 104           HE2      MET 104   2.267   4.749 -26.552
  785    HE3  MET 104           HE3      MET 104   1.239   6.174 -26.330
  786    H    LYS 105           H        LYS 105  -4.468   2.616 -27.597
  787    HA   LYS 105           HA       LYS 105  -7.135   3.550 -28.096
  788    HB2  LYS 105           HB2      LYS 105  -7.777   1.220 -28.046
  789    HB3  LYS 105           HB3      LYS 105  -6.266   1.416 -28.927
  790    HG2  LYS 105           HG2      LYS 105  -5.003   0.618 -26.913
  791    HG3  LYS 105           HG3      LYS 105  -6.542   0.399 -26.053
  792    HD2  LYS 105           HD2      LYS 105  -7.280  -1.228 -27.762
  793    HD3  LYS 105           HD3      LYS 105  -5.746  -1.011 -28.636
  794    HE2  LYS 105           HE2      LYS 105  -4.502  -1.798 -26.614
  795    HE3  LYS 105           HE3      LYS 105  -6.035  -2.031 -25.767
  796    HZ1  LYS 105           HZ1      LYS 105  -5.207  -3.479 -28.233
  797    HZ2  LYS 105           HZ2      LYS 105  -5.228  -4.113 -26.728
  798    HZ3  LYS 105           HZ3      LYS 105  -6.629  -3.702 -27.455
  799    H    TYR 106           H        TYR 106  -9.099   3.120 -26.838
  800    HA   TYR 106           HA       TYR 106  -8.938   4.239 -24.216
  801    HB2  TYR 106           HB2      TYR 106 -11.316   3.902 -24.074
  802    HB3  TYR 106           HB3      TYR 106 -10.867   4.558 -25.629
  803    HD1  TYR 106           HD1      TYR 106 -11.138   3.227 -27.715
  804    HD2  TYR 106           HD2      TYR 106 -12.315   1.674 -23.867
  805    HE1  TYR 106           HE1      TYR 106 -12.458   1.448 -28.838
  806    HE2  TYR 106           HE2      TYR 106 -13.640  -0.101 -24.983
  807    HH   TYR 106           HH       TYR 106 -14.319  -1.016 -26.999
  808    H    SER 107           H        SER 107  -8.881   3.418 -22.197
  809    HA   SER 107           HA       SER 107  -8.231   0.501 -21.963
  810    HB2  SER 107           HB2      SER 107  -7.565   2.872 -20.183
  811    HB3  SER 107           HB3      SER 107  -7.038   1.205 -19.934
  812    HG   SER 107           HG       SER 107  -6.409   2.817 -22.228
  813    H    ILE 108           H        ILE 108 -10.940   2.268 -21.405
  814    HA   ILE 108           HA       ILE 108 -12.766   2.322 -20.122
  815    HB   ILE 108           HB       ILE 108 -13.799   0.334 -19.401
  816   HG12  ILE 108          HG12      ILE 108 -11.348  -1.340 -20.051
  817   HG13  ILE 108          HG13      ILE 108 -11.755  -0.827 -18.407
  818   HG21  ILE 108          HG21      ILE 108 -13.940  -0.781 -21.550
  819   HG22  ILE 108          HG22      ILE 108 -13.713   0.949 -21.813
  820   HG23  ILE 108          HG23      ILE 108 -12.346  -0.170 -22.031
  821   HD11  ILE 108          HD11      ILE 108 -13.955  -1.973 -18.602
  822   HD12  ILE 108          HD12      ILE 108 -13.481  -2.569 -20.205
  823   HD13  ILE 108          HD13      ILE 108 -12.572  -3.071 -18.774
  824    H    VAL 109           H        VAL 109 -10.075   1.180 -18.256
  825    HA   VAL 109           HA       VAL 109 -10.882   3.016 -16.065
  826    HB   VAL 109           HB       VAL 109 -10.102   1.476 -14.329
  827   HG11  VAL 109          HG11      VAL 109 -12.019  -0.014 -14.227
  828   HG12  VAL 109          HG12      VAL 109 -12.529   1.553 -14.884
  829   HG13  VAL 109          HG13      VAL 109 -12.312   0.156 -15.960
  830   HG21  VAL 109          HG21      VAL 109  -8.582   0.012 -15.596
  831   HG22  VAL 109          HG22      VAL 109  -9.798  -0.931 -14.731
  832   HG23  VAL 109          HG23      VAL 109  -9.960  -0.681 -16.483
  833    H    SER 110           H        SER 110  -9.100   4.018 -15.028
  834    HA   SER 110           HA       SER 110  -6.884   4.436 -16.737
  835    HB2  SER 110           HB2      SER 110  -7.267   5.282 -13.844
  836    HB3  SER 110           HB3      SER 110  -6.077   5.948 -14.981
  837    HG   SER 110           HG       SER 110  -7.853   7.267 -15.066
  838    H    ARG 111           H        ARG 111  -7.140   1.846 -14.546
  839    HA   ARG 111           HA       ARG 111  -4.596   1.622 -13.425
  840    HB2  ARG 111           HB2      ARG 111  -6.389  -0.635 -14.418
  841    HB3  ARG 111           HB3      ARG 111  -5.001  -0.822 -13.333
  842    HG2  ARG 111           HG2      ARG 111  -6.114   0.833 -11.764
  843    HG3  ARG 111           HG3      ARG 111  -7.563   0.730 -12.767
  844    HD2  ARG 111           HD2      ARG 111  -7.715  -1.699 -12.335
  845    HD3  ARG 111           HD3      ARG 111  -6.254  -1.643 -11.348
  846    HE   ARG 111           HE       ARG 111  -8.936  -0.875 -10.568
  847   HH11  ARG 111          HH11      ARG 111  -5.528  -0.346  -9.704
  848   HH12  ARG 111          HH12      ARG 111  -5.967   0.553  -8.264
  849   HH21  ARG 111          HH21      ARG 111  -9.351   0.323  -8.646
  850   HH22  ARG 111          HH22      ARG 111  -7.993   1.086  -7.842
  851    H    ASN 112           H        ASN 112  -5.406   0.990 -16.796
  852    HA   ASN 112           HA       ASN 112  -3.039  -0.361 -17.553
  853    HB2  ASN 112           HB2      ASN 112  -5.190  -0.021 -18.873
  854    HB3  ASN 112           HB3      ASN 112  -4.619   1.608 -19.246
  855   HD21  ASN 112          HD22      ASN 112  -4.489   1.192 -21.519
  856   HD22  ASN 112          HD21      ASN 112  -3.262   0.118 -22.181
  857    H    CYS 113           H        CYS 113  -3.345   3.019 -16.614
  858    HA   CYS 113           HA       CYS 113  -1.002   4.076 -17.878
  859    HB2  CYS 113           HB2      CYS 113  -2.243   4.753 -15.164
  860    HB3  CYS 113           HB3      CYS 113  -1.041   5.733 -16.041
  861    HG   CYS 113           HG       CYS 113  -4.185   4.999 -16.737
  862    H    GLU 114           H        GLU 114  -1.316   1.909 -15.061
  863    HA   GLU 114           HA       GLU 114   1.378   2.091 -14.120
  864    HB2  GLU 114           HB2      GLU 114  -0.484   0.927 -12.923
  865    HB3  GLU 114           HB3      GLU 114  -0.435  -0.357 -14.128
  866    HG2  GLU 114           HG2      GLU 114   1.904  -0.869 -13.520
  867    HG3  GLU 114           HG3      GLU 114   1.929   0.495 -12.401
  868    H    HIS 115           H        HIS 115  -0.094  -0.302 -16.432
  869    HA   HIS 115           HA       HIS 115   2.297  -1.503 -17.302
  870    HB2  HIS 115           HB2      HIS 115  -0.117  -0.932 -19.068
  871    HB3  HIS 115           HB3      HIS 115   1.033  -2.249 -19.229
  872    HD1  HIS 115           HD1      HIS 115  -2.225  -2.449 -18.838
  873    HD2  HIS 115           HD2      HIS 115   0.835  -3.258 -16.061
  874    HE1  HIS 115           HE1      HIS 115  -3.216  -4.070 -17.128
  875    H    PHE 116           H        PHE 116   0.859   1.587 -18.414
  876    HA   PHE 116           HA       PHE 116   2.744   2.012 -20.534
  877    HB2  PHE 116           HB2      PHE 116   0.842   3.375 -20.601
  878    HB3  PHE 116           HB3      PHE 116   0.962   3.818 -18.904
  879    HD1  PHE 116           HD2      PHE 116   2.968   4.102 -22.070
  880    HD2  PHE 116           HD1      PHE 116   1.840   5.917 -18.329
  881    HE1  PHE 116           HE2      PHE 116   4.401   6.044 -22.574
  882    HE2  PHE 116           HE1      PHE 116   3.307   7.861 -18.834
  883    HZ   PHE 116           HZ       PHE 116   4.609   7.916 -20.950
  884    H    VAL 117           H        VAL 117   2.801   3.188 -17.080
  885    HA   VAL 117           HA       VAL 117   5.376   4.405 -17.590
  886    HB   VAL 117           HB       VAL 117   5.573   4.930 -15.248
  887   HG11  VAL 117          HG11      VAL 117   4.282   6.406 -16.726
  888   HG12  VAL 117          HG12      VAL 117   2.789   5.532 -16.286
  889   HG13  VAL 117          HG13      VAL 117   3.689   6.436 -15.067
  890   HG21  VAL 117          HG21      VAL 117   4.517   2.895 -14.240
  891   HG22  VAL 117          HG22      VAL 117   3.879   4.411 -13.595
  892   HG23  VAL 117          HG23      VAL 117   2.939   3.488 -14.784
  893    H    THR 118           H        THR 118   4.571   1.158 -16.328
  894    HA   THR 118           HA       THR 118   7.205   0.581 -15.271
  895    HB   THR 118           HB       THR 118   6.476  -1.813 -15.547
  896    HG1  THR 118           HG1      THR 118   4.425  -2.192 -16.323
  897   HG21  THR 118          HG21      THR 118   4.448   0.033 -14.205
  898   HG22  THR 118          HG22      THR 118   4.635  -1.703 -13.896
  899   HG23  THR 118          HG23      THR 118   5.941  -0.585 -13.468
  900    H    GLN 119           H        GLN 119   5.755   0.015 -18.475
  901    HA   GLN 119           HA       GLN 119   7.982  -1.316 -19.612
  902    HB2  GLN 119           HB2      GLN 119   5.715   0.301 -20.827
  903    HB3  GLN 119           HB3      GLN 119   6.957  -0.463 -21.820
  904    HG2  GLN 119           HG2      GLN 119   6.423  -2.682 -20.889
  905    HG3  GLN 119           HG3      GLN 119   5.185  -1.982 -19.849
  906   HE21  GLN 119          HE22      GLN 119   3.339  -0.859 -20.965
  907   HE22  GLN 119          HE21      GLN 119   2.845  -1.452 -22.561
  908    H    LEU 120           H        LEU 120   7.596   2.136 -19.000
  909    HA   LEU 120           HA       LEU 120   9.698   3.042 -20.766
  910    HB2  LEU 120           HB2      LEU 120   8.852   4.218 -18.082
  911    HB3  LEU 120           HB3      LEU 120   9.746   5.047 -19.352
  912    HG   LEU 120           HG       LEU 120   6.874   4.053 -19.587
  913   HD11  LEU 120          HD11      LEU 120   6.239   6.393 -19.465
  914   HD12  LEU 120          HD12      LEU 120   7.141   5.924 -18.020
  915   HD13  LEU 120          HD13      LEU 120   7.935   6.872 -19.293
  916   HD21  LEU 120          HD21      LEU 120   6.828   5.462 -21.653
  917   HD22  LEU 120          HD22      LEU 120   8.595   5.658 -21.520
  918   HD23  LEU 120          HD23      LEU 120   7.885   4.056 -21.803
  919    H    ARG 121           H        ARG 121   9.785   1.492 -17.614
  920    HA   ARG 121           HA       ARG 121  12.737   1.822 -17.365
  921    HB2  ARG 121           HB2      ARG 121  11.264   2.245 -15.420
  922    HB3  ARG 121           HB3      ARG 121  10.688   0.575 -15.479
  923    HG2  ARG 121           HG2      ARG 121  12.985  -0.247 -15.068
  924    HG3  ARG 121           HG3      ARG 121  13.607   1.403 -15.059
  925    HD2  ARG 121           HD2      ARG 121  11.534   0.366 -13.073
  926    HD3  ARG 121           HD3      ARG 121  13.278   0.279 -12.824
  927    HE   ARG 121           HE       ARG 121  11.956   2.925 -13.326
  928   HH11  ARG 121          HH11      ARG 121  13.829   0.900 -11.075
  929   HH12  ARG 121          HH12      ARG 121  14.135   2.237 -10.012
  930   HH21  ARG 121          HH21      ARG 121  12.368   4.583 -11.870
  931   HH22  ARG 121          HH22      ARG 121  13.315   4.269 -10.447
  932    H    TYR 122           H        TYR 122  10.332  -0.894 -17.436
  933    HA   TYR 122           HA       TYR 122  12.345  -2.936 -17.574
  934    HB2  TYR 122           HB2      TYR 122  10.139  -3.340 -16.688
  935    HB3  TYR 122           HB3      TYR 122   9.377  -2.898 -18.211
  936    HD1  TYR 122           HD1      TYR 122  11.980  -5.332 -16.939
  937    HD2  TYR 122           HD2      TYR 122   8.637  -4.645 -19.585
  938    HE1  TYR 122           HE1      TYR 122  12.081  -7.698 -17.685
  939    HE2  TYR 122           HE2      TYR 122   8.735  -7.018 -20.324
  940    HH   TYR 122           HH       TYR 122   9.806  -9.050 -20.110
  941    H    GLY 123           H        GLY 123  10.616  -1.215 -20.160
  942    HA2  GLY 123           HA2      GLY 123  11.745  -2.940 -22.303
  943    HA3  GLY 123           HA3      GLY 123  10.427  -1.751 -22.440
  944    H    LYS 124           H        LYS 124  13.347  -0.783 -20.760
  945    HA   LYS 124           HA       LYS 124  13.818   1.440 -22.429
  946    HB2  LYS 124           HB2      LYS 124  15.724   1.855 -21.060
  947    HB3  LYS 124           HB3      LYS 124  14.498   1.144 -20.043
  948    HG2  LYS 124           HG2      LYS 124  16.322  -0.056 -19.316
  949    HG3  LYS 124           HG3      LYS 124  15.779  -1.136 -20.597
  950    HD2  LYS 124           HD2      LYS 124  17.445   0.441 -22.059
  951    HD3  LYS 124           HD3      LYS 124  18.175   0.720 -20.493
  952    HE2  LYS 124           HE2      LYS 124  18.617  -1.680 -20.219
  953    HE3  LYS 124           HE3      LYS 124  17.610  -2.066 -21.629
  954    HZ1  LYS 124           HZ1      LYS 124  20.191  -0.590 -21.731
  955    HZ2  LYS 124           HZ2      LYS 124  19.917  -2.106 -22.273
  956    HZ3  LYS 124           HZ3      LYS 124  19.200  -0.829 -23.020
  957    H    SER 125           H        SER 125  15.469   1.976 -23.910
  958    HA   SER 125           HA       SER 125  15.727   0.391 -26.132
  959    HB2  SER 125           HB2      SER 125  17.679   2.548 -25.251
  960    HB3  SER 125           HB3      SER 125  17.380   1.999 -26.910
  961    HG   SER 125           HG       SER 125  15.265   2.815 -26.782
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1   6.610  14.239  18.187
    2    H2   MET   1           H2       MET   1   5.679  14.080  16.857
    3    H3   MET   1           H3       MET   1   7.277  13.739  16.782
    4    HA   MET   1           HA       MET   1   6.103  16.397  17.298
    5    HB2  MET   1           HB2      MET   1   8.263  16.074  18.457
    6    HB3  MET   1           HB3      MET   1   9.055  15.711  16.926
    7    HG2  MET   1           HG2      MET   1   8.436  17.991  16.100
    8    HG3  MET   1           HG3      MET   1   7.677  18.337  17.655
    9    HE1  MET   1           HE1      MET   1   9.664  17.308  19.896
   10    HE2  MET   1           HE2      MET   1  10.672  18.756  20.089
   11    HE3  MET   1           HE3      MET   1   8.923  18.928  19.839
   12    H    ALA   2           H        ALA   2   8.584  15.321  14.881
   13    HA   ALA   2           HA       ALA   2   6.767  15.713  12.617
   14    HB1  ALA   2           HB1      ALA   2   9.056  17.662  13.187
   15    HB2  ALA   2           HB2      ALA   2   8.088  17.618  11.701
   16    HB3  ALA   2           HB3      ALA   2   7.322  18.050  13.237
   17    H    SER   3           H        SER   3   7.985  15.479  10.513
   18    HA   SER   3           HA       SER   3  10.570  14.121  10.543
   19    HB2  SER   3           HB2      SER   3   8.959  12.322  11.224
   20    HB3  SER   3           HB3      SER   3   8.098  12.565   9.693
   21    HG   SER   3           HG       SER   3   9.666  10.838   9.607
   22    HA   PRO   4           HA       PRO   4  10.615  15.992   6.475
   23    HB2  PRO   4           HB2      PRO   4  12.262  13.609   5.637
   24    HB3  PRO   4           HB3      PRO   4  12.568  15.350   5.347
   25    HG2  PRO   4           HG2      PRO   4  13.915  14.048   7.303
   26    HG3  PRO   4           HG3      PRO   4  13.243  15.688   7.613
   27    HD2  PRO   4           HD2      PRO   4  12.075  13.000   8.389
   28    HD3  PRO   4           HD3      PRO   4  12.254  14.491   9.367
   29    H    HIS   5           H        HIS   5   9.700  15.818   4.383
   30    HA   HIS   5           HA       HIS   5   7.721  13.651   4.046
   31    HB2  HIS   5           HB2      HIS   5   7.246  16.154   3.813
   32    HB3  HIS   5           HB3      HIS   5   8.157  16.108   2.306
   33    HD1  HIS   5           HD1      HIS   5   6.906  14.711   0.244
   34    HD2  HIS   5           HD2      HIS   5   4.812  15.098   3.884
   35    HE1  HIS   5           HE1      HIS   5   4.493  14.075  -0.247
   36    H    GLN   6           H        GLN   6   7.465  12.488   2.015
   37    HA   GLN   6           HA       GLN   6   9.918  11.555   0.781
   38    HB2  GLN   6           HB2      GLN   6   7.867  10.175   1.134
   39    HB3  GLN   6           HB3      GLN   6   6.992  11.191  -0.022
   40    HG2  GLN   6           HG2      GLN   6   8.528  10.459  -1.835
   41    HG3  GLN   6           HG3      GLN   6   9.439   9.487  -0.682
   42   HE21  GLN   6          HE22      GLN   6   8.452   7.436   0.074
   43   HE22  GLN   6          HE21      GLN   6   7.034   6.810  -0.754
   44    H    GLU   7           H        GLU   7  10.818  12.090  -1.222
   45    HA   GLU   7           HA       GLU   7   9.428  14.096  -2.917
   46    HB2  GLU   7           HB2      GLU   7  11.115  15.247  -1.511
   47    HB3  GLU   7           HB3      GLU   7  12.367  14.175  -2.155
   48    HG2  GLU   7           HG2      GLU   7  11.849  15.049  -4.465
   49    HG3  GLU   7           HG3      GLU   7  10.710  16.184  -3.729
   50    HA   PRO   8           HA       PRO   8  10.707  10.953  -5.902
   51    HB2  PRO   8           HB2      PRO   8   9.714  12.013  -8.189
   52    HB3  PRO   8           HB3      PRO   8   8.658  11.371  -6.897
   53    HG2  PRO   8           HG2      PRO   8   9.416  14.254  -7.397
   54    HG3  PRO   8           HG3      PRO   8   7.794  13.554  -7.093
   55    HD2  PRO   8           HD2      PRO   8   9.325  14.701  -5.112
   56    HD3  PRO   8           HD3      PRO   8   8.208  13.338  -4.798
   57    H    LYS   9           H        LYS   9  12.330  10.597  -7.313
   58    HA   LYS   9           HA       LYS   9  14.017  12.866  -8.271
   59    HB2  LYS   9           HB2      LYS   9  14.824  10.149  -7.128
   60    HB3  LYS   9           HB3      LYS   9  15.951  11.172  -8.001
   61    HG2  LYS   9           HG2      LYS   9  14.596  11.816  -5.363
   62    HG3  LYS   9           HG3      LYS   9  16.307  11.465  -5.659
   63    HD2  LYS   9           HD2      LYS   9  16.333  13.568  -7.169
   64    HD3  LYS   9           HD3      LYS   9  14.744  13.951  -6.484
   65    HE2  LYS   9           HE2      LYS   9  15.858  13.608  -4.153
   66    HE3  LYS   9           HE3      LYS   9  17.399  13.668  -5.008
   67    HZ1  LYS   9           HZ1      LYS   9  16.896  15.853  -4.253
   68    HZ2  LYS   9           HZ2      LYS   9  16.617  15.915  -5.861
   69    HZ3  LYS   9           HZ3      LYS   9  15.359  15.820  -4.782
   70    HA   PRO  10           HA       PRO  10  13.800  11.765 -12.401
   71    HB2  PRO  10           HB2      PRO  10  16.747  11.060 -12.349
   72    HB3  PRO  10           HB3      PRO  10  15.841  11.956 -13.607
   73    HG2  PRO  10           HG2      PRO  10  17.212  13.346 -11.778
   74    HG3  PRO  10           HG3      PRO  10  15.527  13.836 -12.159
   75    HD2  PRO  10           HD2      PRO  10  16.540  12.249  -9.804
   76    HD3  PRO  10           HD3      PRO  10  15.324  13.559  -9.848
   77    H    GLY  11           H        GLY  11  12.825  10.042 -13.296
   78    HA2  GLY  11           HA2      GLY  11  12.703   7.883 -14.226
   79    HA3  GLY  11           HA3      GLY  11  14.003   7.317 -13.152
   80    H    ASP  12           H        ASP  12  12.095   8.842 -10.970
   81    HA   ASP  12           HA       ASP  12  11.018   6.434  -9.941
   82    HB2  ASP  12           HB2      ASP  12  10.559   9.343  -9.244
   83    HB3  ASP  12           HB3      ASP  12   9.720   8.043  -8.424
   84    H    LEU  13           H        LEU  13   9.059   5.588  -9.731
   85    HA   LEU  13           HA       LEU  13   6.922   6.358 -11.644
   86    HB2  LEU  13           HB2      LEU  13   7.253   3.981  -9.751
   87    HB3  LEU  13           HB3      LEU  13   5.904   4.200 -10.857
   88    HG   LEU  13           HG       LEU  13   8.827   3.847 -11.691
   89   HD11  LEU  13          HD11      LEU  13   6.473   1.908 -11.842
   90   HD12  LEU  13          HD12      LEU  13   8.116   1.619 -12.457
   91   HD13  LEU  13          HD13      LEU  13   7.843   1.791 -10.714
   92   HD21  LEU  13          HD21      LEU  13   7.483   5.192 -13.325
   93   HD22  LEU  13          HD22      LEU  13   7.917   3.596 -13.964
   94   HD23  LEU  13          HD23      LEU  13   6.274   3.900 -13.350
   95    H    ILE  14           H        ILE  14   5.227   7.488 -11.049
   96    HA   ILE  14           HA       ILE  14   4.747   8.043  -8.133
   97    HB   ILE  14           HB       ILE  14   3.687   9.587 -10.531
   98   HG12  ILE  14          HG12      ILE  14   6.084   9.886 -10.651
   99   HG13  ILE  14          HG13      ILE  14   5.320  11.362 -10.093
  100   HG21  ILE  14          HG21      ILE  14   3.247  11.358  -8.829
  101   HG22  ILE  14          HG22      ILE  14   2.365   9.861  -8.497
  102   HG23  ILE  14          HG23      ILE  14   3.810  10.251  -7.554
  103   HD11  ILE  14          HD11      ILE  14   6.031  10.889  -7.765
  104   HD12  ILE  14          HD12      ILE  14   6.763   9.352  -8.304
  105   HD13  ILE  14          HD13      ILE  14   7.405  10.896  -8.875
  106    H    GLU  15           H        GLU  15   2.906   7.294  -7.274
  107    HA   GLU  15           HA       GLU  15   0.754   6.146  -9.009
  108    HB2  GLU  15           HB2      GLU  15   1.879   4.500  -7.584
  109    HB3  GLU  15           HB3      GLU  15   1.646   5.524  -6.160
  110    HG2  GLU  15           HG2      GLU  15  -0.751   5.191  -6.233
  111    HG3  GLU  15           HG3      GLU  15  -0.640   4.373  -7.800
  112    H    ILE  16           H        ILE  16  -1.142   7.203  -8.950
  113    HA   ILE  16           HA       ILE  16  -1.562   9.369  -6.914
  114    HB   ILE  16           HB       ILE  16  -2.322   9.429  -9.859
  115   HG12  ILE  16          HG12      ILE  16   0.049  10.812  -8.537
  116   HG13  ILE  16          HG13      ILE  16   0.162   9.436  -9.633
  117   HG21  ILE  16          HG21      ILE  16  -2.250  11.619  -7.723
  118   HG22  ILE  16          HG22      ILE  16  -2.812  11.805  -9.400
  119   HG23  ILE  16          HG23      ILE  16  -3.714  10.790  -8.286
  120   HD11  ILE  16          HD11      ILE  16  -0.832  12.193 -10.402
  121   HD12  ILE  16          HD12      ILE  16   0.686  11.403 -10.870
  122   HD13  ILE  16          HD13      ILE  16  -0.860  10.756 -11.453
  123    H    PHE  17           H        PHE  17  -3.303   9.082  -5.749
  124    HA   PHE  17           HA       PHE  17  -5.342   7.084  -6.494
  125    HB2  PHE  17           HB2      PHE  17  -4.861   8.609  -3.910
  126    HB3  PHE  17           HB3      PHE  17  -6.002   7.286  -4.139
  127    HD1  PHE  17           HD1      PHE  17  -5.037   5.005  -4.964
  128    HD2  PHE  17           HD2      PHE  17  -2.626   8.139  -3.229
  129    HE1  PHE  17           HE1      PHE  17  -3.248   3.358  -4.462
  130    HE2  PHE  17           HE2      PHE  17  -0.853   6.481  -2.712
  131    HZ   PHE  17           HZ       PHE  17  -1.169   4.089  -3.329
  132    H    ARG  18           H        ARG  18  -5.845   8.712  -8.284
  133    HA   ARG  18           HA       ARG  18  -7.592  10.951  -7.719
  134    HB2  ARG  18           HB2      ARG  18  -6.410  10.535  -9.887
  135    HB3  ARG  18           HB3      ARG  18  -7.449   9.145 -10.181
  136    HG2  ARG  18           HG2      ARG  18  -9.434  10.628 -10.256
  137    HG3  ARG  18           HG3      ARG  18  -8.418  12.021  -9.852
  138    HD2  ARG  18           HD2      ARG  18  -7.128  11.586 -11.985
  139    HD3  ARG  18           HD3      ARG  18  -8.328  10.329 -12.372
  140    HE   ARG  18           HE       ARG  18  -9.674  12.766 -11.734
  141   HH11  ARG  18          HH21      ARG  18  -7.795  11.395 -14.421
  142   HH12  ARG  18          HH22      ARG  18  -8.413  12.572 -15.544
  143   HH21  ARG  18          HH11      ARG  18 -10.478  14.176 -13.259
  144   HH22  ARG  18          HH12      ARG  18  -9.941  14.096 -14.906
  145    H    LEU  19           H        LEU  19  -9.893  11.018  -7.841
  146    HA   LEU  19           HA       LEU  19 -11.342   9.021  -6.474
  147    HB2  LEU  19           HB2      LEU  19 -12.004  11.399  -6.641
  148    HB3  LEU  19           HB3      LEU  19 -12.294  11.208  -8.369
  149    HG   LEU  19           HG       LEU  19 -14.162   9.638  -7.885
  150   HD11  LEU  19          HD11      LEU  19 -13.468   8.711  -5.710
  151   HD12  LEU  19          HD12      LEU  19 -13.602  10.319  -4.961
  152   HD13  LEU  19          HD13      LEU  19 -15.049   9.479  -5.559
  153   HD21  LEU  19          HD21      LEU  19 -14.580  12.053  -8.180
  154   HD22  LEU  19          HD22      LEU  19 -15.719  11.340  -7.021
  155   HD23  LEU  19          HD23      LEU  19 -14.354  12.318  -6.439
  156    H    GLY  20           H        GLY  20 -12.319   7.143  -7.081
  157    HA2  GLY  20           HA2      GLY  20 -13.121   5.421  -8.471
  158    HA3  GLY  20           HA3      GLY  20 -12.878   6.449  -9.897
  159    H    TYR  21           H        TYR  21 -11.380   5.615 -11.212
  160    HA   TYR  21           HA       TYR  21  -9.438   3.650 -10.486
  161    HB2  TYR  21           HB2      TYR  21  -9.382   5.437 -12.938
  162    HB3  TYR  21           HB3      TYR  21  -8.673   3.844 -12.754
  163    HD1  TYR  21           HD2      TYR  21 -10.149   1.801 -12.713
  164    HD2  TYR  21           HD1      TYR  21 -11.708   5.749 -13.509
  165    HE1  TYR  21           HE2      TYR  21 -12.214   0.795 -13.679
  166    HE2  TYR  21           HE1      TYR  21 -13.777   4.749 -14.434
  167    HH   TYR  21           HH       TYR  21 -14.880   2.818 -14.983
  168    H    GLU  22           H        GLU  22  -7.305   3.789  -9.889
  169    HA   GLU  22           HA       GLU  22  -6.024   6.267  -9.217
  170    HB2  GLU  22           HB2      GLU  22  -4.589   3.672  -9.860
  171    HB3  GLU  22           HB3      GLU  22  -4.050   4.992  -8.839
  172    HG2  GLU  22           HG2      GLU  22  -4.677   3.578  -7.197
  173    HG3  GLU  22           HG3      GLU  22  -6.253   4.319  -7.433
  174    H    HIS  23           H        HIS  23  -3.959   7.034 -10.180
  175    HA   HIS  23           HA       HIS  23  -3.612   6.618 -13.115
  176    HB2  HIS  23           HB2      HIS  23  -3.896   9.286 -11.665
  177    HB3  HIS  23           HB3      HIS  23  -3.077   9.132 -13.209
  178    HD1  HIS  23           HD1      HIS  23  -6.238   7.050 -12.950
  179    HD2  HIS  23           HD2      HIS  23  -4.912  10.800 -14.284
  180    HE1  HIS  23           HE1      HIS  23  -8.124   8.014 -14.374
  181    H    TRP  24           H        TRP  24  -1.368   7.399 -13.796
  182    HA   TRP  24           HA       TRP  24   0.640   7.326 -11.596
  183    HB2  TRP  24           HB2      TRP  24   0.599   5.418 -13.968
  184    HB3  TRP  24           HB3      TRP  24   1.911   5.596 -12.808
  185    HD1  TRP  24           HD1      TRP  24   1.758   4.397 -10.543
  186    HE1  TRP  24           HE1      TRP  24   0.151   2.667  -9.516
  187    HE3  TRP  24           HE3      TRP  24  -2.034   4.706 -13.937
  188    HZ2  TRP  24           HZ2      TRP  24  -2.466   1.633 -10.059
  189    HZ3  TRP  24           HZ3      TRP  24  -4.088   3.314 -13.685
  190    HH2  TRP  24           HH2      TRP  24  -4.312   1.771 -11.759
  191    H    ALA  25           H        ALA  25   2.825   7.804 -12.310
  192    HA   ALA  25           HA       ALA  25   3.167   9.017 -14.976
  193    HB1  ALA  25           HB1      ALA  25   3.725  11.208 -14.231
  194    HB2  ALA  25           HB2      ALA  25   2.157  10.837 -13.503
  195    HB3  ALA  25           HB3      ALA  25   3.634  10.759 -12.517
  196    H    LEU  26           H        LEU  26   5.303   9.423 -15.579
  197    HA   LEU  26           HA       LEU  26   7.479   8.179 -13.953
  198    HB2  LEU  26           HB2      LEU  26   6.921   7.564 -16.431
  199    HB3  LEU  26           HB3      LEU  26   7.541   9.136 -16.865
  200    HG   LEU  26           HG       LEU  26   9.193   7.478 -17.292
  201   HD11  LEU  26          HD11      LEU  26  10.165   8.844 -14.759
  202   HD12  LEU  26          HD12      LEU  26  11.124   8.266 -16.135
  203   HD13  LEU  26          HD13      LEU  26  10.018   9.634 -16.344
  204   HD21  LEU  26          HD21      LEU  26   9.083   6.631 -14.360
  205   HD22  LEU  26          HD22      LEU  26   8.354   5.734 -15.716
  206   HD23  LEU  26          HD23      LEU  26  10.113   5.948 -15.625
  207    H    TYR  27           H        TYR  27   8.528   9.657 -12.665
  208    HA   TYR  27           HA       TYR  27   8.324  12.545 -13.226
  209    HB2  TYR  27           HB2      TYR  27   8.055  11.674 -10.960
  210    HB3  TYR  27           HB3      TYR  27   9.678  10.993 -10.989
  211    HD1  TYR  27           HD1      TYR  27   7.693  14.106 -10.704
  212    HD2  TYR  27           HD2      TYR  27  11.644  12.421 -10.803
  213    HE1  TYR  27           HE1      TYR  27   8.618  16.233  -9.814
  214    HE2  TYR  27           HE2      TYR  27  12.568  14.510  -9.807
  215    HH   TYR  27           HH       TYR  27  12.092  16.632  -9.018
  216    H    ILE  28           H        ILE  28   9.789  13.843 -14.151
  217    HA   ILE  28           HA       ILE  28  12.285  12.487 -15.159
  218    HB   ILE  28           HB       ILE  28  12.131  13.827 -17.121
  219   HG12  ILE  28          HG12      ILE  28   9.538  15.045 -16.093
  220   HG13  ILE  28          HG13      ILE  28  11.098  15.884 -16.094
  221   HG21  ILE  28          HG21      ILE  28   9.345  12.656 -16.657
  222   HG22  ILE  28          HG22      ILE  28  10.284  12.737 -18.160
  223   HG23  ILE  28          HG23      ILE  28  10.801  11.666 -16.868
  224   HD11  ILE  28          HD11      ILE  28   9.882  16.575 -18.045
  225   HD12  ILE  28          HD12      ILE  28  11.216  15.532 -18.585
  226   HD13  ILE  28          HD13      ILE  28   9.553  14.899 -18.522
  227    H    GLY  29           H        GLY  29  11.672  14.576 -12.763
  228    HA2  GLY  29           HA2      GLY  29  13.366  15.783 -11.551
  229    HA3  GLY  29           HA3      GLY  29  14.310  15.966 -13.036
  230    H    ASP  30           H        ASP  30  14.020  18.110 -11.528
  231    HA   ASP  30           HA       ASP  30  13.510  20.293 -11.499
  232    HB2  ASP  30           HB2      ASP  30  14.259  19.892 -13.897
  233    HB3  ASP  30           HB3      ASP  30  12.558  19.948 -14.360
  234    H    GLY  31           H        GLY  31  11.244  18.329 -10.906
  235    HA2  GLY  31           HA2      GLY  31   9.153  18.656  -9.914
  236    HA3  GLY  31           HA3      GLY  31   9.049  20.285 -10.621
  237    H    TYR  32           H        TYR  32   9.880  18.122 -13.100
  238    HA   TYR  32           HA       TYR  32   7.067  18.164 -14.065
  239    HB2  TYR  32           HB2      TYR  32   9.756  18.075 -15.433
  240    HB3  TYR  32           HB3      TYR  32   8.308  17.554 -16.277
  241    HD1  TYR  32           HD2      TYR  32   9.877  20.488 -14.590
  242    HD2  TYR  32           HD1      TYR  32   6.683  19.084 -17.121
  243    HE1  TYR  32           HE2      TYR  32   9.280  22.839 -15.137
  244    HE2  TYR  32           HE1      TYR  32   6.099  21.428 -17.695
  245    HH   TYR  32           HH       TYR  32   6.621  23.669 -17.417
  246    H    VAL  33           H        VAL  33   6.103  16.490 -15.184
  247    HA   VAL  33           HA       VAL  33   7.159  13.723 -14.787
  248    HB   VAL  33           HB       VAL  33   4.816  13.000 -14.307
  249   HG11  VAL  33          HG11      VAL  33   6.011  14.793 -12.188
  250   HG12  VAL  33          HG12      VAL  33   4.789  13.527 -11.932
  251   HG13  VAL  33          HG13      VAL  33   6.400  13.080 -12.485
  252   HG21  VAL  33          HG21      VAL  33   3.150  14.508 -13.444
  253   HG22  VAL  33          HG22      VAL  33   4.239  15.898 -13.613
  254   HG23  VAL  33          HG23      VAL  33   3.624  15.070 -15.057
  255    H    ILE  34           H        ILE  34   6.349  12.181 -16.196
  256    HA   ILE  34           HA       ILE  34   4.751  13.123 -18.562
  257    HB   ILE  34           HB       ILE  34   7.138  11.250 -18.382
  258   HG12  ILE  34          HG12      ILE  34   6.400  13.652 -20.123
  259   HG13  ILE  34          HG13      ILE  34   7.480  13.680 -18.738
  260   HG21  ILE  34          HG21      ILE  34   5.440   9.991 -19.634
  261   HG22  ILE  34          HG22      ILE  34   5.035  11.417 -20.613
  262   HG23  ILE  34          HG23      ILE  34   6.609  10.617 -20.787
  263   HD11  ILE  34          HD11      ILE  34   8.816  13.722 -20.720
  264   HD12  ILE  34          HD12      ILE  34   9.041  12.138 -19.958
  265   HD13  ILE  34          HD13      ILE  34   8.000  12.304 -21.387
  266    H    HIS  35           H        HIS  35   2.918  11.936 -19.039
  267    HA   HIS  35           HA       HIS  35   2.230   9.588 -17.343
  268    HB2  HIS  35           HB2      HIS  35   0.240  10.907 -16.471
  269    HB3  HIS  35           HB3      HIS  35   1.797  11.431 -15.857
  270    HD1  HIS  35           HD1      HIS  35  -1.152  12.798 -17.795
  271    HD2  HIS  35           HD2      HIS  35   2.835  13.788 -16.921
  272    HE1  HIS  35           HE1      HIS  35  -0.849  15.249 -18.436
  273    H    LEU  36           H        LEU  36   0.402   8.419 -18.118
  274    HA   LEU  36           HA       LEU  36  -0.592   9.171 -20.822
  275    HB2  LEU  36           HB2      LEU  36   0.177   6.828 -20.357
  276    HB3  LEU  36           HB3      LEU  36  -1.065   6.696 -19.109
  277    HG   LEU  36           HG       LEU  36  -2.756   7.204 -20.995
  278   HD11  LEU  36          HD11      LEU  36  -0.420   6.280 -22.728
  279   HD12  LEU  36          HD12      LEU  36  -2.069   6.630 -23.275
  280   HD13  LEU  36          HD13      LEU  36  -1.045   7.939 -22.684
  281   HD21  LEU  36          HD21      LEU  36  -2.727   4.829 -21.754
  282   HD22  LEU  36          HD22      LEU  36  -1.166   4.609 -20.936
  283   HD23  LEU  36          HD23      LEU  36  -2.628   5.010 -20.002
  284    H    ALA  37           H        ALA  37  -2.568  10.119 -21.085
  285    HA   ALA  37           HA       ALA  37  -4.111  10.742 -18.605
  286    HB1  ALA  37           HB1      ALA  37  -4.649  12.852 -19.795
  287    HB2  ALA  37           HB2      ALA  37  -2.891  12.620 -19.685
  288    HB3  ALA  37           HB3      ALA  37  -3.733  12.293 -21.214
  289    HA   PRO  38           HA       PRO  38  -7.561   8.701 -20.603
  290    HB2  PRO  38           HB2      PRO  38  -9.646   9.526 -19.046
  291    HB3  PRO  38           HB3      PRO  38  -8.350   8.454 -18.412
  292    HG2  PRO  38           HG2      PRO  38  -8.539  11.473 -18.153
  293    HG3  PRO  38           HG3      PRO  38  -8.305  10.256 -16.853
  294    HD2  PRO  38           HD2      PRO  38  -6.202  11.550 -18.004
  295    HD3  PRO  38           HD3      PRO  38  -6.081   9.828 -17.530
  296    HA   PRO  39           HA       PRO  39  -9.309  11.656 -23.456
  297    HB2  PRO  39           HB2      PRO  39 -11.788  10.610 -24.047
  298    HB3  PRO  39           HB3      PRO  39 -10.243   9.926 -24.634
  299    HG2  PRO  39           HG2      PRO  39 -11.880   9.065 -22.231
  300    HG3  PRO  39           HG3      PRO  39 -11.149   8.026 -23.495
  301    HD2  PRO  39           HD2      PRO  39  -9.954   8.387 -21.104
  302    HD3  PRO  39           HD3      PRO  39  -8.990   8.287 -22.609
  303    H    SER  40           H        SER  40 -10.361  13.602 -23.344
  304    HA   SER  40           HA       SER  40 -11.559  14.346 -20.794
  305    HB2  SER  40           HB2      SER  40 -11.466  16.622 -21.793
  306    HB3  SER  40           HB3      SER  40  -9.917  15.764 -21.829
  307    HG   SER  40           HG       SER  40 -10.417  16.829 -23.848
  308    H    GLU  41           H        GLU  41 -12.933  13.153 -23.632
  309    HA   GLU  41           HA       GLU  41 -15.658  13.810 -22.846
  310    HB2  GLU  41           HB2      GLU  41 -14.939  15.834 -24.137
  311    HB3  GLU  41           HB3      GLU  41 -14.583  14.799 -25.527
  312    HG2  GLU  41           HG2      GLU  41 -16.930  14.227 -25.764
  313    HG3  GLU  41           HG3      GLU  41 -17.319  14.950 -24.197
  314    H    TYR  42           H        TYR  42 -17.124  12.382 -23.740
  315    HA   TYR  42           HA       TYR  42 -18.022  10.621 -24.805
  316    HB2  TYR  42           HB2      TYR  42 -15.510  10.200 -26.380
  317    HB3  TYR  42           HB3      TYR  42 -17.078   9.492 -26.662
  318    HD1  TYR  42           HD2      TYR  42 -19.090  11.209 -26.968
  319    HD2  TYR  42           HD1      TYR  42 -14.924  12.120 -27.600
  320    HE1  TYR  42           HE2      TYR  42 -19.730  13.091 -28.467
  321    HE2  TYR  42           HE1      TYR  42 -15.559  14.006 -29.098
  322    HH   TYR  42           HH       TYR  42 -18.990  14.802 -29.823
  323    HA   PRO  43           HA       PRO  43 -15.640   7.063 -22.794
  324    HB2  PRO  43           HB2      PRO  43 -14.816   7.458 -20.229
  325    HB3  PRO  43           HB3      PRO  43 -13.754   7.747 -21.636
  326    HG2  PRO  43           HG2      PRO  43 -15.403   9.773 -20.105
  327    HG3  PRO  43           HG3      PRO  43 -13.677   9.883 -20.572
  328    HD2  PRO  43           HD2      PRO  43 -15.652  11.052 -22.008
  329    HD3  PRO  43           HD3      PRO  43 -14.217  10.334 -22.819
  330    H    GLY  44           H        GLY  44 -16.940   5.597 -21.637
  331    HA2  GLY  44           HA2      GLY  44 -18.503   4.880 -20.054
  332    HA3  GLY  44           HA3      GLY  44 -18.746   6.550 -19.522
  333    H    ALA  45           H        ALA  45 -19.072   6.382 -22.881
  334    HA   ALA  45           HA       ALA  45 -21.856   7.025 -22.851
  335    HB1  ALA  45           HB1      ALA  45 -21.602   7.003 -25.311
  336    HB2  ALA  45           HB2      ALA  45 -20.240   7.833 -24.543
  337    HB3  ALA  45           HB3      ALA  45 -20.039   6.175 -25.157
  338    H    GLY  46           H        GLY  46 -23.540   5.946 -24.121
  339    HA2  GLY  46           HA2      GLY  46 -24.721   4.016 -24.884
  340    HA3  GLY  46           HA3      GLY  46 -23.510   2.966 -24.110
  341    H    SER  47           H        SER  47 -25.361   1.809 -23.242
  342    HA   SER  47           HA       SER  47 -27.176   3.015 -21.346
  343    HB2  SER  47           HB2      SER  47 -26.420   0.093 -21.705
  344    HB3  SER  47           HB3      SER  47 -27.857   0.722 -20.882
  345    HG   SER  47           HG       SER  47 -28.312   0.070 -23.064
  346    H    SER  48           H        SER  48 -23.921   1.953 -20.980
  347    HA   SER  48           HA       SER  48 -24.016   1.512 -18.060
  348    HB2  SER  48           HB2      SER  48 -21.725   1.554 -20.052
  349    HB3  SER  48           HB3      SER  48 -21.605   1.040 -18.360
  350    HG   SER  48           HG       SER  48 -21.871  -0.761 -19.806
  351    H    SER  49           H        SER  49 -21.561   2.695 -17.254
  352    HA   SER  49           HA       SER  49 -21.538   5.526 -18.029
  353    HB2  SER  49           HB2      SER  49 -23.220   5.419 -16.185
  354    HB3  SER  49           HB3      SER  49 -21.969   4.754 -15.123
  355    HG   SER  49           HG       SER  49 -22.244   7.120 -15.011
  356    H    VAL  50           H        VAL  50 -19.727   6.612 -16.519
  357    HA   VAL  50           HA       VAL  50 -17.347   5.387 -17.491
  358    HB   VAL  50           HB       VAL  50 -16.044   7.041 -16.153
  359   HG11  VAL  50          HG11      VAL  50 -16.830   7.569 -18.405
  360   HG12  VAL  50          HG12      VAL  50 -18.351   8.215 -17.751
  361   HG13  VAL  50          HG13      VAL  50 -16.805   9.012 -17.383
  362   HG21  VAL  50          HG21      VAL  50 -18.752   8.050 -15.167
  363   HG22  VAL  50          HG22      VAL  50 -17.506   7.279 -14.169
  364   HG23  VAL  50          HG23      VAL  50 -17.178   8.836 -14.936
  365    H    PHE  51           H        PHE  51 -18.921   4.971 -14.389
  366    HA   PHE  51           HA       PHE  51 -16.669   3.716 -13.030
  367    HB2  PHE  51           HB2      PHE  51 -18.530   4.920 -11.897
  368    HB3  PHE  51           HB3      PHE  51 -19.663   3.698 -12.458
  369    HD1  PHE  51           HD1      PHE  51 -16.608   4.225 -10.347
  370    HD2  PHE  51           HD2      PHE  51 -19.987   1.683 -11.203
  371    HE1  PHE  51           HE1      PHE  51 -16.118   2.882  -8.311
  372    HE2  PHE  51           HE2      PHE  51 -19.485   0.335  -9.180
  373    HZ   PHE  51           HZ       PHE  51 -17.554   0.933  -7.730
  374    H    SER  52           H        SER  52 -19.245   2.556 -15.177
  375    HA   SER  52           HA       SER  52 -18.522  -0.293 -14.621
  376    HB2  SER  52           HB2      SER  52 -20.720  -0.742 -15.750
  377    HB3  SER  52           HB3      SER  52 -20.790   0.103 -14.202
  378    HG   SER  52           HG       SER  52 -22.171   1.173 -15.536
  379    H    VAL  53           H        VAL  53 -18.185   2.130 -17.125
  380    HA   VAL  53           HA       VAL  53 -16.626   0.158 -18.661
  381    HB   VAL  53           HB       VAL  53 -19.059   0.169 -19.538
  382   HG11  VAL  53          HG11      VAL  53 -18.233   2.802 -20.825
  383   HG12  VAL  53          HG12      VAL  53 -19.742   1.921 -21.055
  384   HG13  VAL  53          HG13      VAL  53 -19.386   2.667 -19.484
  385   HG21  VAL  53          HG21      VAL  53 -18.383  -0.059 -21.849
  386   HG22  VAL  53          HG22      VAL  53 -16.884   0.836 -21.557
  387   HG23  VAL  53          HG23      VAL  53 -17.139  -0.756 -20.802
  388    H    LEU  54           H        LEU  54 -15.040   1.086 -20.025
  389    HA   LEU  54           HA       LEU  54 -14.837   4.062 -20.116
  390    HB2  LEU  54           HB2      LEU  54 -12.589   2.055 -19.651
  391    HB3  LEU  54           HB3      LEU  54 -12.319   3.736 -20.105
  392    HG   LEU  54           HG       LEU  54 -13.683   2.833 -17.527
  393   HD11  LEU  54          HD11      LEU  54 -11.296   2.243 -17.589
  394   HD12  LEU  54          HD12      LEU  54 -10.874   3.903 -18.067
  395   HD13  LEU  54          HD13      LEU  54 -11.560   3.581 -16.464
  396   HD21  LEU  54          HD21      LEU  54 -12.812   5.604 -18.485
  397   HD22  LEU  54          HD22      LEU  54 -14.479   5.067 -18.182
  398   HD23  LEU  54          HD23      LEU  54 -13.350   5.216 -16.837
  399    H    SER  55           H        SER  55 -13.881   4.906 -22.027
  400    HA   SER  55           HA       SER  55 -13.408   3.214 -24.331
  401    HB2  SER  55           HB2      SER  55 -15.382   4.016 -25.615
  402    HB3  SER  55           HB3      SER  55 -15.795   2.940 -24.277
  403    HG   SER  55           HG       SER  55 -17.170   4.822 -24.416
  404    H    ASN  56           H        ASN  56 -12.921   4.396 -26.245
  405    HA   ASN  56           HA       ASN  56 -11.972   5.988 -27.503
  406    HB2  ASN  56           HB2      ASN  56 -12.375   8.113 -25.383
  407    HB3  ASN  56           HB3      ASN  56 -11.921   8.341 -27.055
  408   HD21  ASN  56          HD22      ASN  56 -14.549   7.366 -24.904
  409   HD22  ASN  56          HD21      ASN  56 -15.851   7.867 -25.980
  410    H    SER  57           H        SER  57  -9.856   7.067 -27.724
  411    HA   SER  57           HA       SER  57  -7.926   5.504 -26.282
  412    HB2  SER  57           HB2      SER  57  -7.531   7.698 -28.338
  413    HB3  SER  57           HB3      SER  57  -6.296   6.546 -27.797
  414    HG   SER  57           HG       SER  57  -7.416   5.891 -29.774
  415    H    ALA  58           H        ALA  58  -6.124   6.076 -25.102
  416    HA   ALA  58           HA       ALA  58  -6.185   8.617 -23.518
  417    HB1  ALA  58           HB1      ALA  58  -4.655   7.398 -22.068
  418    HB2  ALA  58           HB2      ALA  58  -6.099   6.420 -22.352
  419    HB3  ALA  58           HB3      ALA  58  -4.585   6.034 -23.205
  420    H    GLU  59           H        GLU  59  -4.248   9.899 -23.346
  421    HA   GLU  59           HA       GLU  59  -2.356   9.646 -25.668
  422    HB2  GLU  59           HB2      GLU  59  -4.057  11.543 -25.823
  423    HB3  GLU  59           HB3      GLU  59  -3.269  12.266 -24.407
  424    HG2  GLU  59           HG2      GLU  59  -1.118  12.331 -25.657
  425    HG3  GLU  59           HG3      GLU  59  -1.883  11.564 -27.044
  426    H    VAL  60           H        VAL  60  -0.154   9.854 -25.187
  427    HA   VAL  60           HA       VAL  60   0.622  10.098 -22.339
  428    HB   VAL  60           HB       VAL  60   2.408   9.923 -24.769
  429   HG11  VAL  60          HG11      VAL  60   4.159   9.270 -23.118
  430   HG12  VAL  60          HG12      VAL  60   3.517  10.860 -22.710
  431   HG13  VAL  60          HG13      VAL  60   2.970   9.455 -21.799
  432   HG21  VAL  60          HG21      VAL  60   2.748   7.548 -24.173
  433   HG22  VAL  60          HG22      VAL  60   1.553   7.693 -22.867
  434   HG23  VAL  60          HG23      VAL  60   1.054   7.844 -24.566
  435    H    LYS  61           H        LYS  61   1.092  11.941 -21.394
  436    HA   LYS  61           HA       LYS  61   1.728  14.412 -22.967
  437    HB2  LYS  61           HB2      LYS  61  -0.315  13.943 -20.759
  438    HB3  LYS  61           HB3      LYS  61   0.218  15.560 -21.242
  439    HG2  LYS  61           HG2      LYS  61  -0.589  15.160 -23.548
  440    HG3  LYS  61           HG3      LYS  61  -1.157  13.542 -23.087
  441    HD2  LYS  61           HD2      LYS  61  -2.666  14.482 -21.427
  442    HD3  LYS  61           HD3      LYS  61  -2.106  16.121 -21.761
  443    HE2  LYS  61           HE2      LYS  61  -3.658  14.290 -23.656
  444    HE3  LYS  61           HE3      LYS  61  -4.319  15.638 -22.727
  445    HZ1  LYS  61           HZ1      LYS  61  -3.921  16.452 -24.898
  446    HZ2  LYS  61           HZ2      LYS  61  -2.710  17.097 -24.008
  447    HZ3  LYS  61           HZ3      LYS  61  -2.437  15.798 -25.009
  448    H    ARG  62           H        ARG  62   2.690  16.127 -21.692
  449    HA   ARG  62           HA       ARG  62   4.242  15.260 -19.274
  450    HB2  ARG  62           HB2      ARG  62   5.646  15.615 -21.333
  451    HB3  ARG  62           HB3      ARG  62   5.025  17.259 -21.452
  452    HG2  ARG  62           HG2      ARG  62   6.056  17.740 -19.174
  453    HG3  ARG  62           HG3      ARG  62   6.707  16.101 -19.176
  454    HD2  ARG  62           HD2      ARG  62   8.450  17.605 -19.867
  455    HD3  ARG  62           HD3      ARG  62   7.960  16.654 -21.282
  456    HE   ARG  62           HE       ARG  62   6.523  19.189 -21.047
  457   HH11  ARG  62          HH11      ARG  62   9.644  17.920 -22.174
  458   HH12  ARG  62          HH12      ARG  62   9.857  19.223 -23.296
  459   HH21  ARG  62          HH21      ARG  62   6.866  20.821 -22.540
  460   HH22  ARG  62          HH22      ARG  62   8.319  20.852 -23.483
  461    H    GLU  63           H        GLU  63   4.088  16.606 -17.495
  462    HA   GLU  63           HA       GLU  63   3.539  19.431 -17.697
  463    HB2  GLU  63           HB2      GLU  63   1.252  17.651 -17.196
  464    HB3  GLU  63           HB3      GLU  63   1.505  18.725 -15.849
  465    HG2  GLU  63           HG2      GLU  63   1.044  19.537 -18.724
  466    HG3  GLU  63           HG3      GLU  63  -0.065  19.707 -17.377
  467    H    ARG  64           H        ARG  64   3.139  20.282 -15.283
  468    HA   ARG  64           HA       ARG  64   5.406  19.383 -13.682
  469    HB2  ARG  64           HB2      ARG  64   3.217  21.427 -13.172
  470    HB3  ARG  64           HB3      ARG  64   4.540  21.084 -12.040
  471    HG2  ARG  64           HG2      ARG  64   6.199  21.639 -13.821
  472    HG3  ARG  64           HG3      ARG  64   4.868  22.077 -14.908
  473    HD2  ARG  64           HD2      ARG  64   4.153  23.844 -13.322
  474    HD3  ARG  64           HD3      ARG  64   5.490  23.397 -12.234
  475    HE   ARG  64           HE       ARG  64   6.501  23.930 -14.864
  476   HH11  ARG  64          HH11      ARG  64   5.269  25.739 -12.074
  477   HH12  ARG  64          HH12      ARG  64   6.168  27.164 -12.495
  478   HH21  ARG  64          HH21      ARG  64   7.611  25.783 -15.349
  479   HH22  ARG  64          HH22      ARG  64   7.488  27.186 -14.331
  480    H    LEU  65           H        LEU  65   5.418  18.327 -11.754
  481    HA   LEU  65           HA       LEU  65   3.621  16.225 -11.245
  482    HB2  LEU  65           HB2      LEU  65   5.921  16.343 -10.356
  483    HB3  LEU  65           HB3      LEU  65   5.496  17.721  -9.355
  484    HG   LEU  65           HG       LEU  65   3.914  16.277  -8.045
  485   HD11  LEU  65          HD11      LEU  65   4.006  13.839  -8.272
  486   HD12  LEU  65          HD12      LEU  65   3.442  14.551  -9.790
  487   HD13  LEU  65          HD13      LEU  65   5.123  13.972  -9.639
  488   HD21  LEU  65          HD21      LEU  65   6.790  15.302  -8.228
  489   HD22  LEU  65          HD22      LEU  65   6.193  16.665  -7.257
  490   HD23  LEU  65          HD23      LEU  65   5.682  15.015  -6.863
  491    H    GLU  66           H        GLU  66   3.720  19.369  -9.492
  492    HA   GLU  66           HA       GLU  66   1.552  18.977  -7.770
  493    HB2  GLU  66           HB2      GLU  66   1.989  21.679  -9.071
  494    HB3  GLU  66           HB3      GLU  66   1.459  21.294  -7.434
  495    HG2  GLU  66           HG2      GLU  66   3.793  20.348  -7.046
  496    HG3  GLU  66           HG3      GLU  66   4.209  21.009  -8.645
  497    H    ASP  67           H        ASP  67   1.482  20.323 -11.083
  498    HA   ASP  67           HA       ASP  67  -1.296  20.784 -11.177
  499    HB2  ASP  67           HB2      ASP  67   0.336  21.747 -12.766
  500    HB3  ASP  67           HB3      ASP  67   0.596  20.147 -13.473
  501    H    VAL  68           H        VAL  68   0.609  17.939 -12.185
  502    HA   VAL  68           HA       VAL  68  -1.605  16.455 -13.195
  503    HB   VAL  68           HB       VAL  68   1.212  15.645 -12.456
  504   HG11  VAL  68          HG11      VAL  68  -0.916  13.898 -13.777
  505   HG12  VAL  68          HG12      VAL  68   0.823  13.529 -13.730
  506   HG13  VAL  68          HG13      VAL  68  -0.097  13.587 -12.230
  507   HG21  VAL  68          HG21      VAL  68   1.407  15.511 -14.947
  508   HG22  VAL  68          HG22      VAL  68  -0.272  16.036 -15.103
  509   HG23  VAL  68          HG23      VAL  68   0.944  17.124 -14.409
  510    H    VAL  69           H        VAL  69   0.074  16.241  -9.958
  511    HA   VAL  69           HA       VAL  69  -1.793  14.268  -9.025
  512    HB   VAL  69           HB       VAL  69  -0.726  14.443  -6.931
  513   HG11  VAL  69          HG11      VAL  69   1.326  14.620  -9.142
  514   HG12  VAL  69          HG12      VAL  69   1.619  14.000  -7.514
  515   HG13  VAL  69          HG13      VAL  69   0.469  13.177  -8.581
  516   HG21  VAL  69          HG21      VAL  69  -0.495  16.760  -6.450
  517   HG22  VAL  69          HG22      VAL  69   1.154  16.112  -6.512
  518   HG23  VAL  69          HG23      VAL  69   0.505  17.028  -7.876
  519    H    GLY  70           H        GLY  70  -2.331  17.520  -9.603
  520    HA2  GLY  70           HA2      GLY  70  -3.410  18.617  -7.313
  521    HA3  GLY  70           HA3      GLY  70  -3.928  19.043  -8.947
  522    H    GLY  71           H        GLY  71  -5.169  18.425  -6.108
  523    HA2  GLY  71           HA2      GLY  71  -7.308  17.914  -5.393
  524    HA3  GLY  71           HA3      GLY  71  -7.739  17.422  -7.047
  525    H    CYS  72           H        CYS  72  -4.995  15.708  -6.207
  526    HA   CYS  72           HA       CYS  72  -6.544  13.304  -5.279
  527    HB2  CYS  72           HB2      CYS  72  -4.201  13.400  -7.239
  528    HB3  CYS  72           HB3      CYS  72  -5.165  11.987  -6.806
  529    HG   CYS  72           HG       CYS  72  -6.148  14.770  -8.351
  530    H    CYS  73           H        CYS  73  -5.270  11.705  -4.119
  531    HA   CYS  73           HA       CYS  73  -2.916  12.768  -2.615
  532    HB2  CYS  73           HB2      CYS  73  -4.568  10.207  -2.329
  533    HB3  CYS  73           HB3      CYS  73  -3.141  10.593  -1.355
  534    HG   CYS  73           HG       CYS  73  -5.890  12.447  -1.721
  535    H    TYR  74           H        TYR  74  -0.865  11.511  -2.628
  536    HA   TYR  74           HA       TYR  74  -0.466   9.585  -4.775
  537    HB2  TYR  74           HB2      TYR  74   0.930  10.864  -6.208
  538    HB3  TYR  74           HB3      TYR  74  -0.515  11.816  -5.976
  539    HD1  TYR  74           HD2      TYR  74  -0.449  13.784  -4.303
  540    HD2  TYR  74           HD1      TYR  74   3.087  11.731  -5.687
  541    HE1  TYR  74           HE2      TYR  74   0.952  15.705  -3.583
  542    HE2  TYR  74           HE1      TYR  74   4.486  13.651  -4.970
  543    HH   TYR  74           HH       TYR  74   4.518  15.757  -3.996
  544    H    ARG  75           H        ARG  75   1.763   8.858  -5.058
  545    HA   ARG  75           HA       ARG  75   3.807   9.513  -3.077
  546    HB2  ARG  75           HB2      ARG  75   3.939   7.338  -2.001
  547    HB3  ARG  75           HB3      ARG  75   2.336   8.010  -1.751
  548    HG2  ARG  75           HG2      ARG  75   1.449   6.553  -3.587
  549    HG3  ARG  75           HG3      ARG  75   3.063   5.867  -3.807
  550    HD2  ARG  75           HD2      ARG  75   3.036   5.042  -1.468
  551    HD3  ARG  75           HD3      ARG  75   1.394   5.695  -1.270
  552    HE   ARG  75           HE       ARG  75   1.397   4.023  -3.580
  553   HH11  ARG  75          HH11      ARG  75   1.694   3.534  -0.068
  554   HH12  ARG  75          HH12      ARG  75   1.057   1.919  -0.187
  555   HH21  ARG  75          HH21      ARG  75   0.626   2.114  -3.664
  556   HH22  ARG  75          HH22      ARG  75   0.427   1.082  -2.243
  557    H    VAL  76           H        VAL  76   5.810   8.267  -3.399
  558    HA   VAL  76           HA       VAL  76   6.268   7.429  -6.212
  559    HB   VAL  76           HB       VAL  76   8.172   7.515  -3.830
  560   HG11  VAL  76          HG11      VAL  76   8.958   5.775  -5.349
  561   HG12  VAL  76          HG12      VAL  76   8.725   6.836  -6.760
  562   HG13  VAL  76          HG13      VAL  76   9.975   7.199  -5.557
  563   HG21  VAL  76          HG21      VAL  76   9.197   9.413  -4.990
  564   HG22  VAL  76          HG22      VAL  76   8.014   9.272  -6.309
  565   HG23  VAL  76          HG23      VAL  76   7.495   9.764  -4.679
  566    H    ASN  77           H        ASN  77   6.379   5.304  -6.841
  567    HA   ASN  77           HA       ASN  77   6.514   3.133  -4.834
  568    HB2  ASN  77           HB2      ASN  77   4.121   3.756  -4.988
  569    HB3  ASN  77           HB3      ASN  77   4.139   3.411  -6.717
  570   HD21  ASN  77          HD22      ASN  77   2.275   2.031  -5.412
  571   HD22  ASN  77          HD21      ASN  77   2.780   0.366  -5.139
  572    H    ASN  78           H        ASN  78   8.584   3.064  -5.865
  573    HA   ASN  78           HA       ASN  78   8.869   2.077  -8.604
  574    HB2  ASN  78           HB2      ASN  78  10.853   2.386  -6.311
  575    HB3  ASN  78           HB3      ASN  78  11.282   1.906  -7.949
  576   HD21  ASN  78          HD22      ASN  78  12.519   4.090  -6.807
  577   HD22  ASN  78          HD21      ASN  78  12.006   5.518  -7.696
  578    H    SER  79           H        SER  79   7.149   0.279  -7.790
  579    HA   SER  79           HA       SER  79   7.936  -1.760  -6.005
  580    HB2  SER  79           HB2      SER  79   5.626  -1.306  -6.800
  581    HB3  SER  79           HB3      SER  79   6.040  -1.990  -8.381
  582    HG   SER  79           HG       SER  79   5.000  -3.515  -6.924
  583    H    LEU  80           H        LEU  80   8.379  -1.642  -9.549
  584    HA   LEU  80           HA       LEU  80   9.453  -4.292  -9.756
  585    HB2  LEU  80           HB2      LEU  80   9.821  -2.024 -11.745
  586    HB3  LEU  80           HB3      LEU  80   9.997  -3.758 -12.019
  587    HG   LEU  80           HG       LEU  80   7.410  -2.254 -11.512
  588   HD11  LEU  80          HD11      LEU  80   8.470  -3.837 -13.900
  589   HD12  LEU  80          HD12      LEU  80   6.852  -3.121 -13.773
  590   HD13  LEU  80          HD13      LEU  80   8.286  -2.072 -13.795
  591   HD21  LEU  80          HD21      LEU  80   6.276  -4.458 -11.831
  592   HD22  LEU  80          HD22      LEU  80   7.859  -5.262 -11.728
  593   HD23  LEU  80          HD23      LEU  80   7.207  -4.363 -10.331
  594    H    ASP  81           H        ASP  81  10.988  -1.526  -8.481
  595    HA   ASP  81           HA       ASP  81  13.701  -2.058  -9.267
  596    HB2  ASP  81           HB2      ASP  81  12.722  -0.002  -8.044
  597    HB3  ASP  81           HB3      ASP  81  12.767  -1.008  -6.576
  598    H    HIS  82           H        HIS  82  11.568  -3.529  -6.953
  599    HA   HIS  82           HA       HIS  82  13.640  -5.166  -5.647
  600    HB2  HIS  82           HB2      HIS  82  11.545  -4.026  -4.647
  601    HB3  HIS  82           HB3      HIS  82  10.613  -5.327  -5.387
  602    HD1  HIS  82           HD1      HIS  82  12.335  -7.842  -4.596
  603    HD2  HIS  82           HD2      HIS  82  11.557  -4.541  -2.112
  604    HE1  HIS  82           HE1      HIS  82  12.583  -8.679  -2.191
  605    H    GLU  83           H        GLU  83  12.124  -5.315  -8.638
  606    HA   GLU  83           HA       GLU  83  12.019  -8.295  -8.765
  607    HB2  GLU  83           HB2      GLU  83  10.825  -6.195 -10.618
  608    HB3  GLU  83           HB3      GLU  83  10.769  -7.936 -10.873
  609    HG2  GLU  83           HG2      GLU  83   9.492  -6.426  -8.556
  610    HG3  GLU  83           HG3      GLU  83   8.662  -7.080  -9.964
  611    H    TYR  84           H        TYR  84  13.192  -5.425 -10.546
  612    HA   TYR  84           HA       TYR  84  15.281  -7.119 -11.877
  613    HB2  TYR  84           HB2      TYR  84  13.936  -4.725 -13.142
  614    HB3  TYR  84           HB3      TYR  84  14.888  -5.973 -13.924
  615    HD1  TYR  84           HD1      TYR  84  13.898  -8.436 -13.819
  616    HD2  TYR  84           HD2      TYR  84  11.612  -4.857 -13.122
  617    HE1  TYR  84           HE1      TYR  84  11.790  -9.708 -14.200
  618    HE2  TYR  84           HE2      TYR  84   9.501  -6.122 -13.465
  619    HH   TYR  84           HH       TYR  84   8.551  -8.180 -13.959
  620    H    GLN  85           H        GLN  85  17.275  -6.187 -12.428
  621    HA   GLN  85           HA       GLN  85  18.382  -4.323 -10.588
  622    HB2  GLN  85           HB2      GLN  85  19.400  -5.477 -13.210
  623    HB3  GLN  85           HB3      GLN  85  20.391  -4.446 -12.195
  624    HG2  GLN  85           HG2      GLN  85  19.137  -7.071 -11.281
  625    HG3  GLN  85           HG3      GLN  85  20.802  -6.878 -11.814
  626   HE21  GLN  85          HE22      GLN  85  19.589  -7.703  -9.105
  627   HE22  GLN  85          HE21      GLN  85  20.367  -6.603  -7.978
  628    HA   PRO  86           HA       PRO  86  17.330  -0.480 -12.262
  629    HB2  PRO  86           HB2      PRO  86  19.373   1.234 -11.615
  630    HB3  PRO  86           HB3      PRO  86  18.280   0.486 -10.413
  631    HG2  PRO  86           HG2      PRO  86  21.031  -0.454 -11.260
  632    HG3  PRO  86           HG3      PRO  86  20.402  -0.234  -9.600
  633    HD2  PRO  86           HD2      PRO  86  20.430  -2.668 -10.794
  634    HD3  PRO  86           HD3      PRO  86  19.059  -2.171  -9.755
  635    H    ARG  87           H        ARG  87  17.148   0.470 -14.133
  636    HA   ARG  87           HA       ARG  87  19.065   0.042 -16.314
  637    HB2  ARG  87           HB2      ARG  87  16.240   1.095 -15.980
  638    HB3  ARG  87           HB3      ARG  87  17.119   1.493 -17.444
  639    HG2  ARG  87           HG2      ARG  87  15.711  -0.462 -17.711
  640    HG3  ARG  87           HG3      ARG  87  17.414  -0.802 -18.032
  641    HD2  ARG  87           HD2      ARG  87  17.603  -1.974 -15.879
  642    HD3  ARG  87           HD3      ARG  87  15.909  -1.586 -15.497
  643    HE   ARG  87           HE       ARG  87  15.733  -2.799 -17.956
  644   HH11  ARG  87          HH11      ARG  87  17.133  -3.969 -14.913
  645   HH12  ARG  87          HH12      ARG  87  17.145  -5.620 -15.499
  646   HH21  ARG  87          HH21      ARG  87  15.715  -4.848 -18.581
  647   HH22  ARG  87          HH22      ARG  87  16.236  -6.131 -17.524
  648    HA   PRO  88           HA       PRO  88  20.931   4.135 -16.237
  649    HB2  PRO  88           HB2      PRO  88  21.214   4.747 -18.898
  650    HB3  PRO  88           HB3      PRO  88  22.209   3.531 -18.042
  651    HG2  PRO  88           HG2      PRO  88  19.750   3.055 -19.738
  652    HG3  PRO  88           HG3      PRO  88  21.321   2.198 -19.803
  653    HD2  PRO  88           HD2      PRO  88  19.174   1.196 -18.473
  654    HD3  PRO  88           HD3      PRO  88  20.830   1.001 -17.828
  655    H    VAL  89           H        VAL  89  19.713   5.757 -15.467
  656    HA   VAL  89           HA       VAL  89  17.036   6.118 -15.998
  657    HB   VAL  89           HB       VAL  89  18.294   6.919 -14.017
  658   HG11  VAL  89          HG11      VAL  89  18.915   9.436 -15.622
  659   HG12  VAL  89          HG12      VAL  89  19.268   9.137 -13.910
  660   HG13  VAL  89          HG13      VAL  89  20.105   8.196 -15.153
  661   HG21  VAL  89          HG21      VAL  89  16.829   8.795 -13.511
  662   HG22  VAL  89          HG22      VAL  89  16.411   8.977 -15.221
  663   HG23  VAL  89          HG23      VAL  89  15.939   7.505 -14.349
  664    H    GLU  90           H        GLU  90  19.634   7.763 -17.753
  665    HA   GLU  90           HA       GLU  90  18.046   9.658 -19.126
  666    HB2  GLU  90           HB2      GLU  90  19.839   9.759 -20.753
  667    HB3  GLU  90           HB3      GLU  90  20.471   9.719 -19.106
  668    HG2  GLU  90           HG2      GLU  90  20.997   7.272 -19.425
  669    HG3  GLU  90           HG3      GLU  90  20.466   7.419 -21.107
  670    H    VAL  91           H        VAL  91  18.528   6.205 -19.805
  671    HA   VAL  91           HA       VAL  91  17.149   6.280 -22.343
  672    HB   VAL  91           HB       VAL  91  17.692   3.894 -20.552
  673   HG11  VAL  91          HG11      VAL  91  17.329   2.533 -22.603
  674   HG12  VAL  91          HG12      VAL  91  15.852   3.335 -22.054
  675   HG13  VAL  91          HG13      VAL  91  16.746   3.986 -23.446
  676   HG21  VAL  91          HG21      VAL  91  19.508   3.430 -22.207
  677   HG22  VAL  91          HG22      VAL  91  19.135   4.958 -23.030
  678   HG23  VAL  91          HG23      VAL  91  19.769   4.963 -21.368
  679    H    ILE  92           H        ILE  92  16.119   5.667 -18.982
  680    HA   ILE  92           HA       ILE  92  13.378   4.973 -19.572
  681    HB   ILE  92           HB       ILE  92  14.441   6.365 -17.065
  682   HG12  ILE  92          HG12      ILE  92  14.430   3.374 -17.692
  683   HG13  ILE  92          HG13      ILE  92  15.861   4.390 -17.552
  684   HG21  ILE  92          HG21      ILE  92  12.563   5.353 -15.934
  685   HG22  ILE  92          HG22      ILE  92  11.929   6.168 -17.352
  686   HG23  ILE  92          HG23      ILE  92  12.133   4.398 -17.369
  687   HD11  ILE  92          HD11      ILE  92  13.988   3.623 -15.311
  688   HD12  ILE  92          HD12      ILE  92  15.709   3.261 -15.501
  689   HD13  ILE  92          HD13      ILE  92  15.202   4.926 -15.173
  690    H    ILE  93           H        ILE  93  14.859   8.136 -18.735
  691    HA   ILE  93           HA       ILE  93  12.421   9.609 -19.120
  692    HB   ILE  93           HB       ILE  93  15.336  10.395 -18.804
  693   HG12  ILE  93          HG12      ILE  93  12.878  10.776 -17.002
  694   HG13  ILE  93          HG13      ILE  93  13.957   9.387 -16.876
  695   HG21  ILE  93          HG21      ILE  93  14.326  12.207 -20.121
  696   HG22  ILE  93          HG22      ILE  93  12.921  12.269 -19.033
  697   HG23  ILE  93          HG23      ILE  93  14.538  12.764 -18.475
  698   HD11  ILE  93          HD11      ILE  93  14.517  10.943 -15.157
  699   HD12  ILE  93          HD12      ILE  93  15.846  10.925 -16.353
  700   HD13  ILE  93          HD13      ILE  93  14.689  12.281 -16.304
  701    H    SER  94           H        SER  94  15.201   9.070 -21.357
  702    HA   SER  94           HA       SER  94  14.026  10.748 -23.366
  703    HB2  SER  94           HB2      SER  94  15.520   9.639 -24.983
  704    HB3  SER  94           HB3      SER  94  16.360  10.254 -23.555
  705    HG   SER  94           HG       SER  94  16.595   8.228 -22.771
  706    H    SER  95           H        SER  95  13.611   7.289 -22.678
  707    HA   SER  95           HA       SER  95  11.788   6.707 -24.798
  708    HB2  SER  95           HB2      SER  95  12.135   5.579 -22.009
  709    HB3  SER  95           HB3      SER  95  10.898   4.981 -23.131
  710    HG   SER  95           HG       SER  95  13.729   5.014 -23.571
  711    H    ALA  96           H        ALA  96  11.139   7.999 -21.466
  712    HA   ALA  96           HA       ALA  96   8.330   8.223 -21.726
  713    HB1  ALA  96           HB1      ALA  96   9.771   8.456 -19.650
  714    HB2  ALA  96           HB2      ALA  96  10.219  10.076 -20.200
  715    HB3  ALA  96           HB3      ALA  96   8.529   9.702 -19.814
  716    H    LYS  97           H        LYS  97  10.908  10.619 -22.543
  717    HA   LYS  97           HA       LYS  97   9.169  12.644 -23.547
  718    HB2  LYS  97           HB2      LYS  97  12.097  11.975 -24.040
  719    HB3  LYS  97           HB3      LYS  97  11.314  13.404 -24.720
  720    HG2  LYS  97           HG2      LYS  97  10.837  14.311 -22.533
  721    HG3  LYS  97           HG3      LYS  97  11.367  12.827 -21.720
  722    HD2  LYS  97           HD2      LYS  97  13.642  13.123 -22.471
  723    HD3  LYS  97           HD3      LYS  97  13.186  14.499 -23.502
  724    HE2  LYS  97           HE2      LYS  97  12.476  15.767 -21.449
  725    HE3  LYS  97           HE3      LYS  97  13.036  14.422 -20.442
  726    HZ1  LYS  97           HZ1      LYS  97  15.296  14.807 -21.353
  727    HZ2  LYS  97           HZ2      LYS  97  14.753  16.064 -22.250
  728    HZ3  LYS  97           HZ3      LYS  97  14.735  16.157 -20.626
  729    H    GLU  98           H        GLU  98  10.770   9.968 -25.285
  730    HA   GLU  98           HA       GLU  98   9.730  10.662 -27.859
  731    HB2  GLU  98           HB2      GLU  98  10.776   8.053 -26.731
  732    HB3  GLU  98           HB3      GLU  98  10.127   8.181 -28.364
  733    HG2  GLU  98           HG2      GLU  98  11.747  10.016 -28.868
  734    HG3  GLU  98           HG3      GLU  98  12.491   9.763 -27.287
  735    H    MET  99           H        MET  99   8.344   8.726 -25.215
  736    HA   MET  99           HA       MET  99   6.062   7.865 -26.708
  737    HB2  MET  99           HB2      MET  99   6.655   7.961 -23.743
  738    HB3  MET  99           HB3      MET  99   5.143   7.331 -24.415
  739    HG2  MET  99           HG2      MET  99   7.864   6.338 -25.344
  740    HG3  MET  99           HG3      MET  99   7.043   5.619 -23.980
  741    HE1  MET  99           HE1      MET  99   4.206   3.592 -25.392
  742    HE2  MET  99           HE2      MET  99   5.283   3.970 -24.026
  743    HE3  MET  99           HE3      MET  99   4.083   5.172 -24.582
  744    H    VAL 100           H        VAL 100   6.506  10.695 -24.541
  745    HA   VAL 100           HA       VAL 100   3.933  11.781 -24.604
  746    HB   VAL 100           HB       VAL 100   6.524  13.321 -24.915
  747   HG11  VAL 100          HG11      VAL 100   5.234  15.298 -24.074
  748   HG12  VAL 100          HG12      VAL 100   4.701  14.797 -25.682
  749   HG13  VAL 100          HG13      VAL 100   3.734  14.374 -24.254
  750   HG21  VAL 100          HG21      VAL 100   6.158  11.991 -22.791
  751   HG22  VAL 100          HG22      VAL 100   6.312  13.734 -22.548
  752   HG23  VAL 100          HG23      VAL 100   4.713  12.965 -22.495
  753    H    GLY 101           H        GLY 101   2.528  12.453 -25.983
  754    HA2  GLY 101           HA2      GLY 101   1.689  13.498 -27.938
  755    HA3  GLY 101           HA3      GLY 101   3.213  13.170 -28.796
  756    H    GLN 102           H        GLN 102   2.879  10.239 -27.509
  757    HA   GLN 102           HA       GLN 102   1.340   9.195 -29.735
  758    HB2  GLN 102           HB2      GLN 102   2.923   7.712 -27.596
  759    HB3  GLN 102           HB3      GLN 102   2.182   7.010 -29.036
  760    HG2  GLN 102           HG2      GLN 102   3.632   8.494 -30.474
  761    HG3  GLN 102           HG3      GLN 102   4.447   9.057 -29.020
  762   HE21  GLN 102          HE22      GLN 102   6.504   8.096 -28.982
  763   HE22  GLN 102          HE21      GLN 102   6.757   6.388 -29.330
  764    H    LYS 103           H        LYS 103  -0.152   7.348 -29.305
  765    HA   LYS 103           HA       LYS 103  -1.940   7.880 -26.969
  766    HB2  LYS 103           HB2      LYS 103  -2.641   7.497 -29.910
  767    HB3  LYS 103           HB3      LYS 103  -3.832   7.435 -28.602
  768    HG2  LYS 103           HG2      LYS 103  -3.300   9.735 -27.940
  769    HG3  LYS 103           HG3      LYS 103  -2.063   9.841 -29.211
  770    HD2  LYS 103           HD2      LYS 103  -3.804   9.482 -30.939
  771    HD3  LYS 103           HD3      LYS 103  -5.049   9.383 -29.672
  772    HE2  LYS 103           HE2      LYS 103  -4.471  11.678 -28.923
  773    HE3  LYS 103           HE3      LYS 103  -3.214  11.783 -30.152
  774    HZ1  LYS 103           HZ1      LYS 103  -4.957  11.582 -31.861
  775    HZ2  LYS 103           HZ2      LYS 103  -6.127  11.495 -30.717
  776    HZ3  LYS 103           HZ3      LYS 103  -5.253  12.865 -30.891
  777    H    MET 104           H        MET 104  -3.446   6.180 -26.439
  778    HA   MET 104           HA       MET 104  -2.655   3.402 -27.235
  779    HB2  MET 104           HB2      MET 104  -3.020   4.389 -24.365
  780    HB3  MET 104           HB3      MET 104  -2.875   2.696 -24.862
  781    HG2  MET 104           HG2      MET 104  -0.649   3.270 -25.922
  782    HG3  MET 104           HG3      MET 104  -0.766   4.867 -25.175
  783    HE1  MET 104           HE1      MET 104   1.593   2.868 -24.996
  784    HE2  MET 104           HE2      MET 104   1.655   4.413 -24.115
  785    HE3  MET 104           HE3      MET 104   2.043   2.883 -23.281
  786    H    LYS 105           H        LYS 105  -4.227   1.909 -27.296
  787    HA   LYS 105           HA       LYS 105  -6.997   2.829 -27.493
  788    HB2  LYS 105           HB2      LYS 105  -5.658   0.115 -27.902
  789    HB3  LYS 105           HB3      LYS 105  -7.371   0.434 -28.186
  790    HG2  LYS 105           HG2      LYS 105  -6.790   2.154 -29.878
  791    HG3  LYS 105           HG3      LYS 105  -5.070   1.800 -29.641
  792    HD2  LYS 105           HD2      LYS 105  -5.450  -0.554 -30.367
  793    HD3  LYS 105           HD3      LYS 105  -7.174  -0.218 -30.535
  794    HE2  LYS 105           HE2      LYS 105  -6.289  -0.149 -32.732
  795    HE3  LYS 105           HE3      LYS 105  -6.656   1.512 -32.281
  796    HZ1  LYS 105           HZ1      LYS 105  -4.267   1.840 -31.839
  797    HZ2  LYS 105           HZ2      LYS 105  -3.938   0.281 -32.224
  798    HZ3  LYS 105           HZ3      LYS 105  -4.486   1.310 -33.367
  799    H    TYR 106           H        TYR 106  -8.758   1.436 -26.609
  800    HA   TYR 106           HA       TYR 106  -8.384   0.965 -23.675
  801    HB2  TYR 106           HB2      TYR 106 -10.721   1.557 -23.460
  802    HB3  TYR 106           HB3      TYR 106  -9.797   2.843 -24.214
  803    HD1  TYR 106           HD1      TYR 106 -10.050   3.330 -26.676
  804    HD2  TYR 106           HD2      TYR 106 -12.562   0.493 -24.625
  805    HE1  TYR 106           HE1      TYR 106 -11.664   3.400 -28.563
  806    HE2  TYR 106           HE2      TYR 106 -14.197   0.582 -26.490
  807    HH   TYR 106           HH       TYR 106 -14.713   1.491 -28.562
  808    H    SER 107           H        SER 107  -9.910  -0.626 -22.717
  809    HA   SER 107           HA       SER 107 -10.733  -2.717 -22.380
  810    HB2  SER 107           HB2      SER 107 -11.194  -2.825 -25.379
  811    HB3  SER 107           HB3      SER 107 -11.804  -3.971 -24.184
  812    HG   SER 107           HG       SER 107 -13.385  -2.379 -24.643
  813    H    ILE 108           H        ILE 108  -8.340  -2.584 -24.965
  814    HA   ILE 108           HA       ILE 108  -7.391  -5.198 -25.037
  815    HB   ILE 108           HB       ILE 108  -6.797  -3.425 -26.594
  816   HG12  ILE 108          HG12      ILE 108  -4.266  -4.546 -25.335
  817   HG13  ILE 108          HG13      ILE 108  -5.379  -5.467 -26.357
  818   HG21  ILE 108          HG21      ILE 108  -5.203  -1.649 -26.130
  819   HG22  ILE 108          HG22      ILE 108  -6.496  -1.534 -24.954
  820   HG23  ILE 108          HG23      ILE 108  -4.934  -2.241 -24.488
  821   HD11  ILE 108          HD11      ILE 108  -3.742  -3.040 -27.202
  822   HD12  ILE 108          HD12      ILE 108  -3.515  -4.726 -27.697
  823   HD13  ILE 108          HD13      ILE 108  -4.963  -3.843 -28.215
  824    H    VAL 109           H        VAL 109  -6.649  -2.836 -22.549
  825    HA   VAL 109           HA       VAL 109  -5.781  -4.941 -20.731
  826    HB   VAL 109           HB       VAL 109  -3.794  -3.787 -19.897
  827   HG11  VAL 109          HG11      VAL 109  -3.505  -5.653 -21.504
  828   HG12  VAL 109          HG12      VAL 109  -3.382  -4.460 -22.825
  829   HG13  VAL 109          HG13      VAL 109  -2.176  -4.488 -21.528
  830   HG21  VAL 109          HG21      VAL 109  -2.601  -2.079 -21.221
  831   HG22  VAL 109          HG22      VAL 109  -3.962  -1.990 -22.352
  832   HG23  VAL 109          HG23      VAL 109  -4.172  -1.500 -20.658
  833    H    SER 110           H        SER 110  -5.838  -4.201 -18.454
  834    HA   SER 110           HA       SER 110  -8.037  -2.307 -18.092
  835    HB2  SER 110           HB2      SER 110  -7.900  -3.133 -15.729
  836    HB3  SER 110           HB3      SER 110  -8.154  -4.390 -16.954
  837    HG   SER 110           HG       SER 110  -6.549  -5.050 -15.451
  838    H    ARG 111           H        ARG 111  -4.944  -2.594 -16.283
  839    HA   ARG 111           HA       ARG 111  -5.106   0.217 -15.451
  840    HB2  ARG 111           HB2      ARG 111  -3.196  -2.050 -14.761
  841    HB3  ARG 111           HB3      ARG 111  -3.062  -0.406 -14.109
  842    HG2  ARG 111           HG2      ARG 111  -5.269  -0.517 -13.133
  843    HG3  ARG 111           HG3      ARG 111  -5.561  -2.125 -13.820
  844    HD2  ARG 111           HD2      ARG 111  -3.909  -3.142 -12.422
  845    HD3  ARG 111           HD3      ARG 111  -3.260  -1.578 -11.921
  846    HE   ARG 111           HE       ARG 111  -5.908  -2.731 -11.131
  847   HH11  ARG 111          HH11      ARG 111  -3.316  -0.403 -10.358
  848   HH12  ARG 111          HH12      ARG 111  -4.344   0.341  -9.120
  849   HH21  ARG 111          HH21      ARG 111  -7.026  -1.654  -9.417
  850   HH22  ARG 111          HH22      ARG 111  -6.210  -0.285  -8.657
  851    H    ASN 112           H        ASN 112  -4.973   0.437 -18.014
  852    HA   ASN 112           HA       ASN 112  -2.667   0.130 -19.469
  853    HB2  ASN 112           HB2      ASN 112  -4.923   0.662 -20.323
  854    HB3  ASN 112           HB3      ASN 112  -4.771   2.317 -19.739
  855   HD21  ASN 112          HD22      ASN 112  -2.097   0.509 -21.451
  856   HD22  ASN 112          HD21      ASN 112  -2.147   1.593 -22.818
  857    H    CYS 113           H        CYS 113  -3.366   3.079 -17.498
  858    HA   CYS 113           HA       CYS 113  -0.923   4.431 -18.308
  859    HB2  CYS 113           HB2      CYS 113  -2.904   5.625 -17.546
  860    HB3  CYS 113           HB3      CYS 113  -2.829   4.875 -15.949
  861    HG   CYS 113           HG       CYS 113  -1.918   7.557 -16.422
  862    H    GLU 114           H        GLU 114  -1.607   2.258 -15.554
  863    HA   GLU 114           HA       GLU 114   0.959   2.442 -14.288
  864    HB2  GLU 114           HB2      GLU 114  -1.154   1.308 -13.390
  865    HB3  GLU 114           HB3      GLU 114  -0.810  -0.026 -14.478
  866    HG2  GLU 114           HG2      GLU 114   1.463  -0.240 -13.353
  867    HG3  GLU 114           HG3      GLU 114   0.894   0.934 -12.163
  868    H    HIS 115           H        HIS 115  -0.338   0.060 -16.673
  869    HA   HIS 115           HA       HIS 115   2.110  -1.278 -17.210
  870    HB2  HIS 115           HB2      HIS 115  -0.205  -0.831 -19.142
  871    HB3  HIS 115           HB3      HIS 115   0.975  -2.137 -19.189
  872    HD1  HIS 115           HD1      HIS 115   0.697  -3.098 -16.079
  873    HD2  HIS 115           HD2      HIS 115  -2.379  -2.239 -18.815
  874    HE1  HIS 115           HE1      HIS 115  -1.346  -4.389 -15.293
  875    H    PHE 116           H        PHE 116   0.911   1.772 -18.619
  876    HA   PHE 116           HA       PHE 116   2.964   2.016 -20.600
  877    HB2  PHE 116           HB2      PHE 116   1.144   3.458 -20.880
  878    HB3  PHE 116           HB3      PHE 116   1.101   3.913 -19.193
  879    HD1  PHE 116           HD2      PHE 116   3.525   4.119 -22.076
  880    HD2  PHE 116           HD1      PHE 116   1.873   6.026 -18.584
  881    HE1  PHE 116           HE2      PHE 116   4.922   6.112 -22.496
  882    HE2  PHE 116           HE1      PHE 116   3.309   8.013 -18.998
  883    HZ   PHE 116           HZ       PHE 116   4.830   8.059 -20.961
  884    H    VAL 117           H        VAL 117   2.773   3.415 -17.241
  885    HA   VAL 117           HA       VAL 117   5.400   4.523 -17.569
  886    HB   VAL 117           HB       VAL 117   5.450   5.069 -15.214
  887   HG11  VAL 117          HG11      VAL 117   3.614   6.641 -15.197
  888   HG12  VAL 117          HG12      VAL 117   4.362   6.581 -16.787
  889   HG13  VAL 117          HG13      VAL 117   2.797   5.767 -16.497
  890   HG21  VAL 117          HG21      VAL 117   4.205   3.049 -14.322
  891   HG22  VAL 117          HG22      VAL 117   3.705   4.601 -13.663
  892   HG23  VAL 117          HG23      VAL 117   2.708   3.803 -14.898
  893    H    THR 118           H        THR 118   4.464   1.324 -16.254
  894    HA   THR 118           HA       THR 118   7.054   0.744 -15.092
  895    HB   THR 118           HB       THR 118   6.297  -1.637 -15.312
  896    HG1  THR 118           HG1      THR 118   4.262  -2.012 -16.142
  897   HG21  THR 118          HG21      THR 118   4.432  -1.452 -13.711
  898   HG22  THR 118          HG22      THR 118   5.716  -0.304 -13.299
  899   HG23  THR 118          HG23      THR 118   4.238   0.268 -14.098
  900    H    GLN 119           H        GLN 119   5.681   0.031 -18.306
  901    HA   GLN 119           HA       GLN 119   7.919  -1.382 -19.305
  902    HB2  GLN 119           HB2      GLN 119   5.701   0.172 -20.675
  903    HB3  GLN 119           HB3      GLN 119   6.974  -0.641 -21.592
  904    HG2  GLN 119           HG2      GLN 119   6.425  -2.806 -20.566
  905    HG3  GLN 119           HG3      GLN 119   5.152  -2.054 -19.597
  906   HE21  GLN 119          HE22      GLN 119   3.343  -0.984 -20.846
  907   HE22  GLN 119          HE21      GLN 119   2.901  -1.691 -22.412
  908    H    LEU 120           H        LEU 120   7.541   2.110 -18.961
  909    HA   LEU 120           HA       LEU 120   9.666   2.917 -20.707
  910    HB2  LEU 120           HB2      LEU 120   8.805   4.155 -18.054
  911    HB3  LEU 120           HB3      LEU 120   9.804   4.941 -19.266
  912    HG   LEU 120           HG       LEU 120   6.913   4.097 -19.686
  913   HD11  LEU 120          HD11      LEU 120   7.197   5.946 -18.075
  914   HD12  LEU 120          HD12      LEU 120   8.127   6.849 -19.293
  915   HD13  LEU 120          HD13      LEU 120   6.414   6.479 -19.567
  916   HD21  LEU 120          HD21      LEU 120   8.069   4.060 -21.830
  917   HD22  LEU 120          HD22      LEU 120   7.066   5.504 -21.739
  918   HD23  LEU 120          HD23      LEU 120   8.824   5.637 -21.493
  919    H    ARG 121           H        ARG 121   9.823   1.432 -17.520
  920    HA   ARG 121           HA       ARG 121  12.812   1.572 -17.571
  921    HB2  ARG 121           HB2      ARG 121  11.812   2.188 -15.457
  922    HB3  ARG 121           HB3      ARG 121  10.860   0.697 -15.403
  923    HG2  ARG 121           HG2      ARG 121  12.914  -0.653 -15.216
  924    HG3  ARG 121           HG3      ARG 121  13.922   0.788 -15.396
  925    HD2  ARG 121           HD2      ARG 121  13.193   1.650 -13.263
  926    HD3  ARG 121           HD3      ARG 121  11.919   0.425 -13.129
  927    HE   ARG 121           HE       ARG 121  14.033  -1.202 -13.274
  928   HH11  ARG 121          HH21      ARG 121  13.677   1.675 -11.180
  929   HH12  ARG 121          HH22      ARG 121  14.641   0.904  -9.927
  930   HH21  ARG 121          HH11      ARG 121  15.241  -2.033 -11.505
  931   HH22  ARG 121          HH12      ARG 121  15.466  -0.983 -10.119
  932    H    TYR 122           H        TYR 122  10.157  -0.856 -17.236
  933    HA   TYR 122           HA       TYR 122  11.869  -3.112 -17.132
  934    HB2  TYR 122           HB2      TYR 122   9.644  -3.114 -16.209
  935    HB3  TYR 122           HB3      TYR 122   8.924  -2.775 -17.776
  936    HD1  TYR 122           HD1      TYR 122  11.223  -5.361 -16.258
  937    HD2  TYR 122           HD2      TYR 122   7.863  -4.558 -18.834
  938    HE1  TYR 122           HE1      TYR 122  10.984  -7.795 -16.697
  939    HE2  TYR 122           HE2      TYR 122   7.608  -6.994 -19.271
  940    HH   TYR 122           HH       TYR 122   9.785  -9.441 -17.793
  941    H    GLY 123           H        GLY 123  10.527  -1.502 -19.981
  942    HA2  GLY 123           HA2      GLY 123  11.174  -3.668 -21.846
  943    HA3  GLY 123           HA3      GLY 123  10.664  -2.010 -22.249
  944    H    LYS 124           H        LYS 124  13.224  -1.574 -20.205
  945    HA   LYS 124           HA       LYS 124  15.148  -1.250 -22.431
  946    HB2  LYS 124           HB2      LYS 124  15.142   0.265 -19.799
  947    HB3  LYS 124           HB3      LYS 124  15.947   0.699 -21.305
  948    HG2  LYS 124           HG2      LYS 124  12.958   0.755 -20.715
  949    HG3  LYS 124           HG3      LYS 124  14.020   2.143 -20.839
  950    HD2  LYS 124           HD2      LYS 124  14.241   1.953 -23.195
  951    HD3  LYS 124           HD3      LYS 124  13.632   0.289 -23.224
  952    HE2  LYS 124           HE2      LYS 124  11.396   1.009 -22.548
  953    HE3  LYS 124           HE3      LYS 124  11.957   2.681 -22.368
  954    HZ1  LYS 124           HZ1      LYS 124  12.030   1.221 -24.970
  955    HZ2  LYS 124           HZ2      LYS 124  10.834   2.250 -24.537
  956    HZ3  LYS 124           HZ3      LYS 124  12.353   2.821 -24.710
  957    H    SER 125           H        SER 125  17.504  -1.219 -21.683
  958    HA   SER 125           HA       SER 125  18.315  -2.736 -19.372
  959    HB2  SER 125           HB2      SER 125  17.525  -4.522 -20.983
  960    HB3  SER 125           HB3      SER 125  18.771  -3.968 -22.110
  961    HG   SER 125           HG       SER 125  19.518  -5.716 -20.756
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   5.371  24.700  13.006
    2    H2   MET   1           H2       MET   1   6.063  23.482  13.841
    3    H3   MET   1           H3       MET   1   6.820  24.930  13.718
    4    HA   MET   1           HA       MET   1   7.115  24.660  11.338
    5    HB2  MET   1           HB2      MET   1   8.153  22.285  12.955
    6    HB3  MET   1           HB3      MET   1   8.671  22.677  11.318
    7    HG2  MET   1           HG2      MET   1   9.086  24.426  13.770
    8    HG3  MET   1           HG3      MET   1  10.291  23.455  12.937
    9    HE1  MET   1           HE1      MET   1  10.758  26.493  13.665
   10    HE2  MET   1           HE2      MET   1  11.947  25.484  12.802
   11    HE3  MET   1           HE3      MET   1  11.502  27.083  12.166
   12    H    ALA   2           H        ALA   2   7.015  23.240   9.447
   13    HA   ALA   2           HA       ALA   2   4.424  21.934   9.196
   14    HB1  ALA   2           HB1      ALA   2   5.109  21.700   6.835
   15    HB2  ALA   2           HB2      ALA   2   5.406  23.347   7.418
   16    HB3  ALA   2           HB3      ALA   2   6.760  22.204   7.245
   17    H    SER   3           H        SER   3   4.149  19.768   8.236
   18    HA   SER   3           HA       SER   3   5.654  17.717   9.660
   19    HB2  SER   3           HB2      SER   3   4.006  16.198   8.482
   20    HB3  SER   3           HB3      SER   3   3.303  17.436   9.534
   21    HG   SER   3           HG       SER   3   2.201  17.280   7.495
   22    HA   PRO   4           HA       PRO   4   8.401  16.600   6.325
   23    HB2  PRO   4           HB2      PRO   4   8.959  13.985   6.827
   24    HB3  PRO   4           HB3      PRO   4   9.472  15.303   7.931
   25    HG2  PRO   4           HG2      PRO   4   7.010  13.537   8.164
   26    HG3  PRO   4           HG3      PRO   4   8.237  13.892   9.423
   27    HD2  PRO   4           HD2      PRO   4   5.893  15.263   9.266
   28    HD3  PRO   4           HD3      PRO   4   7.407  16.076   9.743
   29    H    HIS   5           H        HIS   5   8.638  15.207   4.413
   30    HA   HIS   5           HA       HIS   5   6.399  13.576   3.493
   31    HB2  HIS   5           HB2      HIS   5   5.712  16.039   3.179
   32    HB3  HIS   5           HB3      HIS   5   7.017  16.169   2.010
   33    HD1  HIS   5           HD1      HIS   5   6.541  14.934  -0.396
   34    HD2  HIS   5           HD2      HIS   5   3.543  14.577   2.548
   35    HE1  HIS   5           HE1      HIS   5   4.465  14.054  -1.583
   36    H    GLN   6           H        GLN   6   6.840  12.654   1.300
   37    HA   GLN   6           HA       GLN   6   9.666  12.026   0.836
   38    HB2  GLN   6           HB2      GLN   6   7.136  11.449  -0.782
   39    HB3  GLN   6           HB3      GLN   6   8.742  10.841  -1.183
   40    HG2  GLN   6           HG2      GLN   6   8.834   9.624   0.981
   41    HG3  GLN   6           HG3      GLN   6   7.202  10.174   1.368
   42   HE21  GLN   6          HE22      GLN   6   7.886   7.377   1.198
   43   HE22  GLN   6          HE21      GLN   6   7.043   6.731  -0.198
   44    H    GLU   7           H        GLU   7  10.913  12.577  -1.006
   45    HA   GLU   7           HA       GLU   7   9.909  14.816  -2.695
   46    HB2  GLU   7           HB2      GLU   7  11.766  15.507  -1.239
   47    HB3  GLU   7           HB3      GLU   7  12.787  14.228  -1.926
   48    HG2  GLU   7           HG2      GLU   7  12.499  15.302  -4.187
   49    HG3  GLU   7           HG3      GLU   7  11.567  16.594  -3.421
   50    HA   PRO   8           HA       PRO   8  10.475  11.569  -5.804
   51    HB2  PRO   8           HB2      PRO   8   9.641  12.872  -8.011
   52    HB3  PRO   8           HB3      PRO   8   8.511  12.431  -6.696
   53    HG2  PRO   8           HG2      PRO   8   9.890  15.101  -7.134
   54    HG3  PRO   8           HG3      PRO   8   8.151  14.798  -6.837
   55    HD2  PRO   8           HD2      PRO   8   9.897  15.485  -4.841
   56    HD3  PRO   8           HD3      PRO   8   8.526  14.366  -4.556
   57    H    LYS   9           H        LYS   9  11.961  10.959  -7.315
   58    HA   LYS   9           HA       LYS   9  14.180  12.833  -7.971
   59    HB2  LYS   9           HB2      LYS   9  14.286   9.960  -6.932
   60    HB3  LYS   9           HB3      LYS   9  15.677  10.753  -7.653
   61    HG2  LYS   9           HG2      LYS   9  14.246  11.611  -5.109
   62    HG3  LYS   9           HG3      LYS   9  15.827  10.831  -5.251
   63    HD2  LYS   9           HD2      LYS   9  16.550  12.890  -6.658
   64    HD3  LYS   9           HD3      LYS   9  15.056  13.657  -6.101
   65    HE2  LYS   9           HE2      LYS   9  15.780  13.034  -3.698
   66    HE3  LYS   9           HE3      LYS   9  17.351  12.608  -4.385
   67    HZ1  LYS   9           HZ1      LYS   9  16.071  15.287  -4.305
   68    HZ2  LYS   9           HZ2      LYS   9  17.476  14.841  -3.622
   69    HZ3  LYS   9           HZ3      LYS   9  17.396  14.981  -5.248
   70    HA   PRO  10           HA       PRO  10  14.101  11.996 -12.164
   71    HB2  PRO  10           HB2      PRO  10  16.914  10.894 -11.879
   72    HB3  PRO  10           HB3      PRO  10  16.265  11.944 -13.175
   73    HG2  PRO  10           HG2      PRO  10  17.618  13.057 -11.151
   74    HG3  PRO  10           HG3      PRO  10  16.069  13.799 -11.660
   75    HD2  PRO  10           HD2      PRO  10  16.618  11.985  -9.315
   76    HD3  PRO  10           HD3      PRO  10  15.587  13.449  -9.406
   77    H    GLY  11           H        GLY  11  12.891  10.446 -13.122
   78    HA2  GLY  11           HA2      GLY  11  12.528   8.506 -14.294
   79    HA3  GLY  11           HA3      GLY  11  13.961   7.764 -13.563
   80    H    ASP  12           H        ASP  12  12.097   8.842 -10.959
   81    HA   ASP  12           HA       ASP  12  11.271   6.141 -10.440
   82    HB2  ASP  12           HB2      ASP  12  10.688   6.746  -8.290
   83    HB3  ASP  12           HB3      ASP  12  12.195   7.540  -8.694
   84    H    LEU  13           H        LEU  13   9.202   5.454  -9.694
   85    HA   LEU  13           HA       LEU  13   6.945   6.451 -11.344
   86    HB2  LEU  13           HB2      LEU  13   7.335   3.971  -9.611
   87    HB3  LEU  13           HB3      LEU  13   5.785   4.434 -10.281
   88    HG   LEU  13           HG       LEU  13   6.633   2.708 -11.612
   89   HD11  LEU  13          HD11      LEU  13   6.564   3.662 -13.819
   90   HD12  LEU  13          HD12      LEU  13   5.476   4.587 -12.766
   91   HD13  LEU  13          HD13      LEU  13   7.059   5.255 -13.225
   92   HD21  LEU  13          HD21      LEU  13   8.724   2.697 -12.839
   93   HD22  LEU  13          HD22      LEU  13   9.175   4.286 -12.202
   94   HD23  LEU  13          HD23      LEU  13   9.047   2.884 -11.107
   95    H    ILE  14           H        ILE  14   5.487   7.781 -10.536
   96    HA   ILE  14           HA       ILE  14   5.199   8.083  -7.565
   97    HB   ILE  14           HB       ILE  14   4.329   9.959  -9.809
   98   HG12  ILE  14          HG12      ILE  14   6.499  10.183  -7.672
   99   HG13  ILE  14          HG13      ILE  14   6.738  10.064  -9.420
  100   HG21  ILE  14          HG21      ILE  14   2.699   9.897  -7.895
  101   HG22  ILE  14          HG22      ILE  14   4.036  10.240  -6.782
  102   HG23  ILE  14          HG23      ILE  14   3.521  11.438  -7.994
  103   HD11  ILE  14          HD11      ILE  14   7.089  12.345  -8.766
  104   HD12  ILE  14          HD12      ILE  14   5.577  12.275  -9.692
  105   HD13  ILE  14          HD13      ILE  14   5.547  12.417  -7.913
  106    H    GLU  15           H        GLU  15   3.454   7.150  -6.713
  107    HA   GLU  15           HA       GLU  15   1.308   6.108  -8.482
  108    HB2  GLU  15           HB2      GLU  15   1.913   5.670  -5.528
  109    HB3  GLU  15           HB3      GLU  15   0.508   5.021  -6.372
  110    HG2  GLU  15           HG2      GLU  15   2.055   3.829  -7.953
  111    HG3  GLU  15           HG3      GLU  15   3.420   4.391  -6.990
  112    H    ILE  16           H        ILE  16  -0.363   7.542  -8.872
  113    HA   ILE  16           HA       ILE  16  -1.053   9.566  -6.779
  114    HB   ILE  16           HB       ILE  16  -1.792   9.524  -9.734
  115   HG12  ILE  16          HG12      ILE  16   0.239  11.316  -8.324
  116   HG13  ILE  16          HG13      ILE  16   0.665   9.916  -9.306
  117   HG21  ILE  16          HG21      ILE  16  -2.285  11.588  -7.558
  118   HG22  ILE  16          HG22      ILE  16  -2.581  11.858  -9.286
  119   HG23  ILE  16          HG23      ILE  16  -3.504  10.638  -8.423
  120   HD11  ILE  16          HD11      ILE  16   0.957  11.828 -10.671
  121   HD12  ILE  16          HD12      ILE  16  -0.464  10.951 -11.278
  122   HD13  ILE  16          HD13      ILE  16  -0.666  12.444 -10.319
  123    H    PHE  17           H        PHE  17  -2.877   9.415  -5.735
  124    HA   PHE  17           HA       PHE  17  -4.930   7.382  -6.512
  125    HB2  PHE  17           HB2      PHE  17  -4.074   8.362  -3.762
  126    HB3  PHE  17           HB3      PHE  17  -5.411   7.264  -4.086
  127    HD1  PHE  17           HD1      PHE  17  -5.002   4.937  -4.813
  128    HD2  PHE  17           HD2      PHE  17  -1.733   7.621  -3.967
  129    HE1  PHE  17           HE1      PHE  17  -3.437   3.014  -4.751
  130    HE2  PHE  17           HE2      PHE  17  -0.168   5.695  -3.920
  131    HZ   PHE  17           HZ       PHE  17  -1.012   3.393  -4.321
  132    H    ARG  18           H        ARG  18  -6.335   8.554  -7.625
  133    HA   ARG  18           HA       ARG  18  -7.345  11.184  -6.701
  134    HB2  ARG  18           HB2      ARG  18  -8.265   9.563  -9.113
  135    HB3  ARG  18           HB3      ARG  18  -8.508  11.279  -8.791
  136    HG2  ARG  18           HG2      ARG  18  -5.944  11.529  -8.946
  137    HG3  ARG  18           HG3      ARG  18  -5.920   9.876  -9.570
  138    HD2  ARG  18           HD2      ARG  18  -7.450  10.529 -11.398
  139    HD3  ARG  18           HD3      ARG  18  -7.477  12.189 -10.807
  140    HE   ARG  18           HE       ARG  18  -5.375  10.848 -12.318
  141   HH11  ARG  18          HH11      ARG  18  -5.937  13.665 -10.213
  142   HH12  ARG  18          HH12      ARG  18  -4.584  14.526 -10.893
  143   HH21  ARG  18          HH21      ARG  18  -3.663  12.055 -13.130
  144   HH22  ARG  18          HH22      ARG  18  -3.356  13.652 -12.496
  145    H    LEU  19           H        LEU  19  -9.884  11.327  -6.890
  146    HA   LEU  19           HA       LEU  19 -11.071   9.560  -4.962
  147    HB2  LEU  19           HB2      LEU  19 -12.224  11.657  -6.851
  148    HB3  LEU  19           HB3      LEU  19 -13.219  10.711  -5.767
  149    HG   LEU  19           HG       LEU  19 -12.850  12.884  -4.851
  150   HD11  LEU  19          HD11      LEU  19 -11.285  10.881  -3.175
  151   HD12  LEU  19          HD12      LEU  19 -12.160  12.316  -2.609
  152   HD13  LEU  19          HD13      LEU  19 -13.060  10.951  -3.299
  153   HD21  LEU  19          HD21      LEU  19 -10.635  13.412  -5.859
  154   HD22  LEU  19          HD22      LEU  19 -10.747  13.788  -4.135
  155   HD23  LEU  19          HD23      LEU  19  -9.860  12.347  -4.660
  156    H    GLY  20           H        GLY  20 -11.246   7.459  -5.416
  157    HA2  GLY  20           HA2      GLY  20 -12.378   5.595  -6.195
  158    HA3  GLY  20           HA3      GLY  20 -13.109   6.568  -7.491
  159    H    TYR  21           H        TYR  21  -9.771   7.029  -7.718
  160    HA   TYR  21           HA       TYR  21  -9.269   4.699  -9.421
  161    HB2  TYR  21           HB2      TYR  21  -9.337   7.534 -10.528
  162    HB3  TYR  21           HB3      TYR  21  -8.745   6.130 -11.394
  163    HD1  TYR  21           HD1      TYR  21 -10.345   4.238 -11.988
  164    HD2  TYR  21           HD2      TYR  21 -11.673   8.076 -10.537
  165    HE1  TYR  21           HE1      TYR  21 -12.625   3.796 -12.894
  166    HE2  TYR  21           HE2      TYR  21 -13.944   7.641 -11.439
  167    HH   TYR  21           HH       TYR  21 -15.317   6.153 -12.557
  168    H    GLU  22           H        GLU  22  -7.179   4.147  -9.585
  169    HA   GLU  22           HA       GLU  22  -5.062   5.967  -8.564
  170    HB2  GLU  22           HB2      GLU  22  -3.986   3.384  -9.142
  171    HB3  GLU  22           HB3      GLU  22  -4.172   4.210  -7.614
  172    HG2  GLU  22           HG2      GLU  22  -5.103   2.074  -7.349
  173    HG3  GLU  22           HG3      GLU  22  -6.448   3.200  -7.345
  174    H    HIS  23           H        HIS  23  -3.375   6.650  -9.850
  175    HA   HIS  23           HA       HIS  23  -2.966   5.504 -12.572
  176    HB2  HIS  23           HB2      HIS  23  -3.799   8.342 -11.940
  177    HB3  HIS  23           HB3      HIS  23  -2.571   8.105 -13.163
  178    HD1  HIS  23           HD1      HIS  23  -5.642   5.772 -12.919
  179    HD2  HIS  23           HD2      HIS  23  -3.939   8.810 -15.278
  180    HE1  HIS  23           HE1      HIS  23  -7.077   5.952 -15.035
  181    H    TRP  24           H        TRP  24  -0.771   5.150 -12.864
  182    HA   TRP  24           HA       TRP  24   1.118   6.453 -10.960
  183    HB2  TRP  24           HB2      TRP  24   1.648   4.233 -12.923
  184    HB3  TRP  24           HB3      TRP  24   2.690   4.777 -11.623
  185    HD1  TRP  24           HD1      TRP  24   2.228   1.877 -11.885
  186    HE1  TRP  24           HE1      TRP  24   0.909   0.417 -10.234
  187    HE3  TRP  24           HE3      TRP  24  -0.470   5.506  -9.431
  188    HZ2  TRP  24           HZ2      TRP  24  -0.954   0.751  -8.121
  189    HZ3  TRP  24           HZ3      TRP  24  -1.929   4.903  -7.552
  190    HH2  TRP  24           HH2      TRP  24  -2.198   2.523  -6.883
  191    H    ALA  25           H        ALA  25   2.832   7.695 -11.611
  192    HA   ALA  25           HA       ALA  25   2.994   8.539 -14.493
  193    HB1  ALA  25           HB1      ALA  25   3.210  10.279 -11.998
  194    HB2  ALA  25           HB2      ALA  25   3.391  10.829 -13.681
  195    HB3  ALA  25           HB3      ALA  25   1.821  10.223 -13.106
  196    H    LEU  26           H        LEU  26   5.070   9.264 -15.233
  197    HA   LEU  26           HA       LEU  26   7.409   8.157 -13.741
  198    HB2  LEU  26           HB2      LEU  26   6.708   7.464 -16.190
  199    HB3  LEU  26           HB3      LEU  26   7.299   9.034 -16.673
  200    HG   LEU  26           HG       LEU  26   8.941   7.393 -17.138
  201   HD11  LEU  26          HD11      LEU  26   9.979   8.810 -14.660
  202   HD12  LEU  26          HD12      LEU  26  10.903   8.239 -16.055
  203   HD13  LEU  26          HD13      LEU  26   9.768   9.585 -16.248
  204   HD21  LEU  26          HD21      LEU  26   9.945   5.896 -15.496
  205   HD22  LEU  26          HD22      LEU  26   8.946   6.574 -14.199
  206   HD23  LEU  26          HD23      LEU  26   8.192   5.654 -15.518
  207    H    TYR  27           H        TYR  27   8.439   9.711 -12.524
  208    HA   TYR  27           HA       TYR  27   8.137  12.574 -13.193
  209    HB2  TYR  27           HB2      TYR  27   7.909  11.824 -10.896
  210    HB3  TYR  27           HB3      TYR  27   9.525  11.137 -10.918
  211    HD1  TYR  27           HD2      TYR  27   7.630  14.360 -11.009
  212    HD2  TYR  27           HD1      TYR  27  11.450  12.460 -10.521
  213    HE1  TYR  27           HE2      TYR  27   8.556  16.481 -10.119
  214    HE2  TYR  27           HE1      TYR  27  12.381  14.572  -9.564
  215    HH   TYR  27           HH       TYR  27  10.408  17.527  -9.149
  216    H    ILE  28           H        ILE  28   9.635  13.903 -14.071
  217    HA   ILE  28           HA       ILE  28  12.139  12.524 -15.036
  218    HB   ILE  28           HB       ILE  28  12.052  13.813 -17.034
  219   HG12  ILE  28          HG12      ILE  28   9.394  14.972 -16.108
  220   HG13  ILE  28          HG13      ILE  28  10.921  15.870 -16.144
  221   HG21  ILE  28          HG21      ILE  28   9.316  12.519 -16.600
  222   HG22  ILE  28          HG22      ILE  28  10.284  12.596 -18.084
  223   HG23  ILE  28          HG23      ILE  28  10.835  11.603 -16.746
  224   HD11  ILE  28          HD11      ILE  28  11.054  15.380 -18.626
  225   HD12  ILE  28          HD12      ILE  28   9.406  14.709 -18.511
  226   HD13  ILE  28          HD13      ILE  28   9.690  16.414 -18.138
  227    H    GLY  29           H        GLY  29  11.788  14.345 -12.562
  228    HA2  GLY  29           HA2      GLY  29  13.653  15.077 -11.334
  229    HA3  GLY  29           HA3      GLY  29  14.569  15.285 -12.831
  230    H    ASP  30           H        ASP  30  12.460  17.034 -14.010
  231    HA   ASP  30           HA       ASP  30  13.540  19.515 -12.871
  232    HB2  ASP  30           HB2      ASP  30  13.613  18.800 -15.304
  233    HB3  ASP  30           HB3      ASP  30  11.879  19.085 -15.380
  234    H    GLY  31           H        GLY  31  11.076  18.014 -11.672
  235    HA2  GLY  31           HA2      GLY  31   9.204  18.804 -10.422
  236    HA3  GLY  31           HA3      GLY  31   9.253  20.342 -11.315
  237    H    TYR  32           H        TYR  32   9.573  18.123 -13.662
  238    HA   TYR  32           HA       TYR  32   6.687  18.113 -14.330
  239    HB2  TYR  32           HB2      TYR  32   9.232  17.850 -15.948
  240    HB3  TYR  32           HB3      TYR  32   7.682  17.380 -16.619
  241    HD1  TYR  32           HD1      TYR  32   9.602  20.275 -15.259
  242    HD2  TYR  32           HD2      TYR  32   6.087  18.975 -17.379
  243    HE1  TYR  32           HE1      TYR  32   9.116  22.626 -15.870
  244    HE2  TYR  32           HE2      TYR  32   5.573  21.342 -17.982
  245    HH   TYR  32           HH       TYR  32   7.686  24.072 -16.981
  246    H    VAL  33           H        VAL  33   5.649  16.335 -15.223
  247    HA   VAL  33           HA       VAL  33   6.831  13.628 -14.730
  248    HB   VAL  33           HB       VAL  33   4.524  12.818 -14.195
  249   HG11  VAL  33          HG11      VAL  33   4.528  13.519 -11.843
  250   HG12  VAL  33          HG12      VAL  33   6.165  13.161 -12.410
  251   HG13  VAL  33          HG13      VAL  33   5.639  14.845 -12.221
  252   HG21  VAL  33          HG21      VAL  33   3.811  15.740 -13.708
  253   HG22  VAL  33          HG22      VAL  33   3.279  14.822 -15.125
  254   HG23  VAL  33          HG23      VAL  33   2.774  14.318 -13.496
  255    H    ILE  34           H        ILE  34   6.186  12.033 -16.147
  256    HA   ILE  34           HA       ILE  34   4.535  12.842 -18.524
  257    HB   ILE  34           HB       ILE  34   7.079  11.175 -18.358
  258   HG12  ILE  34          HG12      ILE  34   6.179  13.510 -20.103
  259   HG13  ILE  34          HG13      ILE  34   7.219  13.640 -18.690
  260   HG21  ILE  34          HG21      ILE  34   5.001  11.227 -20.620
  261   HG22  ILE  34          HG22      ILE  34   6.624  10.536 -20.775
  262   HG23  ILE  34          HG23      ILE  34   5.481   9.808 -19.668
  263   HD11  ILE  34          HD11      ILE  34   8.581  13.780 -20.657
  264   HD12  ILE  34          HD12      ILE  34   8.939  12.253 -19.836
  265   HD13  ILE  34          HD13      ILE  34   7.933  12.274 -21.299
  266    H    HIS  35           H        HIS  35   2.842  11.499 -19.050
  267    HA   HIS  35           HA       HIS  35   2.372   8.968 -17.627
  268    HB2  HIS  35           HB2      HIS  35   0.477   9.823 -16.337
  269    HB3  HIS  35           HB3      HIS  35   1.907  10.749 -15.901
  270    HD1  HIS  35           HD1      HIS  35  -1.543  11.207 -17.413
  271    HD2  HIS  35           HD2      HIS  35   2.081  13.313 -17.027
  272    HE1  HIS  35           HE1      HIS  35  -2.055  13.644 -17.976
  273    H    LEU  36           H        LEU  36   0.049   8.181 -18.168
  274    HA   LEU  36           HA       LEU  36  -0.697   9.031 -20.921
  275    HB2  LEU  36           HB2      LEU  36  -0.443   6.526 -20.052
  276    HB3  LEU  36           HB3      LEU  36  -2.006   6.840 -19.296
  277    HG   LEU  36           HG       LEU  36  -2.858   7.465 -21.638
  278   HD11  LEU  36          HD11      LEU  36  -1.611   6.663 -23.572
  279   HD12  LEU  36          HD12      LEU  36  -0.585   7.787 -22.679
  280   HD13  LEU  36          HD13      LEU  36  -0.304   6.049 -22.532
  281   HD21  LEU  36          HD21      LEU  36  -3.074   5.091 -22.362
  282   HD22  LEU  36          HD22      LEU  36  -1.844   4.622 -21.171
  283   HD23  LEU  36          HD23      LEU  36  -3.402   5.301 -20.644
  284    H    ALA  37           H        ALA  37  -2.797   9.848 -21.361
  285    HA   ALA  37           HA       ALA  37  -4.464  10.650 -19.001
  286    HB1  ALA  37           HB1      ALA  37  -3.348  12.571 -20.025
  287    HB2  ALA  37           HB2      ALA  37  -3.964  12.106 -21.628
  288    HB3  ALA  37           HB3      ALA  37  -5.093  12.623 -20.353
  289    HA   PRO  38           HA       PRO  38  -7.181   7.943 -21.399
  290    HB2  PRO  38           HB2      PRO  38  -9.208   7.587 -19.628
  291    HB3  PRO  38           HB3      PRO  38  -7.573   6.902 -19.353
  292    HG2  PRO  38           HG2      PRO  38  -8.692   9.497 -18.250
  293    HG3  PRO  38           HG3      PRO  38  -7.894   8.160 -17.352
  294    HD2  PRO  38           HD2      PRO  38  -6.528  10.373 -18.194
  295    HD3  PRO  38           HD3      PRO  38  -5.769   8.748 -18.180
  296    HA   PRO  39           HA       PRO  39 -10.212  10.782 -23.131
  297    HB2  PRO  39           HB2      PRO  39 -12.135   9.094 -24.122
  298    HB3  PRO  39           HB3      PRO  39 -10.515   9.285 -24.856
  299    HG2  PRO  39           HG2      PRO  39 -11.449   7.134 -22.932
  300    HG3  PRO  39           HG3      PRO  39 -10.525   6.934 -24.458
  301    HD2  PRO  39           HD2      PRO  39  -9.323   6.965 -22.010
  302    HD3  PRO  39           HD3      PRO  39  -8.536   7.675 -23.449
  303    H    SER  40           H        SER  40 -11.349  12.058 -21.757
  304    HA   SER  40           HA       SER  40 -12.875  10.971 -19.524
  305    HB2  SER  40           HB2      SER  40 -13.198  13.384 -19.005
  306    HB3  SER  40           HB3      SER  40 -11.501  12.928 -19.224
  307    HG   SER  40           HG       SER  40 -12.059  14.909 -20.332
  308    H    GLU  41           H        GLU  41 -13.689  12.009 -22.733
  309    HA   GLU  41           HA       GLU  41 -16.549  12.424 -22.113
  310    HB2  GLU  41           HB2      GLU  41 -15.018  13.900 -23.618
  311    HB3  GLU  41           HB3      GLU  41 -15.275  12.664 -24.850
  312    HG2  GLU  41           HG2      GLU  41 -17.735  13.077 -24.712
  313    HG3  GLU  41           HG3      GLU  41 -17.474  14.200 -23.376
  314    H    TYR  42           H        TYR  42 -15.170   9.684 -22.046
  315    HA   TYR  42           HA       TYR  42 -15.838   8.102 -24.238
  316    HB2  TYR  42           HB2      TYR  42 -14.396   7.569 -22.208
  317    HB3  TYR  42           HB3      TYR  42 -15.875   7.151 -21.356
  318    HD1  TYR  42           HD2      TYR  42 -17.312   5.220 -22.265
  319    HD2  TYR  42           HD1      TYR  42 -13.363   6.097 -23.734
  320    HE1  TYR  42           HE2      TYR  42 -17.244   3.007 -23.384
  321    HE2  TYR  42           HE1      TYR  42 -13.255   3.845 -24.793
  322    HH   TYR  42           HH       TYR  42 -16.034   1.577 -24.737
  323    HA   PRO  43           HA       PRO  43 -20.281   8.126 -24.007
  324    HB2  PRO  43           HB2      PRO  43 -20.961   6.297 -25.899
  325    HB3  PRO  43           HB3      PRO  43 -20.204   7.867 -26.291
  326    HG2  PRO  43           HG2      PRO  43 -18.833   5.174 -25.970
  327    HG3  PRO  43           HG3      PRO  43 -18.674   6.342 -27.322
  328    HD2  PRO  43           HD2      PRO  43 -16.881   6.274 -25.274
  329    HD3  PRO  43           HD3      PRO  43 -17.376   7.828 -26.004
  330    H    GLY  44           H        GLY  44 -21.723   7.268 -22.622
  331    HA2  GLY  44           HA2      GLY  44 -21.100   4.637 -21.332
  332    HA3  GLY  44           HA3      GLY  44 -21.856   6.048 -20.572
  333    H    ALA  45           H        ALA  45 -23.274   5.540 -23.615
  334    HA   ALA  45           HA       ALA  45 -25.807   5.062 -22.403
  335    HB1  ALA  45           HB1      ALA  45 -25.546   6.320 -24.486
  336    HB2  ALA  45           HB2      ALA  45 -24.995   4.857 -25.330
  337    HB3  ALA  45           HB3      ALA  45 -26.654   4.953 -24.716
  338    H    GLY  46           H        GLY  46 -26.914   3.328 -21.874
  339    HA2  GLY  46           HA2      GLY  46 -25.576   0.769 -21.832
  340    HA3  GLY  46           HA3      GLY  46 -27.151   1.169 -21.124
  341    H    SER  47           H        SER  47 -28.524   1.962 -23.499
  342    HA   SER  47           HA       SER  47 -29.464  -0.604 -24.355
  343    HB2  SER  47           HB2      SER  47 -30.913   0.762 -25.871
  344    HB3  SER  47           HB3      SER  47 -30.972   1.239 -24.170
  345    HG   SER  47           HG       SER  47 -30.786   3.070 -25.594
  346    H    SER  48           H        SER  48 -27.237   1.689 -25.919
  347    HA   SER  48           HA       SER  48 -26.934  -0.048 -28.307
  348    HB2  SER  48           HB2      SER  48 -25.449   1.781 -29.065
  349    HB3  SER  48           HB3      SER  48 -27.062   2.357 -28.618
  350    HG   SER  48           HG       SER  48 -25.510   3.731 -27.699
  351    H    SER  49           H        SER  49 -25.761  -0.244 -25.237
  352    HA   SER  49           HA       SER  49 -24.044  -1.280 -24.191
  353    HB2  SER  49           HB2      SER  49 -23.510  -2.555 -26.893
  354    HB3  SER  49           HB3      SER  49 -22.946  -3.132 -25.322
  355    HG   SER  49           HG       SER  49 -24.887  -4.222 -26.017
  356    H    VAL  50           H        VAL  50 -23.325   1.249 -26.030
  357    HA   VAL  50           HA       VAL  50 -20.621   0.918 -26.762
  358    HB   VAL  50           HB       VAL  50 -20.469   3.394 -26.930
  359   HG11  VAL  50          HG11      VAL  50 -21.329   2.009 -28.774
  360   HG12  VAL  50          HG12      VAL  50 -22.978   2.178 -28.141
  361   HG13  VAL  50          HG13      VAL  50 -22.104   3.605 -28.723
  362   HG21  VAL  50          HG21      VAL  50 -21.901   4.057 -25.035
  363   HG22  VAL  50          HG22      VAL  50 -22.508   4.749 -26.553
  364   HG23  VAL  50          HG23      VAL  50 -23.312   3.350 -25.838
  365    H    PHE  51           H        PHE  51 -21.769   1.282 -23.567
  366    HA   PHE  51           HA       PHE  51 -19.376   2.390 -22.364
  367    HB2  PHE  51           HB2      PHE  51 -20.328   1.703 -20.303
  368    HB3  PHE  51           HB3      PHE  51 -21.661   2.265 -21.288
  369    HD1  PHE  51           HD1      PHE  51 -23.304   0.625 -22.248
  370    HD2  PHE  51           HD2      PHE  51 -20.149  -0.611 -19.583
  371    HE1  PHE  51           HE1      PHE  51 -24.475  -1.534 -21.863
  372    HE2  PHE  51           HE2      PHE  51 -21.316  -2.770 -19.205
  373    HZ   PHE  51           HZ       PHE  51 -23.481  -3.233 -20.348
  374    H    SER  52           H        SER  52 -20.220  -0.776 -23.653
  375    HA   SER  52           HA       SER  52 -17.643  -1.925 -22.629
  376    HB2  SER  52           HB2      SER  52 -18.721  -4.101 -22.659
  377    HB3  SER  52           HB3      SER  52 -19.606  -2.981 -21.609
  378    HG   SER  52           HG       SER  52 -21.030  -4.193 -22.976
  379    H    VAL  53           H        VAL  53 -19.844  -1.790 -25.479
  380    HA   VAL  53           HA       VAL  53 -17.782  -3.099 -27.152
  381    HB   VAL  53           HB       VAL  53 -19.147  -2.895 -29.036
  382   HG11  VAL  53          HG11      VAL  53 -20.883  -3.778 -26.699
  383   HG12  VAL  53          HG12      VAL  53 -21.041  -4.279 -28.393
  384   HG13  VAL  53          HG13      VAL  53 -19.605  -4.745 -27.464
  385   HG21  VAL  53          HG21      VAL  53 -20.195  -0.639 -28.642
  386   HG22  VAL  53          HG22      VAL  53 -21.313  -1.895 -29.189
  387   HG23  VAL  53          HG23      VAL  53 -21.292  -1.424 -27.494
  388    H    LEU  54           H        LEU  54 -16.803  -2.149 -28.996
  389    HA   LEU  54           HA       LEU  54 -15.514  -0.641 -30.097
  390    HB2  LEU  54           HB2      LEU  54 -17.348   1.552 -29.051
  391    HB3  LEU  54           HB3      LEU  54 -16.250   1.654 -30.413
  392    HG   LEU  54           HG       LEU  54 -18.707  -0.138 -30.323
  393   HD11  LEU  54          HD11      LEU  54 -19.264   2.267 -30.356
  394   HD12  LEU  54          HD12      LEU  54 -18.206   2.501 -31.765
  395   HD13  LEU  54          HD13      LEU  54 -19.668   1.496 -31.897
  396   HD21  LEU  54          HD21      LEU  54 -16.773   0.509 -32.596
  397   HD22  LEU  54          HD22      LEU  54 -16.988  -1.075 -31.814
  398   HD23  LEU  54          HD23      LEU  54 -18.305  -0.380 -32.765
  399    H    SER  55           H        SER  55 -14.545   1.904 -29.480
  400    HA   SER  55           HA       SER  55 -13.383   2.009 -26.829
  401    HB2  SER  55           HB2      SER  55 -11.063   1.537 -27.532
  402    HB3  SER  55           HB3      SER  55 -12.101   0.113 -27.620
  403    HG   SER  55           HG       SER  55 -10.826   0.260 -29.515
  404    H    ASN  56           H        ASN  56 -11.612   3.645 -26.709
  405    HA   ASN  56           HA       ASN  56 -11.633   5.751 -28.800
  406    HB2  ASN  56           HB2      ASN  56 -12.415   6.136 -25.883
  407    HB3  ASN  56           HB3      ASN  56 -11.899   7.465 -26.914
  408   HD21  ASN  56          HD22      ASN  56 -14.521   5.090 -26.409
  409   HD22  ASN  56          HD21      ASN  56 -15.652   5.909 -27.470
  410    H    SER  57           H        SER  57  -9.898   7.517 -28.069
  411    HA   SER  57           HA       SER  57  -7.452   5.904 -27.526
  412    HB2  SER  57           HB2      SER  57  -7.796   8.572 -28.920
  413    HB3  SER  57           HB3      SER  57  -6.278   7.677 -28.730
  414    HG   SER  57           HG       SER  57  -7.364   7.284 -30.794
  415    H    ALA  58           H        ALA  58  -6.125   6.217 -25.893
  416    HA   ALA  58           HA       ALA  58  -6.276   8.617 -24.098
  417    HB1  ALA  58           HB1      ALA  58  -4.949   5.880 -23.757
  418    HB2  ALA  58           HB2      ALA  58  -5.012   7.179 -22.548
  419    HB3  ALA  58           HB3      ALA  58  -6.502   6.357 -23.046
  420    H    GLU  59           H        GLU  59  -4.277   9.774 -23.700
  421    HA   GLU  59           HA       GLU  59  -2.244   9.434 -25.897
  422    HB2  GLU  59           HB2      GLU  59  -3.882  11.387 -26.111
  423    HB3  GLU  59           HB3      GLU  59  -3.096  12.089 -24.685
  424    HG2  GLU  59           HG2      GLU  59  -0.916  12.067 -25.901
  425    HG3  GLU  59           HG3      GLU  59  -1.686  11.309 -27.294
  426    H    VAL  60           H        VAL  60  -0.070   9.662 -25.372
  427    HA   VAL  60           HA       VAL  60   0.674   9.814 -22.514
  428    HB   VAL  60           HB       VAL  60   2.474   9.833 -24.940
  429   HG11  VAL  60          HG11      VAL  60   3.547  10.749 -22.846
  430   HG12  VAL  60          HG12      VAL  60   3.082   9.290 -21.994
  431   HG13  VAL  60          HG13      VAL  60   4.266   9.218 -23.327
  432   HG21  VAL  60          HG21      VAL  60   1.766   7.477 -23.139
  433   HG22  VAL  60          HG22      VAL  60   1.214   7.693 -24.817
  434   HG23  VAL  60          HG23      VAL  60   2.930   7.461 -24.470
  435    H    LYS  61           H        LYS  61   1.033  11.677 -21.473
  436    HA   LYS  61           HA       LYS  61   1.680  14.182 -22.995
  437    HB2  LYS  61           HB2      LYS  61  -0.443  13.708 -20.860
  438    HB3  LYS  61           HB3      LYS  61   0.110  15.319 -21.332
  439    HG2  LYS  61           HG2      LYS  61  -0.575  14.885 -23.681
  440    HG3  LYS  61           HG3      LYS  61  -1.204  13.293 -23.208
  441    HD2  LYS  61           HD2      LYS  61  -2.781  14.312 -21.666
  442    HD3  LYS  61           HD3      LYS  61  -2.146  15.928 -21.984
  443    HE2  LYS  61           HE2      LYS  61  -3.644  14.133 -23.959
  444    HE3  LYS  61           HE3      LYS  61  -4.303  15.510 -23.087
  445    HZ1  LYS  61           HZ1      LYS  61  -3.735  16.271 -25.242
  446    HZ2  LYS  61           HZ2      LYS  61  -2.569  16.893 -24.279
  447    HZ3  LYS  61           HZ3      LYS  61  -2.266  15.576 -25.243
  448    H    ARG  62           H        ARG  62   2.663  15.863 -21.825
  449    HA   ARG  62           HA       ARG  62   4.181  15.114 -19.346
  450    HB2  ARG  62           HB2      ARG  62   5.584  15.370 -21.395
  451    HB3  ARG  62           HB3      ARG  62   4.953  16.993 -21.627
  452    HG2  ARG  62           HG2      ARG  62   5.984  17.707 -19.471
  453    HG3  ARG  62           HG3      ARG  62   6.567  16.061 -19.203
  454    HD2  ARG  62           HD2      ARG  62   8.396  17.421 -20.056
  455    HD3  ARG  62           HD3      ARG  62   7.950  16.237 -21.272
  456    HE   ARG  62           HE       ARG  62   7.184  17.912 -22.686
  457   HH11  ARG  62          HH21      ARG  62   8.011  19.476 -19.594
  458   HH12  ARG  62          HH22      ARG  62   7.860  21.058 -20.284
  459   HH21  ARG  62          HH11      ARG  62   7.000  19.986 -23.466
  460   HH22  ARG  62          HH12      ARG  62   7.314  21.342 -22.431
  461    H    GLU  63           H        GLU  63   3.804  16.464 -17.567
  462    HA   GLU  63           HA       GLU  63   3.454  19.317 -17.941
  463    HB2  GLU  63           HB2      GLU  63   1.046  17.673 -17.484
  464    HB3  GLU  63           HB3      GLU  63   1.275  18.866 -16.222
  465    HG2  GLU  63           HG2      GLU  63   1.032  19.446 -19.180
  466    HG3  GLU  63           HG3      GLU  63  -0.158  19.760 -17.937
  467    H    ARG  64           H        ARG  64   3.063  20.354 -15.655
  468    HA   ARG  64           HA       ARG  64   5.211  19.488 -13.926
  469    HB2  ARG  64           HB2      ARG  64   2.965  21.503 -13.548
  470    HB3  ARG  64           HB3      ARG  64   4.242  21.204 -12.350
  471    HG2  ARG  64           HG2      ARG  64   5.968  21.786 -14.049
  472    HG3  ARG  64           HG3      ARG  64   4.691  22.123 -15.227
  473    HD2  ARG  64           HD2      ARG  64   5.458  24.222 -14.276
  474    HD3  ARG  64           HD3      ARG  64   3.799  23.912 -13.779
  475    HE   ARG  64           HE       ARG  64   4.467  23.826 -11.572
  476   HH11  ARG  64          HH11      ARG  64   7.449  23.594 -13.484
  477   HH12  ARG  64          HH12      ARG  64   8.450  23.724 -12.070
  478   HH21  ARG  64          HH21      ARG  64   5.767  23.918  -9.836
  479   HH22  ARG  64          HH22      ARG  64   7.512  23.922 -10.010
  480    H    LEU  65           H        LEU  65   5.176  18.441 -11.948
  481    HA   LEU  65           HA       LEU  65   3.300  16.395 -11.395
  482    HB2  LEU  65           HB2      LEU  65   5.672  16.756 -10.532
  483    HB3  LEU  65           HB3      LEU  65   5.020  17.861  -9.331
  484    HG   LEU  65           HG       LEU  65   4.364  14.881  -9.604
  485   HD11  LEU  65          HD11      LEU  65   6.103  16.435  -7.638
  486   HD12  LEU  65          HD12      LEU  65   5.708  14.714  -7.496
  487   HD13  LEU  65          HD13      LEU  65   6.659  15.282  -8.875
  488   HD21  LEU  65          HD21      LEU  65   3.474  16.895  -7.494
  489   HD22  LEU  65          HD22      LEU  65   2.450  15.879  -8.544
  490   HD23  LEU  65          HD23      LEU  65   3.406  15.133  -7.276
  491    H    GLU  66           H        GLU  66   3.468  19.608  -9.796
  492    HA   GLU  66           HA       GLU  66   1.186  19.562  -8.222
  493    HB2  GLU  66           HB2      GLU  66   1.840  22.023  -9.885
  494    HB3  GLU  66           HB3      GLU  66   1.148  21.927  -8.267
  495    HG2  GLU  66           HG2      GLU  66   3.356  21.039  -7.460
  496    HG3  GLU  66           HG3      GLU  66   3.976  21.244  -9.117
  497    H    ASP  67           H        ASP  67   1.329  20.617 -11.646
  498    HA   ASP  67           HA       ASP  67  -1.413  21.176 -11.910
  499    HB2  ASP  67           HB2      ASP  67   0.367  22.010 -13.419
  500    HB3  ASP  67           HB3      ASP  67   0.568  20.381 -14.081
  501    H    VAL  68           H        VAL  68   0.393  18.238 -12.801
  502    HA   VAL  68           HA       VAL  68  -1.852  16.779 -13.779
  503    HB   VAL  68           HB       VAL  68   0.860  15.821 -12.815
  504   HG11  VAL  68          HG11      VAL  68  -0.638  13.895 -12.630
  505   HG12  VAL  68          HG12      VAL  68  -1.306  14.213 -14.251
  506   HG13  VAL  68          HG13      VAL  68   0.384  13.700 -14.048
  507   HG21  VAL  68          HG21      VAL  68   0.980  17.196 -14.811
  508   HG22  VAL  68          HG22      VAL  68   1.188  15.529 -15.321
  509   HG23  VAL  68          HG23      VAL  68  -0.374  16.328 -15.568
  510    H    VAL  69           H        VAL  69  -0.367  16.858 -10.498
  511    HA   VAL  69           HA       VAL  69  -2.078  14.722  -9.601
  512    HB   VAL  69           HB       VAL  69   0.263  15.253  -8.818
  513   HG11  VAL  69          HG11      VAL  69   0.586  16.608  -6.838
  514   HG12  VAL  69          HG12      VAL  69  -0.103  17.638  -8.104
  515   HG13  VAL  69          HG13      VAL  69  -1.129  17.044  -6.780
  516   HG21  VAL  69          HG21      VAL  69  -1.087  13.475  -7.919
  517   HG22  VAL  69          HG22      VAL  69  -0.133  14.233  -6.648
  518   HG23  VAL  69          HG23      VAL  69  -1.874  14.587  -6.771
  519    H    GLY  70           H        GLY  70  -2.245  18.293  -9.296
  520    HA2  GLY  70           HA2      GLY  70  -3.973  19.670  -8.614
  521    HA3  GLY  70           HA3      GLY  70  -5.063  18.300  -8.865
  522    H    GLY  71           H        GLY  71  -6.305  18.205  -7.109
  523    HA2  GLY  71           HA2      GLY  71  -5.263  18.536  -4.357
  524    HA3  GLY  71           HA3      GLY  71  -6.955  18.313  -4.861
  525    H    CYS  72           H        CYS  72  -5.019  15.949  -6.347
  526    HA   CYS  72           HA       CYS  72  -6.230  13.854  -4.679
  527    HB2  CYS  72           HB2      CYS  72  -4.440  13.696  -7.150
  528    HB3  CYS  72           HB3      CYS  72  -5.282  12.338  -6.399
  529    HG   CYS  72           HG       CYS  72  -6.721  15.162  -7.466
  530    H    CYS  73           H        CYS  73  -4.980  12.003  -3.877
  531    HA   CYS  73           HA       CYS  73  -2.600  12.840  -2.352
  532    HB2  CYS  73           HB2      CYS  73  -4.192  10.229  -2.470
  533    HB3  CYS  73           HB3      CYS  73  -2.864  10.548  -1.344
  534    HG   CYS  73           HG       CYS  73  -3.941  12.673  -0.206
  535    H    TYR  74           H        TYR  74  -0.562  11.667  -2.402
  536    HA   TYR  74           HA       TYR  74  -0.051   9.777  -4.516
  537    HB2  TYR  74           HB2      TYR  74   1.436  11.008  -5.888
  538    HB3  TYR  74           HB3      TYR  74  -0.024  11.949  -5.777
  539    HD1  TYR  74           HD2      TYR  74  -0.073  13.954  -4.124
  540    HD2  TYR  74           HD1      TYR  74   3.554  11.944  -5.302
  541    HE1  TYR  74           HE2      TYR  74   1.252  15.944  -3.446
  542    HE2  TYR  74           HE1      TYR  74   4.882  13.932  -4.638
  543    HH   TYR  74           HH       TYR  74   3.355  16.892  -3.287
  544    H    ARG  75           H        ARG  75   2.169   9.019  -4.663
  545    HA   ARG  75           HA       ARG  75   4.113   9.705  -2.593
  546    HB2  ARG  75           HB2      ARG  75   4.213   7.527  -1.520
  547    HB3  ARG  75           HB3      ARG  75   2.588   8.184  -1.353
  548    HG2  ARG  75           HG2      ARG  75   1.866   6.753  -3.311
  549    HG3  ARG  75           HG3      ARG  75   3.482   6.026  -3.321
  550    HD2  ARG  75           HD2      ARG  75   3.106   5.292  -0.945
  551    HD3  ARG  75           HD3      ARG  75   1.447   5.927  -1.057
  552    HE   ARG  75           HE       ARG  75   2.153   4.076  -3.222
  553   HH11  ARG  75          HH21      ARG  75   0.888   4.038   0.103
  554   HH12  ARG  75          HH22      ARG  75   0.167   2.475  -0.141
  555   HH21  ARG  75          HH11      ARG  75   1.285   2.242  -3.457
  556   HH22  ARG  75          HH12      ARG  75   0.392   1.408  -2.181
  557    H    VAL  76           H        VAL  76   6.178   8.555  -2.899
  558    HA   VAL  76           HA       VAL  76   6.681   7.729  -5.725
  559    HB   VAL  76           HB       VAL  76   8.592   8.138  -3.389
  560   HG11  VAL  76          HG11      VAL  76   9.175   7.460  -6.304
  561   HG12  VAL  76          HG12      VAL  76  10.393   7.962  -5.106
  562   HG13  VAL  76          HG13      VAL  76   9.528   6.447  -4.886
  563   HG21  VAL  76          HG21      VAL  76   7.624  10.264  -4.258
  564   HG22  VAL  76          HG22      VAL  76   9.352  10.115  -4.591
  565   HG23  VAL  76          HG23      VAL  76   8.173   9.826  -5.892
  566    H    ASN  77           H        ASN  77   6.986   5.594  -6.272
  567    HA   ASN  77           HA       ASN  77   7.752   3.565  -4.343
  568    HB2  ASN  77           HB2      ASN  77   5.354   3.825  -3.738
  569    HB3  ASN  77           HB3      ASN  77   4.905   3.530  -5.409
  570   HD21  ASN  77          HD22      ASN  77   3.580   1.813  -4.432
  571   HD22  ASN  77          HD21      ASN  77   4.330   0.254  -4.069
  572    H    ASN  78           H        ASN  78   9.400   3.075  -5.777
  573    HA   ASN  78           HA       ASN  78   8.864   2.184  -8.536
  574    HB2  ASN  78           HB2      ASN  78  11.352   2.034  -6.779
  575    HB3  ASN  78           HB3      ASN  78  11.279   1.530  -8.472
  576   HD21  ASN  78          HD22      ASN  78  12.760   3.823  -6.977
  577   HD22  ASN  78          HD21      ASN  78  12.366   5.215  -7.973
  578    H    SER  79           H        SER  79   7.655   0.334  -8.745
  579    HA   SER  79           HA       SER  79   7.741  -1.861  -6.905
  580    HB2  SER  79           HB2      SER  79   6.302  -2.920  -8.711
  581    HB3  SER  79           HB3      SER  79   5.715  -1.375  -8.069
  582    HG   SER  79           HG       SER  79   5.634  -1.406 -10.375
  583    H    LEU  80           H        LEU  80   8.856  -1.509 -10.295
  584    HA   LEU  80           HA       LEU  80   9.941  -4.110 -10.494
  585    HB2  LEU  80           HB2      LEU  80  10.705  -1.698 -12.169
  586    HB3  LEU  80           HB3      LEU  80  10.846  -3.410 -12.596
  587    HG   LEU  80           HG       LEU  80   8.225  -1.892 -12.203
  588   HD11  LEU  80          HD11      LEU  80   8.023  -2.242 -14.682
  589   HD12  LEU  80          HD12      LEU  80   9.324  -1.145 -14.200
  590   HD13  LEU  80          HD13      LEU  80   9.706  -2.801 -14.696
  591   HD21  LEU  80          HD21      LEU  80   7.171  -3.936 -13.158
  592   HD22  LEU  80          HD22      LEU  80   8.725  -4.787 -13.053
  593   HD23  LEU  80          HD23      LEU  80   7.910  -4.215 -11.578
  594    H    ASP  81           H        ASP  81  11.342  -1.418  -8.948
  595    HA   ASP  81           HA       ASP  81  14.144  -1.983  -9.066
  596    HB2  ASP  81           HB2      ASP  81  13.026  -0.006  -7.973
  597    HB3  ASP  81           HB3      ASP  81  12.453  -1.090  -6.691
  598    H    HIS  82           H        HIS  82  11.502  -3.589  -7.378
  599    HA   HIS  82           HA       HIS  82  13.277  -5.379  -5.827
  600    HB2  HIS  82           HB2      HIS  82  11.163  -4.196  -4.990
  601    HB3  HIS  82           HB3      HIS  82  10.247  -5.300  -6.016
  602    HD1  HIS  82           HD1      HIS  82  12.514  -5.378  -2.884
  603    HD2  HIS  82           HD2      HIS  82   9.831  -7.758  -5.080
  604    HE1  HIS  82           HE1      HIS  82  12.080  -7.447  -1.470
  605    H    GLU  83           H        GLU  83  12.178  -5.323  -9.000
  606    HA   GLU  83           HA       GLU  83  11.730  -8.260  -9.241
  607    HB2  GLU  83           HB2      GLU  83  11.117  -5.994 -11.189
  608    HB3  GLU  83           HB3      GLU  83  10.870  -7.714 -11.486
  609    HG2  GLU  83           HG2      GLU  83   9.473  -6.086  -9.325
  610    HG3  GLU  83           HG3      GLU  83   8.783  -6.584 -10.867
  611    H    TYR  84           H        TYR  84  13.494  -5.566 -10.788
  612    HA   TYR  84           HA       TYR  84  15.577  -7.468 -11.801
  613    HB2  TYR  84           HB2      TYR  84  14.879  -4.945 -13.254
  614    HB3  TYR  84           HB3      TYR  84  15.513  -6.454 -13.900
  615    HD1  TYR  84           HD1      TYR  84  13.668  -8.529 -13.561
  616    HD2  TYR  84           HD2      TYR  84  12.800  -4.320 -13.918
  617    HE1  TYR  84           HE1      TYR  84  11.324  -9.068 -14.202
  618    HE2  TYR  84           HE2      TYR  84  10.474  -4.863 -14.587
  619    HH   TYR  84           HH       TYR  84   9.193  -8.184 -14.681
  620    H    GLN  85           H        GLN  85  17.620  -6.260 -12.527
  621    HA   GLN  85           HA       GLN  85  18.549  -4.413 -10.484
  622    HB2  GLN  85           HB2      GLN  85  19.782  -5.419 -13.073
  623    HB3  GLN  85           HB3      GLN  85  20.580  -4.237 -12.036
  624    HG2  GLN  85           HG2      GLN  85  19.695  -7.020 -11.163
  625    HG3  GLN  85           HG3      GLN  85  21.344  -6.579 -11.616
  626   HE21  GLN  85          HE22      GLN  85  20.192  -7.608  -8.972
  627   HE22  GLN  85          HE21      GLN  85  20.717  -6.399  -7.808
  628    HA   PRO  86           HA       PRO  86  16.699  -0.885 -12.250
  629    HB2  PRO  86           HB2      PRO  86  18.294   1.221 -11.437
  630    HB3  PRO  86           HB3      PRO  86  17.227   0.275 -10.352
  631    HG2  PRO  86           HG2      PRO  86  20.192  -0.129 -10.852
  632    HG3  PRO  86           HG3      PRO  86  19.340  -0.023  -9.276
  633    HD2  PRO  86           HD2      PRO  86  19.958  -2.410 -10.363
  634    HD3  PRO  86           HD3      PRO  86  18.379  -2.175  -9.557
  635    H    ARG  87           H        ARG  87  16.623   0.445 -14.045
  636    HA   ARG  87           HA       ARG  87  18.709  -0.087 -16.057
  637    HB2  ARG  87           HB2      ARG  87  16.139   1.436 -16.563
  638    HB3  ARG  87           HB3      ARG  87  17.158   0.599 -17.713
  639    HG2  ARG  87           HG2      ARG  87  15.156  -0.530 -15.781
  640    HG3  ARG  87           HG3      ARG  87  15.258  -0.721 -17.520
  641    HD2  ARG  87           HD2      ARG  87  16.897  -2.086 -15.382
  642    HD3  ARG  87           HD3      ARG  87  15.763  -2.828 -16.500
  643    HE   ARG  87           HE       ARG  87  17.426  -2.051 -18.323
  644   HH11  ARG  87          HH21      ARG  87  18.439  -3.244 -15.119
  645   HH12  ARG  87          HH22      ARG  87  19.975  -3.788 -15.732
  646   HH21  ARG  87          HH11      ARG  87  19.438  -2.786 -19.010
  647   HH22  ARG  87          HH12      ARG  87  20.515  -3.558 -17.893
  648    HA   PRO  88           HA       PRO  88  20.687   3.866 -15.970
  649    HB2  PRO  88           HB2      PRO  88  20.343   4.199 -18.933
  650    HB3  PRO  88           HB3      PRO  88  21.836   4.235 -17.953
  651    HG2  PRO  88           HG2      PRO  88  21.218   2.076 -19.471
  652    HG3  PRO  88           HG3      PRO  88  21.900   1.874 -17.820
  653    HD2  PRO  88           HD2      PRO  88  18.986   1.723 -18.670
  654    HD3  PRO  88           HD3      PRO  88  19.919   0.586 -17.651
  655    H    VAL  89           H        VAL  89  19.668   5.602 -15.094
  656    HA   VAL  89           HA       VAL  89  17.014   6.215 -15.503
  657    HB   VAL  89           HB       VAL  89  18.373   6.860 -13.546
  658   HG11  VAL  89          HG11      VAL  89  19.586   8.964 -13.424
  659   HG12  VAL  89          HG12      VAL  89  20.306   7.948 -14.681
  660   HG13  VAL  89          HG13      VAL  89  19.257   9.313 -15.126
  661   HG21  VAL  89          HG21      VAL  89  17.133   8.878 -13.002
  662   HG22  VAL  89          HG22      VAL  89  16.719   9.146 -14.704
  663   HG23  VAL  89          HG23      VAL  89  16.102   7.712 -13.860
  664    H    GLU  90           H        GLU  90  19.717   7.685 -17.260
  665    HA   GLU  90           HA       GLU  90  18.266   9.781 -18.496
  666    HB2  GLU  90           HB2      GLU  90  20.060   9.878 -20.114
  667    HB3  GLU  90           HB3      GLU  90  20.693   9.656 -18.481
  668    HG2  GLU  90           HG2      GLU  90  21.012   7.200 -19.012
  669    HG3  GLU  90           HG3      GLU  90  20.514   7.551 -20.672
  670    H    VAL  91           H        VAL  91  18.555   6.353 -19.379
  671    HA   VAL  91           HA       VAL  91  17.178   6.679 -21.899
  672    HB   VAL  91           HB       VAL  91  17.648   4.078 -20.414
  673   HG11  VAL  91          HG11      VAL  91  17.456   3.087 -22.702
  674   HG12  VAL  91          HG12      VAL  91  15.946   3.853 -22.195
  675   HG13  VAL  91          HG13      VAL  91  17.014   4.686 -23.337
  676   HG21  VAL  91          HG21      VAL  91  19.330   5.427 -22.583
  677   HG22  VAL  91          HG22      VAL  91  19.811   5.220 -20.889
  678   HG23  VAL  91          HG23      VAL  91  19.605   3.801 -21.916
  679    H    ILE  92           H        ILE  92  16.150   5.809 -18.572
  680    HA   ILE  92           HA       ILE  92  13.395   5.187 -19.246
  681    HB   ILE  92           HB       ILE  92  14.447   6.397 -16.642
  682   HG12  ILE  92          HG12      ILE  92  14.262   3.429 -17.345
  683   HG13  ILE  92          HG13      ILE  92  15.767   4.341 -17.251
  684   HG21  ILE  92          HG21      ILE  92  11.951   6.349 -16.965
  685   HG22  ILE  92          HG22      ILE  92  12.040   4.586 -17.191
  686   HG23  ILE  92          HG23      ILE  92  12.479   5.342 -15.635
  687   HD11  ILE  92          HD11      ILE  92  15.253   4.899 -14.854
  688   HD12  ILE  92          HD12      ILE  92  13.900   3.743 -14.943
  689   HD13  ILE  92          HD13      ILE  92  15.558   3.186 -15.189
  690    H    ILE  93           H        ILE  93  14.953   8.277 -18.297
  691    HA   ILE  93           HA       ILE  93  12.591   9.861 -18.699
  692    HB   ILE  93           HB       ILE  93  15.555  10.490 -18.554
  693   HG12  ILE  93          HG12      ILE  93  13.209  11.057 -16.652
  694   HG13  ILE  93          HG13      ILE  93  14.266   9.646 -16.499
  695   HG21  ILE  93          HG21      ILE  93  14.588  12.281 -19.914
  696   HG22  ILE  93          HG22      ILE  93  13.241  12.480 -18.767
  697   HG23  ILE  93          HG23      ILE  93  14.904  12.917 -18.311
  698   HD11  ILE  93          HD11      ILE  93  14.912  11.290 -14.889
  699   HD12  ILE  93          HD12      ILE  93  16.205  11.115 -16.103
  700   HD13  ILE  93          HD13      ILE  93  15.127  12.534 -16.130
  701    H    SER  94           H        SER  94  15.185   8.888 -20.947
  702    HA   SER  94           HA       SER  94  14.282  10.571 -23.077
  703    HB2  SER  94           HB2      SER  94  16.567   9.577 -22.895
  704    HB3  SER  94           HB3      SER  94  15.865   7.986 -23.258
  705    HG   SER  94           HG       SER  94  16.729   9.087 -25.143
  706    H    SER  95           H        SER  95  13.506   7.218 -22.170
  707    HA   SER  95           HA       SER  95  11.874   6.649 -24.442
  708    HB2  SER  95           HB2      SER  95  11.286   4.676 -23.308
  709    HB3  SER  95           HB3      SER  95  12.983   5.045 -22.854
  710    HG   SER  95           HG       SER  95  11.678   4.385 -21.046
  711    H    ALA  96           H        ALA  96  11.102   7.972 -21.177
  712    HA   ALA  96           HA       ALA  96   8.327   8.296 -21.559
  713    HB1  ALA  96           HB1      ALA  96  10.261  10.131 -20.044
  714    HB2  ALA  96           HB2      ALA  96   8.546   9.833 -19.680
  715    HB3  ALA  96           HB3      ALA  96   9.740   8.558 -19.438
  716    H    LYS  97           H        LYS  97  10.992  10.636 -22.275
  717    HA   LYS  97           HA       LYS  97   9.332  12.657 -23.400
  718    HB2  LYS  97           HB2      LYS  97  12.266  11.926 -23.714
  719    HB3  LYS  97           HB3      LYS  97  11.557  13.336 -24.515
  720    HG2  LYS  97           HG2      LYS  97  10.969  14.370 -22.426
  721    HG3  LYS  97           HG3      LYS  97  11.406  12.930 -21.491
  722    HD2  LYS  97           HD2      LYS  97  13.741  13.132 -22.138
  723    HD3  LYS  97           HD3      LYS  97  13.363  14.471 -23.246
  724    HE2  LYS  97           HE2      LYS  97  12.543  15.816 -21.280
  725    HE3  LYS  97           HE3      LYS  97  13.064  14.515 -20.199
  726    HZ1  LYS  97           HZ1      LYS  97  15.367  14.879 -21.028
  727    HZ2  LYS  97           HZ2      LYS  97  14.848  16.093 -21.998
  728    HZ3  LYS  97           HZ3      LYS  97  14.764  16.258 -20.381
  729    H    GLU  98           H        GLU  98  10.998   9.953 -25.014
  730    HA   GLU  98           HA       GLU  98  10.132  10.602 -27.648
  731    HB2  GLU  98           HB2      GLU  98  11.051   8.015 -26.370
  732    HB3  GLU  98           HB3      GLU  98  10.553   8.081 -28.055
  733    HG2  GLU  98           HG2      GLU  98  12.778   9.810 -26.896
  734    HG3  GLU  98           HG3      GLU  98  13.022   8.272 -27.720
  735    H    MET  99           H        MET  99   8.548   8.643 -25.103
  736    HA   MET  99           HA       MET  99   6.412   7.846 -26.841
  737    HB2  MET  99           HB2      MET  99   6.788   7.698 -23.840
  738    HB3  MET  99           HB3      MET  99   5.350   7.084 -24.673
  739    HG2  MET  99           HG2      MET  99   8.167   6.241 -25.460
  740    HG3  MET  99           HG3      MET  99   7.262   5.393 -24.237
  741    HE1  MET  99           HE1      MET  99   4.371   4.848 -25.121
  742    HE2  MET  99           HE2      MET  99   4.687   3.337 -26.000
  743    HE3  MET  99           HE3      MET  99   5.611   3.708 -24.523
  744    H    VAL 100           H        VAL 100   6.709  10.621 -24.597
  745    HA   VAL 100           HA       VAL 100   4.097  11.603 -24.678
  746    HB   VAL 100           HB       VAL 100   6.631  13.222 -24.987
  747   HG11  VAL 100          HG11      VAL 100   3.791  14.200 -24.396
  748   HG12  VAL 100          HG12      VAL 100   5.269  15.170 -24.204
  749   HG13  VAL 100          HG13      VAL 100   4.781  14.629 -25.811
  750   HG21  VAL 100          HG21      VAL 100   6.231  11.900 -22.837
  751   HG22  VAL 100          HG22      VAL 100   6.403  13.646 -22.640
  752   HG23  VAL 100          HG23      VAL 100   4.791  12.888 -22.580
  753    H    GLY 101           H        GLY 101   2.659  12.149 -26.071
  754    HA2  GLY 101           HA2      GLY 101   1.771  13.069 -28.072
  755    HA3  GLY 101           HA3      GLY 101   3.316  12.798 -28.911
  756    H    GLN 102           H        GLN 102   3.088   9.898 -27.472
  757    HA   GLN 102           HA       GLN 102   1.817   8.609 -29.701
  758    HB2  GLN 102           HB2      GLN 102   2.891   7.493 -27.098
  759    HB3  GLN 102           HB3      GLN 102   2.295   6.510 -28.419
  760    HG2  GLN 102           HG2      GLN 102   4.588   8.483 -28.761
  761    HG3  GLN 102           HG3      GLN 102   4.818   6.807 -28.275
  762   HE21  GLN 102          HE22      GLN 102   6.235   7.180 -30.353
  763   HE22  GLN 102          HE21      GLN 102   5.448   6.711 -31.853
  764    H    LYS 103           H        LYS 103   0.072   7.116 -29.525
  765    HA   LYS 103           HA       LYS 103  -1.931   7.713 -27.390
  766    HB2  LYS 103           HB2      LYS 103  -2.362   7.361 -30.377
  767    HB3  LYS 103           HB3      LYS 103  -3.674   7.342 -29.186
  768    HG2  LYS 103           HG2      LYS 103  -3.111   9.620 -28.458
  769    HG3  LYS 103           HG3      LYS 103  -1.750   9.677 -29.596
  770    HD2  LYS 103           HD2      LYS 103  -3.317   9.397 -31.500
  771    HD3  LYS 103           HD3      LYS 103  -4.689   9.376 -30.362
  772    HE2  LYS 103           HE2      LYS 103  -4.075  11.641 -29.566
  773    HE3  LYS 103           HE3      LYS 103  -2.682  11.663 -30.650
  774    HZ1  LYS 103           HZ1      LYS 103  -5.519  11.530 -31.546
  775    HZ2  LYS 103           HZ2      LYS 103  -4.565  12.855 -31.606
  776    HZ3  LYS 103           HZ3      LYS 103  -4.220  11.562 -32.541
  777    H    MET 104           H        MET 104  -3.272   6.111 -26.712
  778    HA   MET 104           HA       MET 104  -2.635   3.260 -27.406
  779    HB2  MET 104           HB2      MET 104  -3.321   4.385 -24.655
  780    HB3  MET 104           HB3      MET 104  -2.969   2.703 -25.040
  781    HG2  MET 104           HG2      MET 104  -0.995   5.018 -25.231
  782    HG3  MET 104           HG3      MET 104  -1.095   3.839 -23.927
  783    HE1  MET 104           HE1      MET 104   1.557   4.612 -25.496
  784    HE2  MET 104           HE2      MET 104   1.461   3.468 -24.134
  785    HE3  MET 104           HE3      MET 104   2.294   3.001 -25.630
  786    H    LYS 105           H        LYS 105  -4.428   1.806 -27.297
  787    HA   LYS 105           HA       LYS 105  -7.101   2.969 -27.641
  788    HB2  LYS 105           HB2      LYS 105  -6.119   0.090 -27.398
  789    HB3  LYS 105           HB3      LYS 105  -7.792   0.557 -27.746
  790    HG2  LYS 105           HG2      LYS 105  -7.015   1.781 -29.782
  791    HG3  LYS 105           HG3      LYS 105  -5.371   1.204 -29.496
  792    HD2  LYS 105           HD2      LYS 105  -7.803  -0.565 -30.006
  793    HD3  LYS 105           HD3      LYS 105  -6.585  -0.113 -31.204
  794    HE2  LYS 105           HE2      LYS 105  -4.818  -1.221 -29.830
  795    HE3  LYS 105           HE3      LYS 105  -6.047  -1.727 -28.665
  796    HZ1  LYS 105           HZ1      LYS 105  -7.112  -3.014 -30.450
  797    HZ2  LYS 105           HZ2      LYS 105  -5.972  -2.547 -31.525
  798    HZ3  LYS 105           HZ3      LYS 105  -5.564  -3.495 -30.261
  799    H    TYR 106           H        TYR 106  -8.910   2.679 -26.289
  800    HA   TYR 106           HA       TYR 106  -8.516   1.799 -23.477
  801    HB2  TYR 106           HB2      TYR 106  -7.903   4.307 -23.963
  802    HB3  TYR 106           HB3      TYR 106  -9.631   4.547 -24.134
  803    HD1  TYR 106           HD1      TYR 106  -6.884   3.581 -21.842
  804    HD2  TYR 106           HD2      TYR 106 -11.058   4.643 -22.158
  805    HE1  TYR 106           HE1      TYR 106  -6.979   3.949 -19.384
  806    HE2  TYR 106           HE2      TYR 106 -11.133   5.036 -19.698
  807    HH   TYR 106           HH       TYR 106  -9.988   4.984 -17.708
  808    H    SER 107           H        SER 107 -10.371   0.879 -22.621
  809    HA   SER 107           HA       SER 107 -12.922   1.116 -24.205
  810    HB2  SER 107           HB2      SER 107 -13.179  -1.263 -23.846
  811    HB3  SER 107           HB3      SER 107 -11.590  -0.944 -24.556
  812    HG   SER 107           HG       SER 107 -11.370  -2.405 -22.835
  813    H    ILE 108           H        ILE 108 -11.811   2.007 -21.262
  814    HA   ILE 108           HA       ILE 108 -12.416   2.234 -19.138
  815    HB   ILE 108           HB       ILE 108 -14.591   2.834 -18.488
  816   HG12  ILE 108          HG12      ILE 108 -15.762   2.190 -21.204
  817   HG13  ILE 108          HG13      ILE 108 -15.897   1.105 -19.820
  818   HG21  ILE 108          HG21      ILE 108 -13.212   4.456 -19.664
  819   HG22  ILE 108          HG22      ILE 108 -13.898   3.971 -21.229
  820   HG23  ILE 108          HG23      ILE 108 -14.908   4.762 -20.004
  821   HD11  ILE 108          HD11      ILE 108 -16.993   3.940 -19.987
  822   HD12  ILE 108          HD12      ILE 108 -17.911   2.432 -19.983
  823   HD13  ILE 108          HD13      ILE 108 -17.020   2.922 -18.530
  824    H    VAL 109           H        VAL 109 -14.000  -0.503 -20.557
  825    HA   VAL 109           HA       VAL 109 -14.345  -2.075 -18.160
  826    HB   VAL 109           HB       VAL 109 -13.929  -2.901 -21.065
  827   HG11  VAL 109          HG11      VAL 109 -14.989  -5.074 -20.403
  828   HG12  VAL 109          HG12      VAL 109 -13.410  -4.836 -19.655
  829   HG13  VAL 109          HG13      VAL 109 -14.886  -4.579 -18.698
  830   HG21  VAL 109          HG21      VAL 109 -16.391  -3.248 -21.055
  831   HG22  VAL 109          HG22      VAL 109 -16.470  -2.613 -19.399
  832   HG23  VAL 109          HG23      VAL 109 -15.966  -1.561 -20.740
  833    H    SER 110           H        SER 110 -11.595  -1.599 -20.432
  834    HA   SER 110           HA       SER 110  -9.768  -2.852 -18.415
  835    HB2  SER 110           HB2      SER 110  -9.992  -4.139 -20.582
  836    HB3  SER 110           HB3      SER 110  -9.288  -2.734 -21.410
  837    HG   SER 110           HG       SER 110  -7.709  -4.361 -20.771
  838    H    ARG 111           H        ARG 111  -7.576  -1.924 -18.469
  839    HA   ARG 111           HA       ARG 111  -7.401   0.954 -19.142
  840    HB2  ARG 111           HB2      ARG 111  -8.537   0.635 -16.882
  841    HB3  ARG 111           HB3      ARG 111  -7.028  -0.065 -16.291
  842    HG2  ARG 111           HG2      ARG 111  -5.863   2.111 -16.880
  843    HG3  ARG 111           HG3      ARG 111  -7.417   2.745 -17.421
  844    HD2  ARG 111           HD2      ARG 111  -7.120   3.586 -15.236
  845    HD3  ARG 111           HD3      ARG 111  -8.299   2.274 -15.065
  846    HE   ARG 111           HE       ARG 111  -5.492   1.444 -14.699
  847   HH11  ARG 111          HH11      ARG 111  -8.291   2.675 -12.842
  848   HH12  ARG 111          HH12      ARG 111  -7.512   2.187 -11.342
  849   HH21  ARG 111          HH21      ARG 111  -4.727   0.855 -12.873
  850   HH22  ARG 111          HH22      ARG 111  -5.596   1.107 -11.337
  851    H    ASN 112           H        ASN 112  -5.341   1.691 -19.374
  852    HA   ASN 112           HA       ASN 112  -3.020  -0.080 -18.759
  853    HB2  ASN 112           HB2      ASN 112  -2.167   0.340 -21.068
  854    HB3  ASN 112           HB3      ASN 112  -3.634  -0.617 -20.981
  855   HD21  ASN 112          HD22      ASN 112  -3.998  -0.089 -23.250
  856   HD22  ASN 112          HD21      ASN 112  -4.806   1.428 -23.616
  857    H    CYS 113           H        CYS 113  -4.122   2.924 -18.018
  858    HA   CYS 113           HA       CYS 113  -2.061   4.719 -18.719
  859    HB2  CYS 113           HB2      CYS 113  -3.829   4.702 -16.203
  860    HB3  CYS 113           HB3      CYS 113  -2.935   6.090 -16.833
  861    HG   CYS 113           HG       CYS 113  -5.432   6.436 -17.349
  862    H    GLU 114           H        GLU 114  -2.092   2.371 -16.128
  863    HA   GLU 114           HA       GLU 114   0.346   3.407 -14.823
  864    HB2  GLU 114           HB2      GLU 114   0.098   1.675 -13.256
  865    HB3  GLU 114           HB3      GLU 114  -1.434   2.514 -13.416
  866    HG2  GLU 114           HG2      GLU 114  -0.718  -0.254 -14.457
  867    HG3  GLU 114           HG3      GLU 114  -1.740   0.130 -13.083
  868    H    HIS 115           H        HIS 115  -0.684   0.509 -16.681
  869    HA   HIS 115           HA       HIS 115   1.797  -0.806 -16.831
  870    HB2  HIS 115           HB2      HIS 115  -0.391  -1.750 -17.496
  871    HB3  HIS 115           HB3      HIS 115  -0.463  -0.663 -18.880
  872    HD1  HIS 115           HD1      HIS 115   0.122  -1.993 -21.035
  873    HD2  HIS 115           HD2      HIS 115   2.209  -3.269 -17.611
  874    HE1  HIS 115           HE1      HIS 115   1.589  -3.930 -21.775
  875    H    PHE 116           H        PHE 116   0.631   1.873 -18.904
  876    HA   PHE 116           HA       PHE 116   2.749   2.002 -20.734
  877    HB2  PHE 116           HB2      PHE 116   0.895   3.465 -21.025
  878    HB3  PHE 116           HB3      PHE 116   1.015   4.097 -19.387
  879    HD1  PHE 116           HD1      PHE 116   3.299   3.769 -22.382
  880    HD2  PHE 116           HD2      PHE 116   1.842   6.272 -19.185
  881    HE1  PHE 116           HE1      PHE 116   4.924   5.528 -23.003
  882    HE2  PHE 116           HE2      PHE 116   3.467   8.035 -19.833
  883    HZ   PHE 116           HZ       PHE 116   5.025   7.652 -21.727
  884    H    VAL 117           H        VAL 117   2.772   3.316 -17.329
  885    HA   VAL 117           HA       VAL 117   5.398   4.521 -17.926
  886    HB   VAL 117           HB       VAL 117   5.440   5.375 -15.640
  887   HG11  VAL 117          HG11      VAL 117   4.500   6.665 -17.544
  888   HG12  VAL 117          HG12      VAL 117   2.878   6.053 -17.135
  889   HG13  VAL 117          HG13      VAL 117   3.758   7.082 -15.995
  890   HG21  VAL 117          HG21      VAL 117   3.979   3.611 -14.564
  891   HG22  VAL 117          HG22      VAL 117   3.575   5.291 -14.174
  892   HG23  VAL 117          HG23      VAL 117   2.582   4.403 -15.339
  893    H    THR 118           H        THR 118   4.320   1.513 -16.415
  894    HA   THR 118           HA       THR 118   6.973   0.929 -15.286
  895    HB   THR 118           HB       THR 118   6.032  -1.430 -15.240
  896    HG1  THR 118           HG1      THR 118   3.835  -1.621 -15.639
  897   HG21  THR 118          HG21      THR 118   5.906   0.109 -13.273
  898   HG22  THR 118          HG22      THR 118   4.359   0.740 -13.881
  899   HG23  THR 118          HG23      THR 118   4.493  -0.958 -13.375
  900    H    GLN 119           H        GLN 119   5.224   0.162 -18.311
  901    HA   GLN 119           HA       GLN 119   7.319  -1.305 -19.533
  902    HB2  GLN 119           HB2      GLN 119   5.053   0.358 -20.680
  903    HB3  GLN 119           HB3      GLN 119   6.182  -0.508 -21.705
  904    HG2  GLN 119           HG2      GLN 119   4.526  -1.876 -19.540
  905    HG3  GLN 119           HG3      GLN 119   4.028  -1.731 -21.219
  906   HE21  GLN 119          HE22      GLN 119   4.104  -4.232 -20.290
  907   HE22  GLN 119          HE21      GLN 119   5.530  -5.087 -20.892
  908    H    LEU 120           H        LEU 120   7.028   2.233 -19.149
  909    HA   LEU 120           HA       LEU 120   9.112   2.944 -20.994
  910    HB2  LEU 120           HB2      LEU 120   8.348   4.191 -18.310
  911    HB3  LEU 120           HB3      LEU 120   9.500   4.900 -19.427
  912    HG   LEU 120           HG       LEU 120   6.554   4.463 -20.032
  913   HD11  LEU 120          HD11      LEU 120   8.183   6.947 -19.423
  914   HD12  LEU 120          HD12      LEU 120   6.467   6.931 -19.879
  915   HD13  LEU 120          HD13      LEU 120   6.979   6.196 -18.356
  916   HD21  LEU 120          HD21      LEU 120   8.832   5.581 -21.708
  917   HD22  LEU 120          HD22      LEU 120   7.670   4.304 -22.135
  918   HD23  LEU 120          HD23      LEU 120   7.126   5.979 -22.011
  919    H    ARG 121           H        ARG 121   9.361   1.518 -17.771
  920    HA   ARG 121           HA       ARG 121  12.326   1.761 -17.743
  921    HB2  ARG 121           HB2      ARG 121  10.991   2.226 -15.713
  922    HB3  ARG 121           HB3      ARG 121  10.404   0.562 -15.709
  923    HG2  ARG 121           HG2      ARG 121  12.734  -0.265 -15.465
  924    HG3  ARG 121           HG3      ARG 121  13.351   1.382 -15.495
  925    HD2  ARG 121           HD2      ARG 121  11.381   0.336 -13.402
  926    HD3  ARG 121           HD3      ARG 121  13.137   0.259 -13.233
  927    HE   ARG 121           HE       ARG 121  11.798   2.902 -13.685
  928   HH11  ARG 121          HH21      ARG 121  13.589   0.849 -11.407
  929   HH12  ARG 121          HH22      ARG 121  14.007   2.193 -10.397
  930   HH21  ARG 121          HH12      ARG 121  12.391   4.607 -12.310
  931   HH22  ARG 121          HH11      ARG 121  13.335   4.255 -10.893
  932    H    TYR 122           H        TYR 122   9.835  -0.882 -17.673
  933    HA   TYR 122           HA       TYR 122  11.759  -2.997 -17.874
  934    HB2  TYR 122           HB2      TYR 122   9.488  -3.259 -16.974
  935    HB3  TYR 122           HB3      TYR 122   8.799  -2.910 -18.552
  936    HD1  TYR 122           HD1      TYR 122  11.399  -5.240 -17.101
  937    HD2  TYR 122           HD2      TYR 122   8.027  -4.767 -19.740
  938    HE1  TYR 122           HE1      TYR 122  11.493  -7.660 -17.650
  939    HE2  TYR 122           HE2      TYR 122   8.111  -7.183 -20.292
  940    HH   TYR 122           HH       TYR 122   9.192  -9.200 -19.940
  941    H    GLY 123           H        GLY 123   9.937  -1.275 -20.395
  942    HA2  GLY 123           HA2      GLY 123  11.356  -2.713 -22.600
  943    HA3  GLY 123           HA3      GLY 123   9.818  -1.816 -22.711
  944    H    LYS 124           H        LYS 124  12.755  -0.702 -21.032
  945    HA   LYS 124           HA       LYS 124  12.806   1.868 -22.155
  946    HB2  LYS 124           HB2      LYS 124  14.993   2.083 -21.138
  947    HB3  LYS 124           HB3      LYS 124  13.933   1.184 -20.091
  948    HG2  LYS 124           HG2      LYS 124  15.880  -0.038 -19.903
  949    HG3  LYS 124           HG3      LYS 124  15.026  -0.966 -21.121
  950    HD2  LYS 124           HD2      LYS 124  16.512   0.958 -22.590
  951    HD3  LYS 124           HD3      LYS 124  17.584   0.513 -21.274
  952    HE2  LYS 124           HE2      LYS 124  17.471  -1.858 -21.908
  953    HE3  LYS 124           HE3      LYS 124  16.172  -1.526 -23.063
  954    HZ1  LYS 124           HZ1      LYS 124  18.257  -1.699 -24.236
  955    HZ2  LYS 124           HZ2      LYS 124  17.734  -0.140 -24.335
  956    HZ3  LYS 124           HZ3      LYS 124  18.967  -0.545 -23.322
  957    H    SER 125           H        SER 125  14.181   2.910 -23.683
  958    HA   SER 125           HA       SER 125  14.013   1.973 -26.233
  959    HB2  SER 125           HB2      SER 125  16.130   3.923 -25.297
  960    HB3  SER 125           HB3      SER 125  15.407   3.803 -26.909
  961    HG   SER 125           HG       SER 125  14.326   5.437 -25.741
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   8.319  26.176   7.205
    2    H2   MET   1           H2       MET   1   9.784  25.683   7.729
    3    H3   MET   1           H3       MET   1   9.410  25.562   6.144
    4    HA   MET   1           HA       MET   1   8.113  24.047   8.333
    5    HB2  MET   1           HB2      MET   1   7.682  23.861   5.310
    6    HB3  MET   1           HB3      MET   1   7.101  22.672   6.478
    7    HG2  MET   1           HG2      MET   1   5.756  24.417   7.609
    8    HG3  MET   1           HG3      MET   1   6.251  25.590   6.379
    9    HE1  MET   1           HE1      MET   1   3.226  24.998   7.167
   10    HE2  MET   1           HE2      MET   1   3.713  26.183   5.935
   11    HE3  MET   1           HE3      MET   1   2.471  24.967   5.562
   12    H    ALA   2           H        ALA   2   8.602  21.748   8.397
   13    HA   ALA   2           HA       ALA   2  11.422  21.168   7.945
   14    HB1  ALA   2           HB1      ALA   2  10.197  20.427   9.966
   15    HB2  ALA   2           HB2      ALA   2   9.126  19.423   8.955
   16    HB3  ALA   2           HB3      ALA   2  10.857  19.049   9.069
   17    H    SER   3           H        SER   3  12.170  19.159   6.876
   18    HA   SER   3           HA       SER   3  11.359  19.005   4.150
   19    HB2  SER   3           HB2      SER   3  13.034  17.056   5.783
   20    HB3  SER   3           HB3      SER   3  12.968  17.134   4.017
   21    HG   SER   3           HG       SER   3  14.792  18.294   4.875
   22    HA   PRO   4           HA       PRO   4   8.137  15.898   4.299
   23    HB2  PRO   4           HB2      PRO   4   8.106  14.965   1.742
   24    HB3  PRO   4           HB3      PRO   4   7.627  16.638   2.154
   25    HG2  PRO   4           HG2      PRO   4  10.336  15.672   1.169
   26    HG3  PRO   4           HG3      PRO   4   9.348  17.024   0.529
   27    HD2  PRO   4           HD2      PRO   4  11.369  17.422   2.310
   28    HD3  PRO   4           HD3      PRO   4   9.866  18.396   2.377
   29    H    HIS   5           H        HIS   5   7.761  13.583   4.204
   30    HA   HIS   5           HA       HIS   5  10.055  12.059   5.087
   31    HB2  HIS   5           HB2      HIS   5   7.187  11.191   4.511
   32    HB3  HIS   5           HB3      HIS   5   8.378  10.278   5.431
   33    HD1  HIS   5           HD1      HIS   5   5.542  12.378   6.148
   34    HD2  HIS   5           HD2      HIS   5   9.457  11.981   7.637
   35    HE1  HIS   5           HE1      HIS   5   5.525  13.400   8.480
   36    H    GLN   6           H        GLN   6   9.006  12.635   1.933
   37    HA   GLN   6           HA       GLN   6  10.648  10.528   0.766
   38    HB2  GLN   6           HB2      GLN   6   8.460   9.378   1.253
   39    HB3  GLN   6           HB3      GLN   6   7.628  10.580   0.265
   40    HG2  GLN   6           HG2      GLN   6   8.855   9.797  -1.737
   41    HG3  GLN   6           HG3      GLN   6   9.770   8.652  -0.746
   42   HE21  GLN   6          HE21      GLN   6   8.638   6.686   0.029
   43   HE22  GLN   6          HE22      GLN   6   7.097   6.254  -0.690
   44    H    GLU   7           H        GLU   7  11.249  11.036  -1.391
   45    HA   GLU   7           HA       GLU   7   9.998  13.368  -2.705
   46    HB2  GLU   7           HB2      GLU   7  11.923  14.211  -1.386
   47    HB3  GLU   7           HB3      GLU   7  12.991  13.080  -2.223
   48    HG2  GLU   7           HG2      GLU   7  12.384  14.221  -4.394
   49    HG3  GLU   7           HG3      GLU   7  11.434  15.381  -3.470
   50    HA   PRO   8           HA       PRO   8  10.697  10.422  -6.084
   51    HB2  PRO   8           HB2      PRO   8   9.667  11.787  -8.163
   52    HB3  PRO   8           HB3      PRO   8   8.635  11.163  -6.853
   53    HG2  PRO   8           HG2      PRO   8   9.728  13.975  -7.167
   54    HG3  PRO   8           HG3      PRO   8   8.049  13.467  -6.799
   55    HD2  PRO   8           HD2      PRO   8   9.821  14.208  -4.841
   56    HD3  PRO   8           HD3      PRO   8   8.571  12.950  -4.574
   57    H    LYS   9           H        LYS   9  12.313  10.011  -7.480
   58    HA   LYS   9           HA       LYS   9  14.143  12.213  -8.364
   59    HB2  LYS   9           HB2      LYS   9  14.642   9.276  -7.632
   60    HB3  LYS   9           HB3      LYS   9  15.838  10.245  -8.467
   61    HG2  LYS   9           HG2      LYS   9  14.781  10.677  -5.656
   62    HG3  LYS   9           HG3      LYS   9  16.413  10.222  -6.159
   63    HD2  LYS   9           HD2      LYS   9  16.505  12.498  -7.391
   64    HD3  LYS   9           HD3      LYS   9  15.025  12.911  -6.516
   65    HE2  LYS   9           HE2      LYS   9  16.264  12.241  -4.348
   66    HE3  LYS   9           HE3      LYS   9  17.739  12.201  -5.314
   67    HZ1  LYS   9           HZ1      LYS   9  17.216  14.602  -5.883
   68    HZ2  LYS   9           HZ2      LYS   9  16.003  14.552  -4.757
   69    HZ3  LYS   9           HZ3      LYS   9  17.552  14.346  -4.303
   70    HA   PRO  10           HA       PRO  10  13.322  11.460 -12.508
   71    HB2  PRO  10           HB2      PRO  10  15.784  11.202 -13.791
   72    HB3  PRO  10           HB3      PRO  10  14.998  12.729 -13.318
   73    HG2  PRO  10           HG2      PRO  10  17.100  11.165 -11.802
   74    HG3  PRO  10           HG3      PRO  10  17.020  12.933 -12.099
   75    HD2  PRO  10           HD2      PRO  10  16.223  11.914  -9.756
   76    HD3  PRO  10           HD3      PRO  10  15.269  13.212 -10.524
   77    H    GLY  11           H        GLY  11  12.527   9.747 -13.537
   78    HA2  GLY  11           HA2      GLY  11  12.473   7.611 -14.509
   79    HA3  GLY  11           HA3      GLY  11  13.895   7.107 -13.558
   80    H    ASP  12           H        ASP  12  11.960   8.544 -11.291
   81    HA   ASP  12           HA       ASP  12  11.012   6.042 -10.253
   82    HB2  ASP  12           HB2      ASP  12  10.605   8.906  -9.348
   83    HB3  ASP  12           HB3      ASP  12   9.882   7.537  -8.538
   84    H    LEU  13           H        LEU  13   8.968   5.382  -9.765
   85    HA   LEU  13           HA       LEU  13   6.785   6.279 -11.578
   86    HB2  LEU  13           HB2      LEU  13   6.972   3.893  -9.676
   87    HB3  LEU  13           HB3      LEU  13   5.667   4.211 -10.818
   88    HG   LEU  13           HG       LEU  13   8.553   3.454 -11.456
   89   HD11  LEU  13          HD11      LEU  13   7.505   1.494 -12.510
   90   HD12  LEU  13          HD12      LEU  13   7.041   1.604 -10.805
   91   HD13  LEU  13          HD13      LEU  13   5.892   2.091 -12.066
   92   HD21  LEU  13          HD21      LEU  13   7.758   3.514 -13.868
   93   HD22  LEU  13          HD22      LEU  13   6.334   4.427 -13.278
   94   HD23  LEU  13          HD23      LEU  13   7.958   5.095 -13.106
   95    H    ILE  14           H        ILE  14   5.222   7.543 -10.876
   96    HA   ILE  14           HA       ILE  14   4.868   7.954  -7.910
   97    HB   ILE  14           HB       ILE  14   4.271   9.879 -10.195
   98   HG12  ILE  14          HG12      ILE  14   6.277   9.930  -7.887
   99   HG13  ILE  14          HG13      ILE  14   6.649   9.803  -9.610
  100   HG21  ILE  14          HG21      ILE  14   3.745  10.193  -7.196
  101   HG22  ILE  14          HG22      ILE  14   3.447  11.426  -8.444
  102   HG23  ILE  14          HG23      ILE  14   2.491   9.963  -8.433
  103   HD11  ILE  14          HD11      ILE  14   7.131  12.037  -8.892
  104   HD12  ILE  14          HD12      ILE  14   5.693  12.111  -9.934
  105   HD13  ILE  14          HD13      ILE  14   5.536  12.237  -8.163
  106    H    GLU  15           H        GLU  15   3.032   7.358  -7.080
  107    HA   GLU  15           HA       GLU  15   0.847   6.238  -8.774
  108    HB2  GLU  15           HB2      GLU  15   2.150   4.624  -7.469
  109    HB3  GLU  15           HB3      GLU  15   1.878   5.535  -5.982
  110    HG2  GLU  15           HG2      GLU  15  -0.433   4.962  -5.917
  111    HG3  GLU  15           HG3      GLU  15  -0.434   4.403  -7.589
  112    H    ILE  16           H        ILE  16  -1.075   7.206  -8.570
  113    HA   ILE  16           HA       ILE  16  -1.436   9.356  -6.509
  114    HB   ILE  16           HB       ILE  16  -2.395   9.349  -9.392
  115   HG12  ILE  16          HG12      ILE  16   0.021  10.861  -8.305
  116   HG13  ILE  16          HG13      ILE  16   0.132   9.417  -9.301
  117   HG21  ILE  16          HG21      ILE  16  -3.667  10.753  -7.720
  118   HG22  ILE  16          HG22      ILE  16  -2.175  11.643  -7.381
  119   HG23  ILE  16          HG23      ILE  16  -2.916  11.706  -8.995
  120   HD11  ILE  16          HD11      ILE  16  -1.027  10.544 -11.154
  121   HD12  ILE  16          HD12      ILE  16  -1.018  12.061 -10.219
  122   HD13  ILE  16          HD13      ILE  16   0.510  11.302 -10.698
  123    H    PHE  17           H        PHE  17  -3.131   9.092  -5.256
  124    HA   PHE  17           HA       PHE  17  -5.222   7.081  -5.873
  125    HB2  PHE  17           HB2      PHE  17  -4.409   8.521  -3.325
  126    HB3  PHE  17           HB3      PHE  17  -5.805   7.455  -3.447
  127    HD1  PHE  17           HD2      PHE  17  -2.077   7.572  -3.623
  128    HD2  PHE  17           HD1      PHE  17  -5.582   5.060  -3.500
  129    HE1  PHE  17           HE2      PHE  17  -0.646   5.574  -3.277
  130    HE2  PHE  17           HE1      PHE  17  -4.145   3.077  -3.114
  131    HZ   PHE  17           HZ       PHE  17  -1.676   3.331  -3.006
  132    H    ARG  18           H        ARG  18  -6.041   8.447  -7.578
  133    HA   ARG  18           HA       ARG  18  -7.513  10.890  -6.895
  134    HB2  ARG  18           HB2      ARG  18  -7.813   9.164  -9.400
  135    HB3  ARG  18           HB3      ARG  18  -8.284  10.848  -9.177
  136    HG2  ARG  18           HG2      ARG  18  -5.757  11.333  -8.845
  137    HG3  ARG  18           HG3      ARG  18  -5.482   9.693  -9.430
  138    HD2  ARG  18           HD2      ARG  18  -5.236  11.183 -11.293
  139    HD3  ARG  18           HD3      ARG  18  -6.726  10.281 -11.535
  140    HE   ARG  18           HE       ARG  18  -6.473  13.123 -10.589
  141   HH11  ARG  18          HH11      ARG  18  -8.538  10.702 -12.190
  142   HH12  ARG  18          HH12      ARG  18  -9.769  11.878 -12.527
  143   HH21  ARG  18          HH21      ARG  18  -8.106  14.554 -11.079
  144   HH22  ARG  18          HH22      ARG  18  -9.521  14.019 -11.928
  145    H    LEU  19           H        LEU  19  -9.907  11.023  -7.422
  146    HA   LEU  19           HA       LEU  19 -11.507   9.119  -6.024
  147    HB2  LEU  19           HB2      LEU  19 -12.117  11.496  -6.343
  148    HB3  LEU  19           HB3      LEU  19 -12.229  11.245  -8.088
  149    HG   LEU  19           HG       LEU  19 -14.155   9.704  -7.744
  150   HD11  LEU  19          HD11      LEU  19 -15.272   9.647  -5.507
  151   HD12  LEU  19          HD12      LEU  19 -13.691   8.863  -5.470
  152   HD13  LEU  19          HD13      LEU  19 -13.883  10.498  -4.801
  153   HD21  LEU  19          HD21      LEU  19 -14.471  12.431  -6.415
  154   HD22  LEU  19          HD22      LEU  19 -14.503  12.113  -8.163
  155   HD23  LEU  19          HD23      LEU  19 -15.771  11.450  -7.118
  156    H    GLY  20           H        GLY  20 -12.523   7.259  -6.709
  157    HA2  GLY  20           HA2      GLY  20 -13.242   5.541  -8.144
  158    HA3  GLY  20           HA3      GLY  20 -12.675   6.466  -9.551
  159    H    TYR  21           H        TYR  21 -11.219   5.190 -10.533
  160    HA   TYR  21           HA       TYR  21  -9.363   3.427  -9.211
  161    HB2  TYR  21           HB2      TYR  21  -9.267   4.593 -12.008
  162    HB3  TYR  21           HB3      TYR  21  -8.291   3.259 -11.417
  163    HD1  TYR  21           HD2      TYR  21  -9.899   1.327 -10.197
  164    HD2  TYR  21           HD1      TYR  21 -10.910   3.892 -13.519
  165    HE1  TYR  21           HE2      TYR  21 -11.548  -0.349 -10.982
  166    HE2  TYR  21           HE1      TYR  21 -12.559   2.214 -14.311
  167    HH   TYR  21           HH       TYR  21 -13.143  -0.879 -12.577
  168    H    GLU  22           H        GLU  22  -7.138   3.599  -8.921
  169    HA   GLU  22           HA       GLU  22  -5.890   6.141  -8.437
  170    HB2  GLU  22           HB2      GLU  22  -4.690   3.370  -8.840
  171    HB3  GLU  22           HB3      GLU  22  -3.841   4.776  -8.221
  172    HG2  GLU  22           HG2      GLU  22  -4.373   3.452  -6.346
  173    HG3  GLU  22           HG3      GLU  22  -5.408   4.874  -6.288
  174    H    HIS  23           H        HIS  23  -3.792   6.767  -9.541
  175    HA   HIS  23           HA       HIS  23  -3.652   6.122 -12.436
  176    HB2  HIS  23           HB2      HIS  23  -5.103   8.192 -11.981
  177    HB3  HIS  23           HB3      HIS  23  -3.642   8.995 -11.418
  178    HD1  HIS  23           HD1      HIS  23  -2.248  10.132 -13.394
  179    HD2  HIS  23           HD2      HIS  23  -5.088   7.277 -14.613
  180    HE1  HIS  23           HE1      HIS  23  -2.316  10.218 -15.936
  181    H    TRP  24           H        TRP  24  -1.528   7.003 -13.411
  182    HA   TRP  24           HA       TRP  24   0.682   7.042 -11.410
  183    HB2  TRP  24           HB2      TRP  24   0.335   4.972 -13.607
  184    HB3  TRP  24           HB3      TRP  24   1.816   5.237 -12.711
  185    HD1  TRP  24           HD1      TRP  24   2.066   4.280 -10.341
  186    HE1  TRP  24           HE1      TRP  24   0.706   2.647  -8.880
  187    HE3  TRP  24           HE3      TRP  24  -2.273   4.181 -13.065
  188    HZ2  TRP  24           HZ2      TRP  24  -1.871   1.389  -8.963
  189    HZ3  TRP  24           HZ3      TRP  24  -4.177   2.787 -12.319
  190    HH2  TRP  24           HH2      TRP  24  -3.981   1.360 -10.297
  191    H    ALA  25           H        ALA  25   2.688   7.729 -12.141
  192    HA   ALA  25           HA       ALA  25   2.985   8.770 -14.908
  193    HB1  ALA  25           HB1      ALA  25   3.496  11.024 -14.128
  194    HB2  ALA  25           HB2      ALA  25   1.871  10.577 -13.592
  195    HB3  ALA  25           HB3      ALA  25   3.214  10.551 -12.434
  196    H    LEU  26           H        LEU  26   5.133   9.285 -15.505
  197    HA   LEU  26           HA       LEU  26   7.339   8.102 -13.869
  198    HB2  LEU  26           HB2      LEU  26   6.809   7.417 -16.305
  199    HB3  LEU  26           HB3      LEU  26   7.324   9.011 -16.806
  200    HG   LEU  26           HG       LEU  26   9.020   7.397 -17.241
  201   HD11  LEU  26          HD11      LEU  26  10.954   8.415 -16.310
  202   HD12  LEU  26          HD12      LEU  26   9.735   9.688 -16.475
  203   HD13  LEU  26          HD13      LEU  26  10.076   8.969 -14.879
  204   HD21  LEU  26          HD21      LEU  26  10.138   6.048 -15.564
  205   HD22  LEU  26          HD22      LEU  26   9.152   6.750 -14.270
  206   HD23  LEU  26          HD23      LEU  26   8.401   5.723 -15.513
  207    H    TYR  27           H        TYR  27   8.488   9.576 -12.653
  208    HA   TYR  27           HA       TYR  27   8.235  12.452 -13.233
  209    HB2  TYR  27           HB2      TYR  27   8.145  11.602 -10.931
  210    HB3  TYR  27           HB3      TYR  27   9.783  10.974 -11.075
  211    HD1  TYR  27           HD1      TYR  27   8.030  14.269 -11.790
  212    HD2  TYR  27           HD2      TYR  27  11.351  12.277  -9.923
  213    HE1  TYR  27           HE1      TYR  27   8.923  16.452 -11.069
  214    HE2  TYR  27           HE2      TYR  27  12.246  14.468  -9.174
  215    HH   TYR  27           HH       TYR  27  11.937  16.763  -9.141
  216    H    ILE  28           H        ILE  28   9.663  13.764 -14.260
  217    HA   ILE  28           HA       ILE  28  12.158  12.428 -15.286
  218    HB   ILE  28           HB       ILE  28  12.077  13.907 -17.190
  219   HG12  ILE  28          HG12      ILE  28   9.343  14.849 -16.253
  220   HG13  ILE  28          HG13      ILE  28  10.813  15.823 -16.091
  221   HG21  ILE  28          HG21      ILE  28  10.959  11.645 -17.125
  222   HG22  ILE  28          HG22      ILE  28   9.404  12.461 -16.848
  223   HG23  ILE  28          HG23      ILE  28  10.323  12.746 -18.336
  224   HD11  ILE  28          HD11      ILE  28   9.634  16.528 -18.068
  225   HD12  ILE  28          HD12      ILE  28  11.090  15.664 -18.602
  226   HD13  ILE  28          HD13      ILE  28   9.493  14.874 -18.667
  227    H    GLY  29           H        GLY  29  11.630  14.345 -12.771
  228    HA2  GLY  29           HA2      GLY  29  13.373  15.044 -11.390
  229    HA3  GLY  29           HA3      GLY  29  14.478  15.080 -12.771
  230    H    ASP  30           H        ASP  30  12.360  16.910 -14.130
  231    HA   ASP  30           HA       ASP  30  13.600  19.406 -13.175
  232    HB2  ASP  30           HB2      ASP  30  13.575  18.574 -15.569
  233    HB3  ASP  30           HB3      ASP  30  11.841  18.905 -15.601
  234    H    GLY  31           H        GLY  31  11.131  18.047 -11.817
  235    HA2  GLY  31           HA2      GLY  31   9.302  18.892 -10.592
  236    HA3  GLY  31           HA3      GLY  31   9.389  20.426 -11.496
  237    H    TYR  32           H        TYR  32   9.592  18.228 -13.846
  238    HA   TYR  32           HA       TYR  32   6.677  18.160 -14.416
  239    HB2  TYR  32           HB2      TYR  32   9.171  18.018 -16.124
  240    HB3  TYR  32           HB3      TYR  32   7.616  17.489 -16.741
  241    HD1  TYR  32           HD1      TYR  32   9.431  20.464 -15.376
  242    HD2  TYR  32           HD2      TYR  32   5.955  19.022 -17.472
  243    HE1  TYR  32           HE1      TYR  32   8.814  22.798 -15.950
  244    HE2  TYR  32           HE2      TYR  32   5.327  21.356 -18.053
  245    HH   TYR  32           HH       TYR  32   7.295  24.175 -17.013
  246    H    VAL  33           H        VAL  33   5.704  16.342 -15.312
  247    HA   VAL  33           HA       VAL  33   6.999  13.678 -14.858
  248    HB   VAL  33           HB       VAL  33   4.700  12.808 -14.382
  249   HG11  VAL  33          HG11      VAL  33   4.618  13.466 -12.008
  250   HG12  VAL  33          HG12      VAL  33   6.245  13.054 -12.542
  251   HG13  VAL  33          HG13      VAL  33   5.791  14.764 -12.336
  252   HG21  VAL  33          HG21      VAL  33   3.413  14.815 -15.234
  253   HG22  VAL  33          HG22      VAL  33   2.922  14.242 -13.625
  254   HG23  VAL  33          HG23      VAL  33   3.930  15.690 -13.781
  255    H    ILE  34           H        ILE  34   6.321  12.056 -16.290
  256    HA   ILE  34           HA       ILE  34   4.722  12.939 -18.682
  257    HB   ILE  34           HB       ILE  34   7.145  11.123 -18.475
  258   HG12  ILE  34          HG12      ILE  34   6.358  13.481 -20.248
  259   HG13  ILE  34          HG13      ILE  34   7.427  13.559 -18.853
  260   HG21  ILE  34          HG21      ILE  34   5.483   9.802 -19.737
  261   HG22  ILE  34          HG22      ILE  34   5.042  11.217 -20.712
  262   HG23  ILE  34          HG23      ILE  34   6.631  10.459 -20.886
  263   HD11  ILE  34          HD11      ILE  34   8.763  13.620 -20.846
  264   HD12  ILE  34          HD12      ILE  34   9.053  12.077 -20.030
  265   HD13  ILE  34          HD13      ILE  34   8.023  12.143 -21.472
  266    H    HIS  35           H        HIS  35   2.969  11.711 -19.236
  267    HA   HIS  35           HA       HIS  35   2.224   9.319 -17.680
  268    HB2  HIS  35           HB2      HIS  35   0.350  10.490 -16.560
  269    HB3  HIS  35           HB3      HIS  35   1.871  11.230 -16.102
  270    HD1  HIS  35           HD1      HIS  35  -1.376  12.076 -17.910
  271    HD2  HIS  35           HD2      HIS  35   2.467  13.676 -17.283
  272    HE1  HIS  35           HE1      HIS  35  -1.466  14.514 -18.652
  273    H    LEU  36           H        LEU  36  -0.266   8.894 -18.202
  274    HA   LEU  36           HA       LEU  36  -0.809   9.516 -21.084
  275    HB2  LEU  36           HB2      LEU  36  -1.684   7.363 -19.140
  276    HB3  LEU  36           HB3      LEU  36  -2.747   7.775 -20.466
  277    HG   LEU  36           HG       LEU  36   0.144   6.983 -20.939
  278   HD11  LEU  36          HD11      LEU  36  -1.013   5.153 -19.758
  279   HD12  LEU  36          HD12      LEU  36  -2.344   5.209 -20.929
  280   HD13  LEU  36          HD13      LEU  36  -0.710   4.715 -21.440
  281   HD21  LEU  36          HD21      LEU  36  -2.324   6.971 -22.742
  282   HD22  LEU  36          HD22      LEU  36  -0.998   8.142 -22.811
  283   HD23  LEU  36          HD23      LEU  36  -0.696   6.454 -23.209
  284    H    ALA  37           H        ALA  37  -2.753  10.444 -21.660
  285    HA   ALA  37           HA       ALA  37  -4.366  11.779 -19.519
  286    HB1  ALA  37           HB1      ALA  37  -5.247  13.111 -21.427
  287    HB2  ALA  37           HB2      ALA  37  -3.489  13.246 -21.233
  288    HB3  ALA  37           HB3      ALA  37  -4.159  12.236 -22.530
  289    HA   PRO  38           HA       PRO  38  -6.856   8.073 -20.140
  290    HB2  PRO  38           HB2      PRO  38  -8.832   9.696 -18.512
  291    HB3  PRO  38           HB3      PRO  38  -8.427   7.949 -18.382
  292    HG2  PRO  38           HG2      PRO  38  -7.305   9.708 -16.666
  293    HG3  PRO  38           HG3      PRO  38  -6.289   8.442 -17.431
  294    HD2  PRO  38           HD2      PRO  38  -6.553  11.359 -18.207
  295    HD3  PRO  38           HD3      PRO  38  -5.087  10.342 -18.069
  296    HA   PRO  39           HA       PRO  39  -9.499   9.264 -23.511
  297    HB2  PRO  39           HB2      PRO  39 -10.769   6.960 -24.114
  298    HB3  PRO  39           HB3      PRO  39  -8.992   7.116 -24.238
  299    HG2  PRO  39           HG2      PRO  39 -10.597   5.945 -21.946
  300    HG3  PRO  39           HG3      PRO  39  -9.171   5.236 -22.777
  301    HD2  PRO  39           HD2      PRO  39  -8.999   6.659 -20.424
  302    HD3  PRO  39           HD3      PRO  39  -7.692   6.643 -21.645
  303    H    SER  40           H        SER  40 -11.837   9.148 -24.299
  304    HA   SER  40           HA       SER  40 -13.945   8.876 -22.273
  305    HB2  SER  40           HB2      SER  40 -13.071  11.243 -22.052
  306    HB3  SER  40           HB3      SER  40 -13.606  11.525 -23.722
  307    HG   SER  40           HG       SER  40 -15.190  12.128 -22.082
  308    H    GLU  41           H        GLU  41 -16.150   9.331 -23.375
  309    HA   GLU  41           HA       GLU  41 -16.333   7.505 -25.587
  310    HB2  GLU  41           HB2      GLU  41 -18.058   7.765 -23.836
  311    HB3  GLU  41           HB3      GLU  41 -18.447   9.378 -24.452
  312    HG2  GLU  41           HG2      GLU  41 -19.142   8.400 -26.615
  313    HG3  GLU  41           HG3      GLU  41 -18.651   6.797 -26.065
  314    H    TYR  42           H        TYR  42 -16.195   7.857 -27.733
  315    HA   TYR  42           HA       TYR  42 -15.558  10.441 -28.744
  316    HB2  TYR  42           HB2      TYR  42 -15.536   9.351 -30.959
  317    HB3  TYR  42           HB3      TYR  42 -14.554   8.561 -29.746
  318    HD1  TYR  42           HD1      TYR  42 -17.632   8.281 -31.799
  319    HD2  TYR  42           HD2      TYR  42 -15.023   6.291 -28.993
  320    HE1  TYR  42           HE1      TYR  42 -18.745   6.111 -32.298
  321    HE2  TYR  42           HE2      TYR  42 -16.134   4.128 -29.487
  322    HH   TYR  42           HH       TYR  42 -17.781   3.045 -30.698
  323    HA   PRO  43           HA       PRO  43 -19.662  11.946 -29.670
  324    HB2  PRO  43           HB2      PRO  43 -19.078  14.253 -30.919
  325    HB3  PRO  43           HB3      PRO  43 -18.502  13.950 -29.264
  326    HG2  PRO  43           HG2      PRO  43 -16.970  13.468 -31.850
  327    HG3  PRO  43           HG3      PRO  43 -16.456  14.471 -30.453
  328    HD2  PRO  43           HD2      PRO  43 -15.709  11.862 -30.710
  329    HD3  PRO  43           HD3      PRO  43 -16.088  12.572 -29.107
  330    H    GLY  44           H        GLY  44 -20.677  13.172 -31.855
  331    HA2  GLY  44           HA2      GLY  44 -21.014  13.121 -34.165
  332    HA3  GLY  44           HA3      GLY  44 -20.039  11.642 -34.320
  333    H    ALA  45           H        ALA  45 -21.811  10.636 -31.905
  334    HA   ALA  45           HA       ALA  45 -23.893   9.352 -33.490
  335    HB1  ALA  45           HB1      ALA  45 -22.709   8.206 -31.647
  336    HB2  ALA  45           HB2      ALA  45 -23.359   9.383 -30.481
  337    HB3  ALA  45           HB3      ALA  45 -24.455   8.278 -31.342
  338    H    GLY  46           H        GLY  46 -23.781  12.131 -31.335
  339    HA2  GLY  46           HA2      GLY  46 -26.722  12.670 -31.663
  340    HA3  GLY  46           HA3      GLY  46 -25.693  13.278 -30.354
  341    H    SER  47           H        SER  47 -26.522  15.388 -30.915
  342    HA   SER  47           HA       SER  47 -25.894  16.683 -33.406
  343    HB2  SER  47           HB2      SER  47 -26.392  17.904 -30.663
  344    HB3  SER  47           HB3      SER  47 -26.495  18.731 -32.229
  345    HG   SER  47           HG       SER  47 -28.581  18.059 -31.456
  346    H    SER  48           H        SER  48 -23.972  16.202 -30.479
  347    HA   SER  48           HA       SER  48 -21.904  18.167 -31.169
  348    HB2  SER  48           HB2      SER  48 -21.925  15.898 -29.141
  349    HB3  SER  48           HB3      SER  48 -20.671  17.141 -29.289
  350    HG   SER  48           HG       SER  48 -22.279  17.653 -27.653
  351    H    SER  49           H        SER  49 -19.879  17.775 -32.042
  352    HA   SER  49           HA       SER  49 -19.260  15.040 -33.110
  353    HB2  SER  49           HB2      SER  49 -20.351  16.445 -34.834
  354    HB3  SER  49           HB3      SER  49 -19.052  17.637 -34.668
  355    HG   SER  49           HG       SER  49 -18.780  15.992 -36.401
  356    H    VAL  50           H        VAL  50 -16.913  15.499 -34.325
  357    HA   VAL  50           HA       VAL  50 -15.126  15.497 -32.058
  358    HB   VAL  50           HB       VAL  50 -13.263  15.246 -33.639
  359   HG11  VAL  50          HG11      VAL  50 -14.620  13.287 -32.955
  360   HG12  VAL  50          HG12      VAL  50 -15.648  13.499 -34.391
  361   HG13  VAL  50          HG13      VAL  50 -13.931  13.101 -34.575
  362   HG21  VAL  50          HG21      VAL  50 -14.006  16.723 -35.484
  363   HG22  VAL  50          HG22      VAL  50 -13.640  15.097 -36.072
  364   HG23  VAL  50          HG23      VAL  50 -15.326  15.598 -35.866
  365    H    PHE  51           H        PHE  51 -16.125  18.115 -34.131
  366    HA   PHE  51           HA       PHE  51 -14.036  19.965 -33.233
  367    HB2  PHE  51           HB2      PHE  51 -16.690  20.498 -34.629
  368    HB3  PHE  51           HB3      PHE  51 -15.342  21.618 -34.475
  369    HD1  PHE  51           HD1      PHE  51 -13.039  20.850 -35.495
  370    HD2  PHE  51           HD2      PHE  51 -16.844  19.105 -36.554
  371    HE1  PHE  51           HE1      PHE  51 -12.052  19.964 -37.592
  372    HE2  PHE  51           HE2      PHE  51 -15.848  18.219 -38.646
  373    HZ   PHE  51           HZ       PHE  51 -13.454  18.646 -39.174
  374    H    SER  52           H        SER  52 -17.184  18.901 -32.059
  375    HA   SER  52           HA       SER  52 -17.556  21.095 -30.152
  376    HB2  SER  52           HB2      SER  52 -18.821  18.355 -30.006
  377    HB3  SER  52           HB3      SER  52 -19.470  19.892 -29.435
  378    HG   SER  52           HG       SER  52 -19.758  20.503 -31.657
  379    H    VAL  53           H        VAL  53 -16.142  17.816 -30.132
  380    HA   VAL  53           HA       VAL  53 -14.632  18.550 -27.710
  381    HB   VAL  53           HB       VAL  53 -16.558  17.532 -26.698
  382   HG11  VAL  53          HG11      VAL  53 -17.296  16.039 -28.583
  383   HG12  VAL  53          HG12      VAL  53 -15.984  14.921 -28.150
  384   HG13  VAL  53          HG13      VAL  53 -17.275  15.268 -26.988
  385   HG21  VAL  53          HG21      VAL  53 -14.177  15.653 -26.532
  386   HG22  VAL  53          HG22      VAL  53 -14.337  17.197 -25.674
  387   HG23  VAL  53          HG23      VAL  53 -15.449  15.865 -25.316
  388    H    LEU  54           H        LEU  54 -12.636  18.351 -28.266
  389    HA   LEU  54           HA       LEU  54 -11.845  16.651 -30.508
  390    HB2  LEU  54           HB2      LEU  54 -10.390  18.699 -28.779
  391    HB3  LEU  54           HB3      LEU  54  -9.577  17.717 -29.989
  392    HG   LEU  54           HG       LEU  54 -11.105  18.606 -31.759
  393   HD11  LEU  54          HD11      LEU  54 -12.243  20.788 -31.323
  394   HD12  LEU  54          HD12      LEU  54 -13.006  19.456 -30.460
  395   HD13  LEU  54          HD13      LEU  54 -11.944  20.582 -29.585
  396   HD21  LEU  54          HD21      LEU  54  -9.429  20.639 -30.224
  397   HD22  LEU  54          HD22      LEU  54  -8.817  19.460 -31.404
  398   HD23  LEU  54          HD23      LEU  54  -9.899  20.754 -31.930
  399    H    SER  55           H        SER  55 -11.298  16.577 -26.989
  400    HA   SER  55           HA       SER  55  -9.285  14.458 -27.127
  401    HB2  SER  55           HB2      SER  55  -9.376  16.162 -25.318
  402    HB3  SER  55           HB3      SER  55 -10.882  15.424 -24.734
  403    HG   SER  55           HG       SER  55  -8.999  14.598 -23.638
  404    H    ASN  56           H        ASN  56  -9.814  12.430 -27.738
  405    HA   ASN  56           HA       ASN  56 -12.416  11.220 -26.856
  406    HB2  ASN  56           HB2      ASN  56 -11.148  10.949 -29.611
  407    HB3  ASN  56           HB3      ASN  56 -12.611  10.149 -29.033
  408   HD21  ASN  56          HD22      ASN  56 -13.230  13.057 -27.716
  409   HD22  ASN  56          HD21      ASN  56 -13.908  13.873 -29.121
  410    H    SER  57           H        SER  57  -9.605   9.938 -28.748
  411    HA   SER  57           HA       SER  57  -9.271   7.643 -26.988
  412    HB2  SER  57           HB2      SER  57  -7.228   7.327 -28.475
  413    HB3  SER  57           HB3      SER  57  -8.806   7.288 -29.273
  414    HG   SER  57           HG       SER  57  -7.347   8.600 -30.464
  415    H    ALA  58           H        ALA  58  -6.919   7.152 -26.197
  416    HA   ALA  58           HA       ALA  58  -6.231   9.316 -24.327
  417    HB1  ALA  58           HB1      ALA  58  -6.504   7.002 -23.520
  418    HB2  ALA  58           HB2      ALA  58  -5.228   6.449 -24.616
  419    HB3  ALA  58           HB3      ALA  58  -4.831   7.554 -23.283
  420    H    GLU  59           H        GLU  59  -4.041  10.076 -24.022
  421    HA   GLU  59           HA       GLU  59  -2.116   9.613 -26.224
  422    HB2  GLU  59           HB2      GLU  59  -3.565  11.710 -26.684
  423    HB3  GLU  59           HB3      GLU  59  -2.731  12.440 -25.297
  424    HG2  GLU  59           HG2      GLU  59  -0.539  12.014 -26.448
  425    HG3  GLU  59           HG3      GLU  59  -1.401  11.316 -27.813
  426    H    VAL  60           H        VAL  60   0.029   9.710 -25.582
  427    HA   VAL  60           HA       VAL  60   0.627   9.969 -22.706
  428    HB   VAL  60           HB       VAL  60   2.533   9.743 -25.037
  429   HG11  VAL  60          HG11      VAL  60   2.953   9.237 -22.053
  430   HG12  VAL  60          HG12      VAL  60   4.188   9.026 -23.321
  431   HG13  VAL  60          HG13      VAL  60   3.582  10.630 -22.929
  432   HG21  VAL  60          HG21      VAL  60   1.549   7.517 -23.206
  433   HG22  VAL  60          HG22      VAL  60   1.110   7.711 -24.918
  434   HG23  VAL  60          HG23      VAL  60   2.784   7.363 -24.471
  435    H    LYS  61           H        LYS  61   1.246  11.810 -21.719
  436    HA   LYS  61           HA       LYS  61   2.091  14.199 -23.304
  437    HB2  LYS  61           HB2      LYS  61  -0.251  13.997 -21.367
  438    HB3  LYS  61           HB3      LYS  61   0.475  15.533 -21.846
  439    HG2  LYS  61           HG2      LYS  61  -0.018  15.026 -24.240
  440    HG3  LYS  61           HG3      LYS  61  -0.854  13.539 -23.735
  441    HD2  LYS  61           HD2      LYS  61  -2.416  14.834 -22.389
  442    HD3  LYS  61           HD3      LYS  61  -1.610  16.346 -22.802
  443    HE2  LYS  61           HE2      LYS  61  -3.146  14.503 -24.699
  444    HE3  LYS  61           HE3      LYS  61  -3.714  16.024 -24.016
  445    HZ1  LYS  61           HZ1      LYS  61  -1.544  15.679 -26.014
  446    HZ2  LYS  61           HZ2      LYS  61  -2.943  16.494 -26.185
  447    HZ3  LYS  61           HZ3      LYS  61  -1.785  17.109 -25.212
  448    H    ARG  62           H        ARG  62   2.967  15.926 -22.043
  449    HA   ARG  62           HA       ARG  62   4.328  15.132 -19.491
  450    HB2  ARG  62           HB2      ARG  62   5.837  15.500 -21.422
  451    HB3  ARG  62           HB3      ARG  62   5.146  17.103 -21.669
  452    HG2  ARG  62           HG2      ARG  62   6.018  17.840 -19.476
  453    HG3  ARG  62           HG3      ARG  62   6.656  16.219 -19.172
  454    HD2  ARG  62           HD2      ARG  62   8.459  17.694 -19.913
  455    HD3  ARG  62           HD3      ARG  62   8.172  16.457 -21.125
  456    HE   ARG  62           HE       ARG  62   7.379  18.047 -22.628
  457   HH11  ARG  62          HH11      ARG  62   7.977  19.742 -19.550
  458   HH12  ARG  62          HH12      ARG  62   7.800  21.296 -20.300
  459   HH21  ARG  62          HH21      ARG  62   7.159  20.080 -23.487
  460   HH22  ARG  62          HH22      ARG  62   7.361  21.482 -22.484
  461    H    GLU  63           H        GLU  63   3.874  16.399 -17.681
  462    HA   GLU  63           HA       GLU  63   3.269  19.227 -17.956
  463    HB2  GLU  63           HB2      GLU  63   1.051  17.338 -17.536
  464    HB3  GLU  63           HB3      GLU  63   1.175  18.479 -16.214
  465    HG2  GLU  63           HG2      GLU  63   1.026  19.338 -19.123
  466    HG3  GLU  63           HG3      GLU  63  -0.359  19.142 -18.061
  467    H    ARG  64           H        ARG  64   2.844  20.142 -15.679
  468    HA   ARG  64           HA       ARG  64   5.119  19.576 -14.006
  469    HB2  ARG  64           HB2      ARG  64   2.612  21.225 -13.560
  470    HB3  ARG  64           HB3      ARG  64   4.011  21.255 -12.485
  471    HG2  ARG  64           HG2      ARG  64   5.369  22.384 -13.989
  472    HG3  ARG  64           HG3      ARG  64   4.482  21.849 -15.411
  473    HD2  ARG  64           HD2      ARG  64   3.344  23.799 -13.387
  474    HD3  ARG  64           HD3      ARG  64   4.164  24.271 -14.890
  475    HE   ARG  64           HE       ARG  64   2.292  22.526 -15.831
  476   HH11  ARG  64          HH11      ARG  64   1.824  25.389 -13.769
  477   HH12  ARG  64          HH12      ARG  64   0.200  25.604 -14.344
  478   HH21  ARG  64          HH21      ARG  64   0.333  22.862 -16.533
  479   HH22  ARG  64          HH22      ARG  64  -0.668  24.151 -15.891
  480    H    LEU  65           H        LEU  65   5.258  18.523 -12.018
  481    HA   LEU  65           HA       LEU  65   3.597  16.297 -11.407
  482    HB2  LEU  65           HB2      LEU  65   5.974  16.797 -10.700
  483    HB3  LEU  65           HB3      LEU  65   5.350  17.858  -9.449
  484    HG   LEU  65           HG       LEU  65   4.720  14.877  -9.708
  485   HD11  LEU  65          HD11      LEU  65   6.726  16.332  -7.931
  486   HD12  LEU  65          HD12      LEU  65   6.313  14.612  -7.817
  487   HD13  LEU  65          HD13      LEU  65   7.105  15.232  -9.276
  488   HD21  LEU  65          HD21      LEU  65   4.036  15.066  -7.309
  489   HD22  LEU  65          HD22      LEU  65   4.214  16.831  -7.415
  490   HD23  LEU  65          HD23      LEU  65   2.990  15.973  -8.386
  491    H    GLU  66           H        GLU  66   3.585  19.476  -9.710
  492    HA   GLU  66           HA       GLU  66   1.381  19.107  -8.046
  493    HB2  GLU  66           HB2      GLU  66   1.786  21.755  -9.472
  494    HB3  GLU  66           HB3      GLU  66   1.182  21.440  -7.845
  495    HG2  GLU  66           HG2      GLU  66   3.515  20.574  -7.291
  496    HG3  GLU  66           HG3      GLU  66   4.000  21.181  -8.894
  497    H    ASP  67           H        ASP  67   1.343  20.385 -11.395
  498    HA   ASP  67           HA       ASP  67  -1.430  20.805 -11.567
  499    HB2  ASP  67           HB2      ASP  67   0.224  21.738 -13.151
  500    HB3  ASP  67           HB3      ASP  67   0.502  20.124 -13.824
  501    H    VAL  68           H        VAL  68   0.479  17.920 -12.432
  502    HA   VAL  68           HA       VAL  68  -1.743  16.411 -13.413
  503    HB   VAL  68           HB       VAL  68   1.055  15.594 -12.608
  504   HG11  VAL  68          HG11      VAL  68   0.616  13.420 -13.778
  505   HG12  VAL  68          HG12      VAL  68  -0.278  13.575 -12.268
  506   HG13  VAL  68          HG13      VAL  68  -1.116  13.815 -13.818
  507   HG21  VAL  68          HG21      VAL  68   1.212  15.277 -15.119
  508   HG22  VAL  68          HG22      VAL  68  -0.433  15.899 -15.274
  509   HG23  VAL  68          HG23      VAL  68   0.863  16.941 -14.649
  510    H    VAL  69           H        VAL  69  -0.104  16.357 -10.140
  511    HA   VAL  69           HA       VAL  69  -1.839  14.259  -9.246
  512    HB   VAL  69           HB       VAL  69  -0.933  14.603  -7.079
  513   HG11  VAL  69          HG11      VAL  69   0.334  13.258  -8.622
  514   HG12  VAL  69          HG12      VAL  69   1.207  14.673  -9.226
  515   HG13  VAL  69          HG13      VAL  69   1.436  14.126  -7.554
  516   HG21  VAL  69          HG21      VAL  69   0.876  16.288  -6.638
  517   HG22  VAL  69          HG22      VAL  69   0.386  17.109  -8.116
  518   HG23  VAL  69          HG23      VAL  69  -0.754  16.963  -6.773
  519    H    GLY  70           H        GLY  70  -2.061  17.829  -9.077
  520    HA2  GLY  70           HA2      GLY  70  -3.822  19.205  -8.528
  521    HA3  GLY  70           HA3      GLY  70  -4.875  17.821  -8.836
  522    H    GLY  71           H        GLY  71  -6.305  17.909  -7.220
  523    HA2  GLY  71           HA2      GLY  71  -5.544  18.229  -4.390
  524    HA3  GLY  71           HA3      GLY  71  -7.174  18.021  -5.057
  525    H    CYS  72           H        CYS  72  -5.245  15.615  -6.374
  526    HA   CYS  72           HA       CYS  72  -6.416  13.513  -4.655
  527    HB2  CYS  72           HB2      CYS  72  -4.704  13.303  -7.159
  528    HB3  CYS  72           HB3      CYS  72  -5.575  11.999  -6.349
  529    HG   CYS  72           HG       CYS  72  -6.913  14.828  -7.554
  530    H    CYS  73           H        CYS  73  -5.162  12.006  -3.482
  531    HA   CYS  73           HA       CYS  73  -2.611  12.946  -2.402
  532    HB2  CYS  73           HB2      CYS  73  -4.165  10.343  -1.987
  533    HB3  CYS  73           HB3      CYS  73  -2.735  10.832  -1.063
  534    HG   CYS  73           HG       CYS  73  -4.920  11.218   0.390
  535    H    TYR  74           H        TYR  74  -0.573  11.735  -2.480
  536    HA   TYR  74           HA       TYR  74  -0.246   9.710  -4.544
  537    HB2  TYR  74           HB2      TYR  74   1.171  10.917  -6.042
  538    HB3  TYR  74           HB3      TYR  74  -0.314  11.817  -5.872
  539    HD1  TYR  74           HD2      TYR  74  -0.360  13.927  -4.463
  540    HD2  TYR  74           HD1      TYR  74   3.305  11.863  -5.425
  541    HE1  TYR  74           HE2      TYR  74   0.940  15.955  -3.857
  542    HE2  TYR  74           HE1      TYR  74   4.606  13.891  -4.831
  543    HH   TYR  74           HH       TYR  74   3.044  16.913  -3.688
  544    H    ARG  75           H        ARG  75   1.920   8.914  -4.843
  545    HA   ARG  75           HA       ARG  75   4.018   9.470  -2.875
  546    HB2  ARG  75           HB2      ARG  75   3.993   7.251  -1.830
  547    HB3  ARG  75           HB3      ARG  75   2.480   8.089  -1.535
  548    HG2  ARG  75           HG2      ARG  75   1.410   6.745  -3.395
  549    HG3  ARG  75           HG3      ARG  75   2.946   5.908  -3.626
  550    HD2  ARG  75           HD2      ARG  75   1.573   4.474  -2.347
  551    HD3  ARG  75           HD3      ARG  75   2.813   5.091  -1.250
  552    HE   ARG  75           HE       ARG  75   0.642   6.839  -0.970
  553   HH11  ARG  75          HH11      ARG  75   1.128   3.373  -0.404
  554   HH12  ARG  75          HH12      ARG  75  -0.131   3.301   0.788
  555   HH21  ARG  75          HH21      ARG  75  -0.969   6.668   0.585
  556   HH22  ARG  75          HH22      ARG  75  -1.284   5.142   1.346
  557    H    VAL  76           H        VAL  76   5.922   8.005  -3.212
  558    HA   VAL  76           HA       VAL  76   6.285   7.256  -6.068
  559    HB   VAL  76           HB       VAL  76   8.240   7.174  -3.738
  560   HG11  VAL  76          HG11      VAL  76   8.919   5.467  -5.355
  561   HG12  VAL  76          HG12      VAL  76   8.725   6.614  -6.695
  562   HG13  VAL  76          HG13      VAL  76   9.997   6.856  -5.478
  563   HG21  VAL  76          HG21      VAL  76   7.644   9.478  -4.450
  564   HG22  VAL  76          HG22      VAL  76   9.305   9.085  -4.881
  565   HG23  VAL  76          HG23      VAL  76   8.039   9.050  -6.128
  566    H    ASN  77           H        ASN  77   6.412   5.145  -6.787
  567    HA   ASN  77           HA       ASN  77   6.530   2.904  -4.866
  568    HB2  ASN  77           HB2      ASN  77   4.119   3.392  -5.043
  569    HB3  ASN  77           HB3      ASN  77   4.196   3.199  -6.795
  570   HD21  ASN  77          HD22      ASN  77   2.477   1.481  -6.359
  571   HD22  ASN  77          HD21      ASN  77   3.058  -0.113  -5.904
  572    H    ASN  78           H        ASN  78   8.661   2.934  -5.892
  573    HA   ASN  78           HA       ASN  78   8.947   1.975  -8.648
  574    HB2  ASN  78           HB2      ASN  78  10.909   2.305  -6.334
  575    HB3  ASN  78           HB3      ASN  78  11.370   1.708  -7.921
  576   HD21  ASN  78          HD22      ASN  78  12.698   3.869  -7.009
  577   HD22  ASN  78          HD21      ASN  78  12.228   5.277  -7.953
  578    H    SER  79           H        SER  79   7.326   0.149  -8.207
  579    HA   SER  79           HA       SER  79   7.877  -2.060  -6.540
  580    HB2  SER  79           HB2      SER  79   6.304  -3.251  -8.108
  581    HB3  SER  79           HB3      SER  79   5.701  -1.691  -7.509
  582    HG   SER  79           HG       SER  79   5.410  -1.934  -9.808
  583    H    LEU  80           H        LEU  80   9.039  -1.406  -9.825
  584    HA   LEU  80           HA       LEU  80  10.050  -4.020 -10.336
  585    HB2  LEU  80           HB2      LEU  80  10.989  -1.451 -11.645
  586    HB3  LEU  80           HB3      LEU  80  11.080  -3.096 -12.274
  587    HG   LEU  80           HG       LEU  80   8.545  -1.437 -11.902
  588   HD11  LEU  80          HD11      LEU  80   9.996  -2.457 -14.382
  589   HD12  LEU  80          HD12      LEU  80   8.472  -1.550 -14.371
  590   HD13  LEU  80          HD13      LEU  80   9.962  -0.781 -13.799
  591   HD21  LEU  80          HD21      LEU  80   7.978  -3.768 -11.443
  592   HD22  LEU  80          HD22      LEU  80   7.373  -3.315 -13.040
  593   HD23  LEU  80          HD23      LEU  80   8.841  -4.306 -12.904
  594    H    ASP  81           H        ASP  81  11.353  -1.691  -8.236
  595    HA   ASP  81           HA       ASP  81  14.165  -2.126  -8.327
  596    HB2  ASP  81           HB2      ASP  81  12.900  -0.520  -6.845
  597    HB3  ASP  81           HB3      ASP  81  12.309  -1.917  -5.919
  598    H    HIS  82           H        HIS  82  11.535  -4.101  -7.088
  599    HA   HIS  82           HA       HIS  82  13.173  -6.133  -5.778
  600    HB2  HIS  82           HB2      HIS  82  10.909  -5.397  -5.082
  601    HB3  HIS  82           HB3      HIS  82  10.242  -5.977  -6.610
  602    HD1  HIS  82           HD1      HIS  82   9.896  -8.623  -6.868
  603    HD2  HIS  82           HD2      HIS  82  11.547  -7.299  -3.222
  604    HE1  HIS  82           HE1      HIS  82   9.764 -10.602  -5.254
  605    H    GLU  83           H        GLU  83  12.434  -5.502  -9.064
  606    HA   GLU  83           HA       GLU  83  12.346  -8.362  -9.870
  607    HB2  GLU  83           HB2      GLU  83  11.505  -5.858 -11.391
  608    HB3  GLU  83           HB3      GLU  83  11.362  -7.528 -11.948
  609    HG2  GLU  83           HG2      GLU  83   9.895  -6.264  -9.600
  610    HG3  GLU  83           HG3      GLU  83   9.213  -6.726 -11.149
  611    H    TYR  84           H        TYR  84  13.846  -5.261 -10.821
  612    HA   TYR  84           HA       TYR  84  16.059  -6.769 -12.178
  613    HB2  TYR  84           HB2      TYR  84  15.005  -4.113 -13.159
  614    HB3  TYR  84           HB3      TYR  84  15.986  -5.289 -14.018
  615    HD1  TYR  84           HD1      TYR  84  14.808  -7.680 -14.385
  616    HD2  TYR  84           HD2      TYR  84  12.725  -3.999 -13.564
  617    HE1  TYR  84           HE1      TYR  84  12.687  -8.693 -15.208
  618    HE2  TYR  84           HE2      TYR  84  10.602  -5.010 -14.357
  619    HH   TYR  84           HH       TYR  84   9.573  -6.903 -15.206
  620    H    GLN  85           H        GLN  85  18.113  -5.706 -12.396
  621    HA   GLN  85           HA       GLN  85  18.874  -3.945 -10.224
  622    HB2  GLN  85           HB2      GLN  85  20.347  -5.016 -12.662
  623    HB3  GLN  85           HB3      GLN  85  21.099  -3.892 -11.535
  624    HG2  GLN  85           HG2      GLN  85  19.945  -6.606 -10.772
  625    HG3  GLN  85           HG3      GLN  85  21.657  -6.267 -11.043
  626   HE21  GLN  85          HE22      GLN  85  20.150  -7.201  -8.540
  627   HE22  GLN  85          HE21      GLN  85  20.642  -6.030  -7.326
  628    HA   PRO  86           HA       PRO  86  17.855  -0.070 -11.710
  629    HB2  PRO  86           HB2      PRO  86  20.717   0.899 -11.515
  630    HB3  PRO  86           HB3      PRO  86  19.215   1.668 -10.906
  631    HG2  PRO  86           HG2      PRO  86  20.801   0.270  -9.222
  632    HG3  PRO  86           HG3      PRO  86  19.019   0.052  -9.151
  633    HD2  PRO  86           HD2      PRO  86  21.082  -1.718 -10.474
  634    HD3  PRO  86           HD3      PRO  86  19.683  -2.159  -9.454
  635    H    ARG  87           H        ARG  87  17.259   0.695 -13.642
  636    HA   ARG  87           HA       ARG  87  18.747   0.292 -16.104
  637    HB2  ARG  87           HB2      ARG  87  16.143   1.574 -15.241
  638    HB3  ARG  87           HB3      ARG  87  16.824   2.038 -16.792
  639    HG2  ARG  87           HG2      ARG  87  15.287   0.394 -17.209
  640    HG3  ARG  87           HG3      ARG  87  16.868  -0.327 -17.499
  641    HD2  ARG  87           HD2      ARG  87  15.306  -0.788 -14.928
  642    HD3  ARG  87           HD3      ARG  87  15.004  -1.744 -16.369
  643    HE   ARG  87           HE       ARG  87  17.233  -2.003 -14.549
  644   HH11  ARG  87          HH21      ARG  87  16.347  -2.693 -17.927
  645   HH12  ARG  87          HH22      ARG  87  17.579  -3.908 -18.060
  646   HH21  ARG  87          HH11      ARG  87  18.737  -3.498 -14.804
  647   HH22  ARG  87          HH12      ARG  87  18.944  -4.366 -16.313
  648    HA   PRO  88           HA       PRO  88  20.948   4.230 -16.107
  649    HB2  PRO  88           HB2      PRO  88  21.276   4.772 -18.746
  650    HB3  PRO  88           HB3      PRO  88  22.085   3.407 -17.918
  651    HG2  PRO  88           HG2      PRO  88  19.579   3.328 -19.609
  652    HG3  PRO  88           HG3      PRO  88  20.982   2.224 -19.658
  653    HD2  PRO  88           HD2      PRO  88  18.617   1.730 -18.333
  654    HD3  PRO  88           HD3      PRO  88  20.190   1.046 -17.810
  655    H    VAL  89           H        VAL  89  19.804   5.854 -15.243
  656    HA   VAL  89           HA       VAL  89  17.204   6.516 -15.716
  657    HB   VAL  89           HB       VAL  89  18.466   7.165 -13.746
  658   HG11  VAL  89          HG11      VAL  89  19.843   9.163 -13.605
  659   HG12  VAL  89          HG12      VAL  89  20.538   8.064 -14.806
  660   HG13  VAL  89          HG13      VAL  89  19.629   9.497 -15.330
  661   HG21  VAL  89          HG21      VAL  89  17.334   9.235 -13.272
  662   HG22  VAL  89          HG22      VAL  89  17.156   9.614 -14.993
  663   HG23  VAL  89          HG23      VAL  89  16.274   8.236 -14.295
  664    H    GLU  90           H        GLU  90  19.895   8.130 -17.445
  665    HA   GLU  90           HA       GLU  90  18.327  10.118 -18.699
  666    HB2  GLU  90           HB2      GLU  90  20.100  10.311 -20.326
  667    HB3  GLU  90           HB3      GLU  90  20.758  10.127 -18.701
  668    HG2  GLU  90           HG2      GLU  90  21.212   7.696 -19.222
  669    HG3  GLU  90           HG3      GLU  90  20.675   8.001 -20.879
  670    H    VAL  91           H        VAL  91  18.762   6.717 -19.559
  671    HA   VAL  91           HA       VAL  91  17.351   6.953 -22.070
  672    HB   VAL  91           HB       VAL  91  17.814   4.353 -20.595
  673   HG11  VAL  91          HG11      VAL  91  17.436   5.055 -23.535
  674   HG12  VAL  91          HG12      VAL  91  17.885   3.448 -22.927
  675   HG13  VAL  91          HG13      VAL  91  16.312   4.138 -22.502
  676   HG21  VAL  91          HG21      VAL  91  19.905   4.122 -21.920
  677   HG22  VAL  91          HG22      VAL  91  19.724   5.804 -22.487
  678   HG23  VAL  91          HG23      VAL  91  20.008   5.441 -20.764
  679    H    ILE  92           H        ILE  92  16.387   6.161 -18.715
  680    HA   ILE  92           HA       ILE  92  13.680   5.337 -19.363
  681    HB   ILE  92           HB       ILE  92  14.590   6.750 -16.809
  682   HG12  ILE  92          HG12      ILE  92  14.640   3.741 -17.341
  683   HG13  ILE  92          HG13      ILE  92  16.062   4.783 -17.291
  684   HG21  ILE  92          HG21      ILE  92  12.110   6.521 -17.151
  685   HG22  ILE  92          HG22      ILE  92  12.310   4.772 -17.369
  686   HG23  ILE  92          HG23      ILE  92  12.660   5.535 -15.806
  687   HD11  ILE  92          HD11      ILE  92  15.363   5.489 -14.945
  688   HD12  ILE  92          HD12      ILE  92  14.223   4.125 -14.987
  689   HD13  ILE  92          HD13      ILE  92  15.970   3.849 -15.143
  690    H    ILE  93           H        ILE  93  14.996   8.581 -18.411
  691    HA   ILE  93           HA       ILE  93  12.627  10.078 -18.912
  692    HB   ILE  93           HB       ILE  93  15.594  10.631 -18.948
  693   HG12  ILE  93          HG12      ILE  93  15.665  11.008 -16.892
  694   HG13  ILE  93          HG13      ILE  93  14.340  12.181 -16.915
  695   HG21  ILE  93          HG21      ILE  93  14.678  12.347 -20.432
  696   HG22  ILE  93          HG22      ILE  93  13.420  12.742 -19.233
  697   HG23  ILE  93          HG23      ILE  93  15.135  13.091 -18.909
  698   HD11  ILE  93          HD11      ILE  93  14.264   9.225 -16.423
  699   HD12  ILE  93          HD12      ILE  93  13.851  10.542 -15.294
  700   HD13  ILE  93          HD13      ILE  93  12.781  10.190 -16.667
  701    H    SER  94           H        SER  94  15.239   9.091 -21.167
  702    HA   SER  94           HA       SER  94  14.178  10.547 -23.389
  703    HB2  SER  94           HB2      SER  94  15.941   8.071 -23.406
  704    HB3  SER  94           HB3      SER  94  15.634   9.138 -24.782
  705    HG   SER  94           HG       SER  94  17.011   9.735 -22.355
  706    H    SER  95           H        SER  95  13.599   7.244 -22.247
  707    HA   SER  95           HA       SER  95  11.957   6.330 -24.420
  708    HB2  SER  95           HB2      SER  95  12.169   5.540 -21.496
  709    HB3  SER  95           HB3      SER  95  11.144   4.686 -22.676
  710    HG   SER  95           HG       SER  95  13.976   5.080 -22.897
  711    H    ALA  96           H        ALA  96  11.167   7.935 -21.271
  712    HA   ALA  96           HA       ALA  96   8.352   8.088 -21.661
  713    HB1  ALA  96           HB1      ALA  96   9.688   8.423 -19.536
  714    HB2  ALA  96           HB2      ALA  96  10.243   9.985 -20.167
  715    HB3  ALA  96           HB3      ALA  96   8.519   9.712 -19.832
  716    H    LYS  97           H        LYS  97  10.951  10.474 -22.521
  717    HA   LYS  97           HA       LYS  97   9.201  12.367 -23.731
  718    HB2  LYS  97           HB2      LYS  97  12.152  11.731 -24.050
  719    HB3  LYS  97           HB3      LYS  97  11.379  13.066 -24.910
  720    HG2  LYS  97           HG2      LYS  97  10.757  14.180 -22.868
  721    HG3  LYS  97           HG3      LYS  97  11.286  12.814 -21.869
  722    HD2  LYS  97           HD2      LYS  97  13.588  13.105 -22.555
  723    HD3  LYS  97           HD3      LYS  97  13.136  14.359 -23.732
  724    HE2  LYS  97           HE2      LYS  97  12.257  15.770 -21.836
  725    HE3  LYS  97           HE3      LYS  97  12.863  14.568 -20.693
  726    HZ1  LYS  97           HZ1      LYS  97  14.458  16.383 -20.994
  727    HZ2  LYS  97           HZ2      LYS  97  15.131  15.012 -21.585
  728    HZ3  LYS  97           HZ3      LYS  97  14.528  16.140 -22.606
  729    H    GLU  98           H        GLU  98  10.886   9.589 -25.204
  730    HA   GLU  98           HA       GLU  98   9.978  10.080 -27.863
  731    HB2  GLU  98           HB2      GLU  98  10.905   7.572 -26.440
  732    HB3  GLU  98           HB3      GLU  98  10.368   7.531 -28.116
  733    HG2  GLU  98           HG2      GLU  98  12.626   9.315 -27.120
  734    HG3  GLU  98           HG3      GLU  98  12.844   7.730 -27.852
  735    H    MET  99           H        MET  99   8.441   8.320 -25.172
  736    HA   MET  99           HA       MET  99   6.197   7.481 -26.747
  737    HB2  MET  99           HB2      MET  99   6.667   7.579 -23.760
  738    HB3  MET  99           HB3      MET  99   5.181   6.965 -24.492
  739    HG2  MET  99           HG2      MET  99   7.963   5.940 -25.211
  740    HG3  MET  99           HG3      MET  99   6.962   5.205 -23.985
  741    HE1  MET  99           HE1      MET  99   4.069   4.838 -24.993
  742    HE2  MET  99           HE2      MET  99   4.298   3.248 -25.748
  743    HE3  MET  99           HE3      MET  99   5.178   3.647 -24.250
  744    H    VAL 100           H        VAL 100   6.653  10.339 -24.631
  745    HA   VAL 100           HA       VAL 100   4.111  11.493 -24.824
  746    HB   VAL 100           HB       VAL 100   6.782  12.913 -24.991
  747   HG11  VAL 100          HG11      VAL 100   4.013  14.163 -24.648
  748   HG12  VAL 100          HG12      VAL 100   5.552  14.992 -24.348
  749   HG13  VAL 100          HG13      VAL 100   5.147  14.469 -25.982
  750   HG21  VAL 100          HG21      VAL 100   6.337  13.470 -22.671
  751   HG22  VAL 100          HG22      VAL 100   4.728  12.722 -22.750
  752   HG23  VAL 100          HG23      VAL 100   6.179  11.716 -22.867
  753    H    GLY 101           H        GLY 101   2.801  12.261 -26.242
  754    HA2  GLY 101           HA2      GLY 101   2.084  13.311 -28.227
  755    HA3  GLY 101           HA3      GLY 101   3.615  12.887 -29.037
  756    H    GLN 102           H        GLN 102   3.083   9.986 -27.760
  757    HA   GLN 102           HA       GLN 102   1.658   9.014 -30.080
  758    HB2  GLN 102           HB2      GLN 102   2.918   7.504 -27.758
  759    HB3  GLN 102           HB3      GLN 102   2.246   6.786 -29.216
  760    HG2  GLN 102           HG2      GLN 102   3.904   8.094 -30.602
  761    HG3  GLN 102           HG3      GLN 102   4.643   8.668 -29.111
  762   HE21  GLN 102          HE22      GLN 102   6.655   7.596 -29.001
  763   HE22  GLN 102          HE21      GLN 102   6.801   5.856 -29.218
  764    H    LYS 103           H        LYS 103  -0.173   7.708 -30.041
  765    HA   LYS 103           HA       LYS 103  -2.099   8.345 -27.860
  766    HB2  LYS 103           HB2      LYS 103  -2.491   7.729 -30.811
  767    HB3  LYS 103           HB3      LYS 103  -3.818   7.893 -29.651
  768    HG2  LYS 103           HG2      LYS 103  -3.129  10.196 -29.119
  769    HG3  LYS 103           HG3      LYS 103  -1.777  10.078 -30.266
  770    HD2  LYS 103           HD2      LYS 103  -3.377   9.713 -32.120
  771    HD3  LYS 103           HD3      LYS 103  -4.734   9.835 -30.976
  772    HE2  LYS 103           HE2      LYS 103  -4.027  12.139 -30.372
  773    HE3  LYS 103           HE3      LYS 103  -2.662  12.029 -31.487
  774    HZ1  LYS 103           HZ1      LYS 103  -5.530  11.913 -32.287
  775    HZ2  LYS 103           HZ2      LYS 103  -4.529  13.185 -32.505
  776    HZ3  LYS 103           HZ3      LYS 103  -4.261  11.794 -33.317
  777    H    MET 104           H        MET 104  -3.751   6.849 -27.305
  778    HA   MET 104           HA       MET 104  -3.253   3.956 -27.750
  779    HB2  MET 104           HB2      MET 104  -3.307   5.231 -24.976
  780    HB3  MET 104           HB3      MET 104  -3.402   3.499 -25.297
  781    HG2  MET 104           HG2      MET 104  -1.186   3.707 -26.533
  782    HG3  MET 104           HG3      MET 104  -1.066   5.346 -25.879
  783    HE1  MET 104           HE1      MET 104   1.595   3.459 -23.807
  784    HE2  MET 104           HE2      MET 104   1.201   3.350 -25.536
  785    HE3  MET 104           HE3      MET 104   1.223   4.934 -24.722
  786    H    LYS 105           H        LYS 105  -4.981   2.622 -26.696
  787    HA   LYS 105           HA       LYS 105  -7.396   3.336 -28.028
  788    HB2  LYS 105           HB2      LYS 105  -6.697   1.017 -26.164
  789    HB3  LYS 105           HB3      LYS 105  -8.162   1.097 -27.145
  790    HG2  LYS 105           HG2      LYS 105  -6.788   1.234 -29.218
  791    HG3  LYS 105           HG3      LYS 105  -5.318   1.066 -28.242
  792    HD2  LYS 105           HD2      LYS 105  -6.110  -1.131 -27.401
  793    HD3  LYS 105           HD3      LYS 105  -7.586  -0.972 -28.390
  794    HE2  LYS 105           HE2      LYS 105  -6.192  -0.840 -30.447
  795    HE3  LYS 105           HE3      LYS 105  -4.722  -0.993 -29.472
  796    HZ1  LYS 105           HZ1      LYS 105  -5.496  -3.207 -28.784
  797    HZ2  LYS 105           HZ2      LYS 105  -6.851  -3.062 -29.696
  798    HZ3  LYS 105           HZ3      LYS 105  -5.387  -3.132 -30.412
  799    H    TYR 106           H        TYR 106  -9.570   2.674 -26.972
  800    HA   TYR 106           HA       TYR 106 -10.247   4.863 -25.173
  801    HB2  TYR 106           HB2      TYR 106 -11.823   2.807 -26.751
  802    HB3  TYR 106           HB3      TYR 106 -12.600   3.954 -25.680
  803    HD1  TYR 106           HD1      TYR 106 -12.693   6.330 -26.125
  804    HD2  TYR 106           HD2      TYR 106 -10.779   3.624 -28.889
  805    HE1  TYR 106           HE1      TYR 106 -12.755   8.078 -27.876
  806    HE2  TYR 106           HE2      TYR 106 -10.811   5.387 -30.638
  807    HH   TYR 106           HH       TYR 106 -11.421   7.560 -31.172
  808    H    SER 107           H        SER 107  -9.210   1.801 -24.325
  809    HA   SER 107           HA       SER 107 -11.028   0.782 -22.488
  810    HB2  SER 107           HB2      SER 107  -8.004   0.770 -22.204
  811    HB3  SER 107           HB3      SER 107  -9.149  -0.383 -21.498
  812    HG   SER 107           HG       SER 107  -8.247  -1.226 -23.440
  813    H    ILE 108           H        ILE 108 -11.949   1.609 -20.664
  814    HA   ILE 108           HA       ILE 108 -10.884   4.061 -19.526
  815    HB   ILE 108           HB       ILE 108 -12.911   4.323 -18.401
  816   HG12  ILE 108          HG12      ILE 108 -13.337   2.191 -17.365
  817   HG13  ILE 108          HG13      ILE 108 -14.742   2.774 -18.229
  818   HG21  ILE 108          HG21      ILE 108 -12.932   4.751 -20.800
  819   HG22  ILE 108          HG22      ILE 108 -13.579   3.130 -21.112
  820   HG23  ILE 108          HG23      ILE 108 -14.533   4.298 -20.183
  821   HD11  ILE 108          HD11      ILE 108 -14.556   0.387 -18.500
  822   HD12  ILE 108          HD12      ILE 108 -14.285   1.152 -20.071
  823   HD13  ILE 108          HD13      ILE 108 -12.911   0.509 -19.123
  824    H    VAL 109           H        VAL 109 -10.198   0.918 -18.573
  825    HA   VAL 109           HA       VAL 109 -10.201   1.424 -15.660
  826    HB   VAL 109           HB       VAL 109  -9.084  -0.954 -17.192
  827   HG11  VAL 109          HG11      VAL 109  -9.503  -0.516 -14.197
  828   HG12  VAL 109          HG12      VAL 109  -9.088  -2.068 -14.951
  829   HG13  VAL 109          HG13      VAL 109  -7.944  -0.724 -15.021
  830   HG21  VAL 109          HG21      VAL 109 -11.085  -2.129 -16.296
  831   HG22  VAL 109          HG22      VAL 109 -11.685  -0.591 -15.638
  832   HG23  VAL 109          HG23      VAL 109 -11.532  -0.822 -17.392
  833    H    SER 110           H        SER 110  -8.811   2.895 -14.996
  834    HA   SER 110           HA       SER 110  -6.583   3.833 -16.269
  835    HB2  SER 110           HB2      SER 110  -7.112   3.974 -13.290
  836    HB3  SER 110           HB3      SER 110  -6.146   5.108 -14.259
  837    HG   SER 110           HG       SER 110  -8.261   5.952 -13.996
  838    H    ARG 111           H        ARG 111  -6.427   0.831 -14.534
  839    HA   ARG 111           HA       ARG 111  -3.674   0.972 -13.756
  840    HB2  ARG 111           HB2      ARG 111  -5.362  -0.807 -13.079
  841    HB3  ARG 111           HB3      ARG 111  -5.035  -1.589 -14.644
  842    HG2  ARG 111           HG2      ARG 111  -2.612  -1.681 -14.051
  843    HG3  ARG 111           HG3      ARG 111  -2.937  -0.824 -12.546
  844    HD2  ARG 111           HD2      ARG 111  -4.267  -2.731 -11.736
  845    HD3  ARG 111           HD3      ARG 111  -3.969  -3.594 -13.266
  846    HE   ARG 111           HE       ARG 111  -1.463  -2.756 -12.266
  847   HH11  ARG 111          HH11      ARG 111  -3.866  -5.167 -11.225
  848   HH12  ARG 111          HH12      ARG 111  -2.633  -6.116 -10.449
  849   HH21  ARG 111          HH21      ARG 111  -0.081  -3.862 -11.342
  850   HH22  ARG 111          HH22      ARG 111  -0.416  -5.387 -10.503
  851    H    ASN 112           H        ASN 112  -5.060   0.857 -16.950
  852    HA   ASN 112           HA       ASN 112  -2.798  -0.097 -18.399
  853    HB2  ASN 112           HB2      ASN 112  -3.689   1.099 -20.291
  854    HB3  ASN 112           HB3      ASN 112  -4.975   0.261 -19.441
  855   HD21  ASN 112          HD22      ASN 112  -5.642   2.227 -21.259
  856   HD22  ASN 112          HD21      ASN 112  -6.286   3.597 -20.374
  857    H    CYS 113           H        CYS 113  -3.315   3.081 -16.793
  858    HA   CYS 113           HA       CYS 113  -0.908   4.278 -17.814
  859    HB2  CYS 113           HB2      CYS 113  -2.505   4.860 -15.281
  860    HB3  CYS 113           HB3      CYS 113  -1.258   5.908 -15.998
  861    HG   CYS 113           HG       CYS 113  -3.541   6.952 -16.638
  862    H    GLU 114           H        GLU 114  -1.468   2.209 -14.932
  863    HA   GLU 114           HA       GLU 114   1.204   2.318 -13.885
  864    HB2  GLU 114           HB2      GLU 114  -0.803   1.214 -12.742
  865    HB3  GLU 114           HB3      GLU 114  -0.630  -0.115 -13.874
  866    HG2  GLU 114           HG2      GLU 114   1.801  -0.320 -13.072
  867    HG3  GLU 114           HG3      GLU 114   1.365   0.796 -11.781
  868    H    HIS 115           H        HIS 115  -0.349  -0.091 -16.080
  869    HA   HIS 115           HA       HIS 115   1.981  -1.507 -16.780
  870    HB2  HIS 115           HB2      HIS 115  -0.478  -0.985 -18.510
  871    HB3  HIS 115           HB3      HIS 115   0.667  -2.302 -18.709
  872    HD1  HIS 115           HD1      HIS 115  -2.352  -2.989 -18.326
  873    HD2  HIS 115           HD2      HIS 115   0.536  -2.816 -15.272
  874    HE1  HIS 115           HE1      HIS 115  -3.213  -4.460 -16.438
  875    H    PHE 116           H        PHE 116   0.797   1.537 -18.213
  876    HA   PHE 116           HA       PHE 116   2.752   1.654 -20.309
  877    HB2  PHE 116           HB2      PHE 116   0.852   3.029 -20.535
  878    HB3  PHE 116           HB3      PHE 116   0.983   3.661 -18.910
  879    HD1  PHE 116           HD2      PHE 116   3.103   3.518 -22.019
  880    HD2  PHE 116           HD1      PHE 116   1.740   5.854 -18.660
  881    HE1  PHE 116           HE2      PHE 116   4.453   5.446 -22.801
  882    HE2  PHE 116           HE1      PHE 116   3.123   7.771 -19.446
  883    HZ   PHE 116           HZ       PHE 116   4.488   7.552 -21.503
  884    H    VAL 117           H        VAL 117   2.726   3.176 -16.988
  885    HA   VAL 117           HA       VAL 117   5.350   4.270 -17.526
  886    HB   VAL 117           HB       VAL 117   5.490   5.053 -15.281
  887   HG11  VAL 117          HG11      VAL 117   3.603   6.575 -15.325
  888   HG12  VAL 117          HG12      VAL 117   4.268   6.347 -16.945
  889   HG13  VAL 117          HG13      VAL 117   2.751   5.545 -16.487
  890   HG21  VAL 117          HG21      VAL 117   3.828   4.742 -13.593
  891   HG22  VAL 117          HG22      VAL 117   2.827   3.739 -14.658
  892   HG23  VAL 117          HG23      VAL 117   4.389   3.140 -14.073
  893    H    THR 118           H        THR 118   4.441   1.150 -16.056
  894    HA   THR 118           HA       THR 118   7.112   0.524 -15.078
  895    HB   THR 118           HB       THR 118   6.337  -1.850 -15.312
  896    HG1  THR 118           HG1      THR 118   4.253  -2.207 -16.013
  897   HG21  THR 118          HG21      THR 118   4.364   0.009 -13.905
  898   HG22  THR 118          HG22      THR 118   4.570  -1.727 -13.595
  899   HG23  THR 118          HG23      THR 118   5.883  -0.605 -13.219
  900    H    GLN 119           H        GLN 119   5.463  -0.055 -18.211
  901    HA   GLN 119           HA       GLN 119   7.715  -1.276 -19.439
  902    HB2  GLN 119           HB2      GLN 119   5.235   0.056 -20.557
  903    HB3  GLN 119           HB3      GLN 119   6.493  -0.607 -21.600
  904    HG2  GLN 119           HG2      GLN 119   6.266  -2.831 -20.566
  905    HG3  GLN 119           HG3      GLN 119   5.029  -2.220 -19.465
  906   HE21  GLN 119          HE22      GLN 119   3.010  -1.342 -20.493
  907   HE22  GLN 119          HE21      GLN 119   2.465  -2.072 -22.015
  908    H    LEU 120           H        LEU 120   7.040   2.192 -18.991
  909    HA   LEU 120           HA       LEU 120   9.055   3.140 -20.825
  910    HB2  LEU 120           HB2      LEU 120   8.162   4.284 -18.135
  911    HB3  LEU 120           HB3      LEU 120   9.209   5.110 -19.271
  912    HG   LEU 120           HG       LEU 120   6.294   4.380 -19.771
  913   HD11  LEU 120          HD11      LEU 120   7.732   7.019 -19.284
  914   HD12  LEU 120          HD12      LEU 120   6.021   6.851 -19.679
  915   HD13  LEU 120          HD13      LEU 120   6.628   6.178 -18.167
  916   HD21  LEU 120          HD21      LEU 120   6.648   5.880 -21.807
  917   HD22  LEU 120          HD22      LEU 120   8.391   5.678 -21.557
  918   HD23  LEU 120          HD23      LEU 120   7.357   4.269 -21.913
  919    H    ARG 121           H        ARG 121   9.362   1.653 -17.663
  920    HA   ARG 121           HA       ARG 121  12.270   2.262 -17.511
  921    HB2  ARG 121           HB2      ARG 121  10.765   2.686 -15.609
  922    HB3  ARG 121           HB3      ARG 121  10.379   0.972 -15.493
  923    HG2  ARG 121           HG2      ARG 121  12.617   0.426 -14.800
  924    HG3  ARG 121           HG3      ARG 121  13.247   2.004 -15.289
  925    HD2  ARG 121           HD2      ARG 121  11.935   3.125 -13.546
  926    HD3  ARG 121           HD3      ARG 121  11.176   1.598 -13.075
  927    HE   ARG 121           HE       ARG 121  13.577   0.817 -12.579
  928   HH11  ARG 121          HH11      ARG 121  12.571   4.198 -11.980
  929   HH12  ARG 121          HH12      ARG 121  13.642   4.330 -10.618
  930   HH21  ARG 121          HH21      ARG 121  14.903   1.114 -10.796
  931   HH22  ARG 121          HH22      ARG 121  14.955   2.648  -9.991
  932    H    TYR 122           H        TYR 122  10.173  -0.712 -17.297
  933    HA   TYR 122           HA       TYR 122  12.391  -2.524 -17.586
  934    HB2  TYR 122           HB2      TYR 122  10.321  -3.230 -16.577
  935    HB3  TYR 122           HB3      TYR 122   9.395  -2.814 -18.010
  936    HD1  TYR 122           HD2      TYR 122  12.387  -4.960 -17.137
  937    HD2  TYR 122           HD1      TYR 122   8.695  -4.601 -19.339
  938    HE1  TYR 122           HE2      TYR 122  12.691  -7.260 -18.009
  939    HE2  TYR 122           HE1      TYR 122   8.991  -6.912 -20.208
  940    HH   TYR 122           HH       TYR 122  11.821  -8.945 -19.336
  941    H    GLY 123           H        GLY 123  10.227  -1.072 -20.012
  942    HA2  GLY 123           HA2      GLY 123  11.513  -2.519 -22.272
  943    HA3  GLY 123           HA3      GLY 123   9.973  -1.623 -22.293
  944    H    LYS 124           H        LYS 124  12.730  -0.120 -20.747
  945    HA   LYS 124           HA       LYS 124  12.748   2.195 -22.336
  946    HB2  LYS 124           HB2      LYS 124  14.767   2.773 -21.173
  947    HB3  LYS 124           HB3      LYS 124  13.721   1.926 -20.062
  948    HG2  LYS 124           HG2      LYS 124  15.619   0.780 -19.549
  949    HG3  LYS 124           HG3      LYS 124  15.147  -0.220 -20.917
  950    HD2  LYS 124           HD2      LYS 124  16.608   1.620 -22.265
  951    HD3  LYS 124           HD3      LYS 124  17.293   1.891 -20.671
  952    HE2  LYS 124           HE2      LYS 124  18.756   0.325 -21.580
  953    HE3  LYS 124           HE3      LYS 124  17.688  -0.708 -20.628
  954    HZ1  LYS 124           HZ1      LYS 124  18.082  -1.535 -22.927
  955    HZ2  LYS 124           HZ2      LYS 124  16.485  -1.227 -22.708
  956    HZ3  LYS 124           HZ3      LYS 124  17.405  -0.173 -23.553
  957    H    SER 125           H        SER 125  14.108   2.990 -23.960
  958    HA   SER 125           HA       SER 125  14.378   1.673 -26.288
  959    HB2  SER 125           HB2      SER 125  16.339   3.764 -25.310
  960    HB3  SER 125           HB3      SER 125  16.033   3.313 -27.004
  961    HG   SER 125           HG       SER 125  14.750   5.137 -26.426
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  11.976  23.749  11.871
    2    H2   MET   1           H2       MET   1  10.352  23.585  11.866
    3    H3   MET   1           H3       MET   1  11.272  22.482  12.639
    4    HA   MET   1           HA       MET   1  11.232  22.946   9.717
    5    HB2  MET   1           HB2      MET   1  12.745  20.838  11.336
    6    HB3  MET   1           HB3      MET   1  12.557  20.793   9.589
    7    HG2  MET   1           HG2      MET   1  14.009  22.943  11.174
    8    HG3  MET   1           HG3      MET   1  14.740  21.676  10.211
    9    HE1  MET   1           HE1      MET   1  15.035  21.655   7.663
   10    HE2  MET   1           HE2      MET   1  13.273  21.560   7.435
   11    HE3  MET   1           HE3      MET   1  14.220  22.765   6.540
   12    H    ALA   2           H        ALA   2  10.240  21.252   8.437
   13    HA   ALA   2           HA       ALA   2   7.775  20.216   9.593
   14    HB1  ALA   2           HB1      ALA   2   7.371  19.444   7.289
   15    HB2  ALA   2           HB2      ALA   2   7.927  21.123   7.289
   16    HB3  ALA   2           HB3      ALA   2   9.048  19.811   6.845
   17    H    SER   3           H        SER   3   7.099  17.911   9.235
   18    HA   SER   3           HA       SER   3   9.019  16.050  10.382
   19    HB2  SER   3           HB2      SER   3   7.081  14.457  10.232
   20    HB3  SER   3           HB3      SER   3   6.770  15.925  11.165
   21    HG   SER   3           HG       SER   3   5.026  15.421   9.721
   22    HA   PRO   4           HA       PRO   4  10.563  14.027   6.768
   23    HB2  PRO   4           HB2      PRO   4   9.738  11.389   7.991
   24    HB3  PRO   4           HB3      PRO   4  11.316  11.865   7.287
   25    HG2  PRO   4           HG2      PRO   4  10.996  11.806   9.974
   26    HG3  PRO   4           HG3      PRO   4  11.860  13.181   9.210
   27    HD2  PRO   4           HD2      PRO   4   8.970  13.056  10.121
   28    HD3  PRO   4           HD3      PRO   4  10.202  14.329  10.402
   29    H    HIS   5           H        HIS   5   9.940  13.201   4.765
   30    HA   HIS   5           HA       HIS   5   7.500  11.746   4.277
   31    HB2  HIS   5           HB2      HIS   5   6.751  14.200   4.661
   32    HB3  HIS   5           HB3      HIS   5   7.604  14.590   3.178
   33    HD1  HIS   5           HD1      HIS   5   4.703  12.270   4.363
   34    HD2  HIS   5           HD2      HIS   5   6.174  14.294   0.978
   35    HE1  HIS   5           HE1      HIS   5   2.964  11.955   2.527
   36    H    GLN   6           H        GLN   6   7.182  11.572   1.746
   37    HA   GLN   6           HA       GLN   6   9.774  10.846   0.591
   38    HB2  GLN   6           HB2      GLN   6   6.934  10.765  -0.534
   39    HB3  GLN   6           HB3      GLN   6   8.373  10.197  -1.388
   40    HG2  GLN   6           HG2      GLN   6   8.785   8.559   0.479
   41    HG3  GLN   6           HG3      GLN   6   7.237   9.028   1.189
   42   HE21  GLN   6          HE22      GLN   6   7.681   6.334   0.420
   43   HE22  GLN   6          HE21      GLN   6   6.727   6.005  -1.023
   44    H    GLU   7           H        GLU   7  10.769  11.702  -1.226
   45    HA   GLU   7           HA       GLU   7   9.555  14.012  -2.610
   46    HB2  GLU   7           HB2      GLU   7  12.405  13.926  -1.542
   47    HB3  GLU   7           HB3      GLU   7  11.840  15.043  -2.789
   48    HG2  GLU   7           HG2      GLU   7  10.136  15.939  -1.196
   49    HG3  GLU   7           HG3      GLU   7  10.790  14.888   0.069
   50    HA   PRO   8           HA       PRO   8  10.759  11.036  -5.731
   51    HB2  PRO   8           HB2      PRO   8   9.784  12.202  -7.985
   52    HB3  PRO   8           HB3      PRO   8   8.719  11.557  -6.702
   53    HG2  PRO   8           HG2      PRO   8   9.625  14.431  -7.088
   54    HG3  PRO   8           HG3      PRO   8   7.955  13.826  -6.840
   55    HD2  PRO   8           HD2      PRO   8   9.473  14.786  -4.780
   56    HD3  PRO   8           HD3      PRO   8   8.357  13.401  -4.550
   57    H    LYS   9           H        LYS   9  12.314  10.620  -7.225
   58    HA   LYS   9           HA       LYS   9  14.078  12.820  -8.180
   59    HB2  LYS   9           HB2      LYS   9  14.781  10.089  -7.020
   60    HB3  LYS   9           HB3      LYS   9  15.938  11.000  -7.975
   61    HG2  LYS   9           HG2      LYS   9  14.655  11.972  -5.390
   62    HG3  LYS   9           HG3      LYS   9  16.272  11.283  -5.555
   63    HD2  LYS   9           HD2      LYS   9  16.832  13.142  -7.190
   64    HD3  LYS   9           HD3      LYS   9  15.308  13.923  -6.768
   65    HE2  LYS   9           HE2      LYS   9  17.551  13.235  -4.806
   66    HE3  LYS   9           HE3      LYS   9  17.302  14.818  -5.538
   67    HZ1  LYS   9           HZ1      LYS   9  15.118  14.922  -4.432
   68    HZ2  LYS   9           HZ2      LYS   9  15.381  13.471  -3.703
   69    HZ3  LYS   9           HZ3      LYS   9  16.323  14.753  -3.345
   70    HA   PRO  10           HA       PRO  10  13.708  11.737 -12.342
   71    HB2  PRO  10           HB2      PRO  10  16.679  11.129 -12.338
   72    HB3  PRO  10           HB3      PRO  10  15.717  12.010 -13.570
   73    HG2  PRO  10           HG2      PRO  10  17.100  13.411 -11.748
   74    HG3  PRO  10           HG3      PRO  10  15.397  13.869 -12.085
   75    HD2  PRO  10           HD2      PRO  10  16.500  12.247  -9.788
   76    HD3  PRO  10           HD3      PRO  10  15.274  13.548  -9.767
   77    H    GLY  11           H        GLY  11  12.789   9.983 -13.232
   78    HA2  GLY  11           HA2      GLY  11  12.745   7.837 -14.183
   79    HA3  GLY  11           HA3      GLY  11  14.070   7.314 -13.115
   80    H    ASP  12           H        ASP  12  12.121   8.742 -10.921
   81    HA   ASP  12           HA       ASP  12  11.103   6.302  -9.902
   82    HB2  ASP  12           HB2      ASP  12  10.533   9.194  -9.187
   83    HB3  ASP  12           HB3      ASP  12   9.778   7.852  -8.361
   84    H    LEU  13           H        LEU  13   9.150   5.419  -9.706
   85    HA   LEU  13           HA       LEU  13   6.947   6.231 -11.528
   86    HB2  LEU  13           HB2      LEU  13   7.310   3.848  -9.636
   87    HB3  LEU  13           HB3      LEU  13   5.864   4.163 -10.568
   88    HG   LEU  13           HG       LEU  13   6.894   2.486 -11.739
   89   HD11  LEU  13          HD11      LEU  13   6.235   4.458 -13.144
   90   HD12  LEU  13          HD12      LEU  13   7.940   4.932 -13.193
   91   HD13  LEU  13          HD13      LEU  13   7.436   3.383 -13.894
   92   HD21  LEU  13          HD21      LEU  13   9.601   3.871 -11.592
   93   HD22  LEU  13          HD22      LEU  13   9.079   2.462 -10.642
   94   HD23  LEU  13          HD23      LEU  13   9.230   2.335 -12.402
   95    H    ILE  14           H        ILE  14   5.252   7.409 -10.813
   96    HA   ILE  14           HA       ILE  14   4.851   7.690  -7.842
   97    HB   ILE  14           HB       ILE  14   4.236   9.736 -10.016
   98   HG12  ILE  14          HG12      ILE  14   6.365   9.685  -7.828
   99   HG13  ILE  14          HG13      ILE  14   6.646   9.656  -9.572
  100   HG21  ILE  14          HG21      ILE  14   3.951  10.003  -6.985
  101   HG22  ILE  14          HG22      ILE  14   3.461  11.188  -8.217
  102   HG23  ILE  14          HG23      ILE  14   2.591   9.675  -8.075
  103   HD11  ILE  14          HD11      ILE  14   7.135  11.865  -8.757
  104   HD12  ILE  14          HD12      ILE  14   5.652  11.957  -9.734
  105   HD13  ILE  14          HD13      ILE  14   5.571  11.996  -7.951
  106    H    GLU  15           H        GLU  15   2.917   7.048  -7.118
  107    HA   GLU  15           HA       GLU  15   0.760   6.377  -9.072
  108    HB2  GLU  15           HB2      GLU  15  -0.151   4.872  -7.411
  109    HB3  GLU  15           HB3      GLU  15   1.488   4.421  -7.890
  110    HG2  GLU  15           HG2      GLU  15   2.348   5.462  -5.773
  111    HG3  GLU  15           HG3      GLU  15   0.675   5.779  -5.295
  112    H    ILE  16           H        ILE  16  -1.166   7.315  -8.826
  113    HA   ILE  16           HA       ILE  16  -1.481   9.541  -6.844
  114    HB   ILE  16           HB       ILE  16  -1.946   9.516  -9.855
  115   HG12  ILE  16          HG12      ILE  16  -0.077  11.410  -8.404
  116   HG13  ILE  16          HG13      ILE  16   0.490   9.837  -8.926
  117   HG21  ILE  16          HG21      ILE  16  -2.466  11.769  -7.861
  118   HG22  ILE  16          HG22      ILE  16  -2.588  11.919  -9.622
  119   HG23  ILE  16          HG23      ILE  16  -3.701  10.863  -8.764
  120   HD11  ILE  16          HD11      ILE  16  -0.696  11.848 -10.859
  121   HD12  ILE  16          HD12      ILE  16   1.033  11.612 -10.534
  122   HD13  ILE  16          HD13      ILE  16   0.084  10.288 -11.227
  123    H    PHE  17           H        PHE  17  -3.480   9.712  -5.987
  124    HA   PHE  17           HA       PHE  17  -5.562   7.731  -6.820
  125    HB2  PHE  17           HB2      PHE  17  -5.021   8.927  -4.078
  126    HB3  PHE  17           HB3      PHE  17  -6.209   7.694  -4.470
  127    HD1  PHE  17           HD2      PHE  17  -5.446   5.389  -5.185
  128    HD2  PHE  17           HD1      PHE  17  -2.682   8.381  -3.756
  129    HE1  PHE  17           HE2      PHE  17  -3.715   3.639  -4.861
  130    HE2  PHE  17           HE1      PHE  17  -0.967   6.629  -3.417
  131    HZ   PHE  17           HZ       PHE  17  -1.469   4.258  -3.976
  132    H    ARG  18           H        ARG  18  -6.721   8.971  -8.247
  133    HA   ARG  18           HA       ARG  18  -7.729  11.636  -7.476
  134    HB2  ARG  18           HB2      ARG  18  -8.542  10.028  -9.933
  135    HB3  ARG  18           HB3      ARG  18  -8.713  11.750  -9.640
  136    HG2  ARG  18           HG2      ARG  18  -6.134  11.876  -9.629
  137    HG3  ARG  18           HG3      ARG  18  -6.148  10.215 -10.237
  138    HD2  ARG  18           HD2      ARG  18  -7.557  10.924 -12.145
  139    HD3  ARG  18           HD3      ARG  18  -7.549  12.585 -11.570
  140    HE   ARG  18           HE       ARG  18  -5.472  11.191 -13.043
  141   HH11  ARG  18          HH11      ARG  18  -5.935  13.969 -10.867
  142   HH12  ARG  18          HH12      ARG  18  -4.608  14.835 -11.588
  143   HH21  ARG  18          HH21      ARG  18  -3.770  12.399 -13.905
  144   HH22  ARG  18          HH22      ARG  18  -3.447  13.986 -13.253
  145    H    LEU  19           H        LEU  19 -10.159  11.995  -7.694
  146    HA   LEU  19           HA       LEU  19 -11.555  10.385  -5.823
  147    HB2  LEU  19           HB2      LEU  19 -12.009  12.759  -6.220
  148    HB3  LEU  19           HB3      LEU  19 -12.569  12.413  -7.854
  149    HG   LEU  19           HG       LEU  19 -14.485  11.125  -6.934
  150   HD11  LEU  19          HD11      LEU  19 -13.421  11.998  -4.205
  151   HD12  LEU  19          HD12      LEU  19 -15.018  11.281  -4.501
  152   HD13  LEU  19          HD13      LEU  19 -13.563  10.325  -4.798
  153   HD21  LEU  19          HD21      LEU  19 -14.193  13.927  -5.758
  154   HD22  LEU  19          HD22      LEU  19 -14.712  13.537  -7.416
  155   HD23  LEU  19          HD23      LEU  19 -15.720  13.062  -6.041
  156    H    GLY  20           H        GLY  20 -11.933   8.288  -6.186
  157    HA2  GLY  20           HA2      GLY  20 -13.318   6.552  -6.883
  158    HA3  GLY  20           HA3      GLY  20 -13.810   7.481  -8.310
  159    H    TYR  21           H        TYR  21 -10.443   7.545  -8.368
  160    HA   TYR  21           HA       TYR  21  -9.898   4.928  -9.390
  161    HB2  TYR  21           HB2      TYR  21  -9.653   5.351 -11.725
  162    HB3  TYR  21           HB3      TYR  21 -11.299   5.695 -11.266
  163    HD1  TYR  21           HD1      TYR  21 -11.978   8.187 -10.919
  164    HD2  TYR  21           HD2      TYR  21  -8.360   6.942 -12.906
  165    HE1  TYR  21           HE1      TYR  21 -11.832  10.398 -12.037
  166    HE2  TYR  21           HE2      TYR  21  -8.223   9.136 -14.044
  167    HH   TYR  21           HH       TYR  21  -9.216  11.217 -14.361
  168    H    GLU  22           H        GLU  22  -7.806   4.465  -9.686
  169    HA   GLU  22           HA       GLU  22  -5.778   6.347  -8.870
  170    HB2  GLU  22           HB2      GLU  22  -5.454   3.551 -10.004
  171    HB3  GLU  22           HB3      GLU  22  -4.269   4.474  -9.084
  172    HG2  GLU  22           HG2      GLU  22  -5.022   3.224  -7.372
  173    HG3  GLU  22           HG3      GLU  22  -6.278   4.453  -7.262
  174    H    HIS  23           H        HIS  23  -3.799   6.778  -9.996
  175    HA   HIS  23           HA       HIS  23  -3.640   6.607 -12.941
  176    HB2  HIS  23           HB2      HIS  23  -4.980   8.614 -12.532
  177    HB3  HIS  23           HB3      HIS  23  -3.852   9.177 -11.307
  178    HD1  HIS  23           HD1      HIS  23  -1.352   9.953 -12.306
  179    HD2  HIS  23           HD2      HIS  23  -4.592   9.595 -14.956
  180    HE1  HIS  23           HE1      HIS  23  -0.821  11.456 -14.282
  181    H    TRP  24           H        TRP  24  -1.375   7.247 -13.661
  182    HA   TRP  24           HA       TRP  24   0.685   7.110 -11.487
  183    HB2  TRP  24           HB2      TRP  24   0.355   5.185 -13.815
  184    HB3  TRP  24           HB3      TRP  24   1.840   5.365 -12.897
  185    HD1  TRP  24           HD1      TRP  24   2.052   4.274 -10.592
  186    HE1  TRP  24           HE1      TRP  24   0.628   2.620  -9.229
  187    HE3  TRP  24           HE3      TRP  24  -2.277   4.497 -13.315
  188    HZ2  TRP  24           HZ2      TRP  24  -2.036   1.517  -9.334
  189    HZ3  TRP  24           HZ3      TRP  24  -4.244   3.120 -12.667
  190    HH2  TRP  24           HH2      TRP  24  -4.122   1.610 -10.706
  191    H    ALA  25           H        ALA  25   2.821   7.649 -12.150
  192    HA   ALA  25           HA       ALA  25   3.177   8.949 -14.789
  193    HB1  ALA  25           HB1      ALA  25   3.816  11.084 -13.802
  194    HB2  ALA  25           HB2      ALA  25   2.157  10.698 -13.315
  195    HB3  ALA  25           HB3      ALA  25   3.490  10.480 -12.162
  196    H    LEU  26           H        LEU  26   5.281   9.394 -15.354
  197    HA   LEU  26           HA       LEU  26   7.485   8.101 -13.813
  198    HB2  LEU  26           HB2      LEU  26   6.880   7.509 -16.301
  199    HB3  LEU  26           HB3      LEU  26   7.489   9.090 -16.718
  200    HG   LEU  26           HG       LEU  26   9.119   7.412 -17.197
  201   HD11  LEU  26          HD11      LEU  26  11.091   8.212 -16.088
  202   HD12  LEU  26          HD12      LEU  26   9.986   9.581 -16.324
  203   HD13  LEU  26          HD13      LEU  26  10.156   8.830 -14.718
  204   HD21  LEU  26          HD21      LEU  26   9.116   6.625 -14.251
  205   HD22  LEU  26          HD22      LEU  26   8.329   5.701 -15.556
  206   HD23  LEU  26          HD23      LEU  26  10.086   5.906 -15.538
  207    H    TYR  27           H        TYR  27   8.579   9.576 -12.554
  208    HA   TYR  27           HA       TYR  27   8.297  12.462 -13.064
  209    HB2  TYR  27           HB2      TYR  27   8.133  11.520 -10.810
  210    HB3  TYR  27           HB3      TYR  27   9.773  10.904 -10.922
  211    HD1  TYR  27           HD1      TYR  27   7.698  13.968 -10.561
  212    HD2  TYR  27           HD2      TYR  27  11.681  12.382 -10.708
  213    HE1  TYR  27           HE1      TYR  27   8.573  16.103  -9.636
  214    HE2  TYR  27           HE2      TYR  27  12.563  14.470  -9.673
  215    HH   TYR  27           HH       TYR  27  12.037  16.553  -8.815
  216    H    ILE  28           H        ILE  28   9.725  13.802 -14.007
  217    HA   ILE  28           HA       ILE  28  12.232  12.510 -15.068
  218    HB   ILE  28           HB       ILE  28  12.027  13.815 -17.029
  219   HG12  ILE  28          HG12      ILE  28   9.468  15.050 -15.944
  220   HG13  ILE  28          HG13      ILE  28  11.023  15.885 -16.051
  221   HG21  ILE  28          HG21      ILE  28  10.695  11.650 -16.709
  222   HG22  ILE  28          HG22      ILE  28   9.243  12.653 -16.537
  223   HG23  ILE  28          HG23      ILE  28  10.193  12.690 -18.033
  224   HD11  ILE  28          HD11      ILE  28   9.349  14.832 -18.362
  225   HD12  ILE  28          HD12      ILE  28   9.696  16.523 -17.954
  226   HD13  ILE  28          HD13      ILE  28  11.002  15.466 -18.537
  227    H    GLY  29           H        GLY  29  11.592  14.583 -12.666
  228    HA2  GLY  29           HA2      GLY  29  13.367  15.667 -11.442
  229    HA3  GLY  29           HA3      GLY  29  14.238  15.964 -12.951
  230    H    ASP  30           H        ASP  30  13.903  17.921 -11.108
  231    HA   ASP  30           HA       ASP  30  13.388  20.088 -10.843
  232    HB2  ASP  30           HB2      ASP  30  14.404  19.955 -13.151
  233    HB3  ASP  30           HB3      ASP  30  12.781  20.065 -13.819
  234    H    GLY  31           H        GLY  31  11.078  18.182 -10.594
  235    HA2  GLY  31           HA2      GLY  31   8.954  18.530  -9.677
  236    HA3  GLY  31           HA3      GLY  31   8.893  20.162 -10.377
  237    H    TYR  32           H        TYR  32   9.815  18.067 -12.858
  238    HA   TYR  32           HA       TYR  32   7.046  18.109 -13.909
  239    HB2  TYR  32           HB2      TYR  32   9.745  17.810 -15.269
  240    HB3  TYR  32           HB3      TYR  32   8.210  17.667 -16.109
  241    HD1  TYR  32           HD2      TYR  32  10.460  20.011 -14.343
  242    HD2  TYR  32           HD1      TYR  32   6.823  19.595 -16.613
  243    HE1  TYR  32           HE2      TYR  32  10.376  22.474 -14.639
  244    HE2  TYR  32           HE1      TYR  32   6.736  22.064 -16.927
  245    HH   TYR  32           HH       TYR  32   9.263  24.241 -15.590
  246    H    VAL  33           H        VAL  33   6.114  16.443 -15.097
  247    HA   VAL  33           HA       VAL  33   7.098  13.662 -14.628
  248    HB   VAL  33           HB       VAL  33   4.743  12.996 -14.116
  249   HG11  VAL  33          HG11      VAL  33   5.972  14.847 -12.053
  250   HG12  VAL  33          HG12      VAL  33   4.738  13.606 -11.752
  251   HG13  VAL  33          HG13      VAL  33   6.345  13.119 -12.294
  252   HG21  VAL  33          HG21      VAL  33   3.090  14.570 -13.346
  253   HG22  VAL  33          HG22      VAL  33   4.208  15.927 -13.547
  254   HG23  VAL  33          HG23      VAL  33   3.611  15.058 -14.973
  255    H    ILE  34           H        ILE  34   6.210  12.093 -15.984
  256    HA   ILE  34           HA       ILE  34   4.599  13.021 -18.344
  257    HB   ILE  34           HB       ILE  34   7.015  11.168 -18.184
  258   HG12  ILE  34          HG12      ILE  34   6.260  13.522 -19.969
  259   HG13  ILE  34          HG13      ILE  34   7.335  13.592 -18.578
  260   HG21  ILE  34          HG21      ILE  34   6.478  10.486 -20.574
  261   HG22  ILE  34          HG22      ILE  34   5.314   9.868 -19.415
  262   HG23  ILE  34          HG23      ILE  34   4.903  11.282 -20.405
  263   HD11  ILE  34          HD11      ILE  34   8.920  12.057 -19.727
  264   HD12  ILE  34          HD12      ILE  34   7.894  12.129 -21.173
  265   HD13  ILE  34          HD13      ILE  34   8.669  13.593 -20.571
  266    H    HIS  35           H        HIS  35   2.817  11.709 -18.880
  267    HA   HIS  35           HA       HIS  35   2.262   9.282 -17.300
  268    HB2  HIS  35           HB2      HIS  35   0.311  10.184 -16.198
  269    HB3  HIS  35           HB3      HIS  35   1.705  11.163 -15.754
  270    HD1  HIS  35           HD1      HIS  35  -1.774  11.614 -16.736
  271    HD2  HIS  35           HD2      HIS  35   1.888  13.575 -17.452
  272    HE1  HIS  35           HE1      HIS  35  -2.347  13.960 -17.561
  273    H    LEU  36           H        LEU  36   0.109   8.318 -17.960
  274    HA   LEU  36           HA       LEU  36  -0.658   9.083 -20.754
  275    HB2  LEU  36           HB2      LEU  36   0.256   6.876 -20.647
  276    HB3  LEU  36           HB3      LEU  36  -0.705   6.454 -19.230
  277    HG   LEU  36           HG       LEU  36  -2.756   6.402 -20.563
  278   HD11  LEU  36          HD11      LEU  36  -0.963   7.243 -22.887
  279   HD12  LEU  36          HD12      LEU  36  -2.610   6.604 -23.064
  280   HD13  LEU  36          HD13      LEU  36  -2.359   8.115 -22.214
  281   HD21  LEU  36          HD21      LEU  36  -1.398   4.360 -20.424
  282   HD22  LEU  36          HD22      LEU  36  -2.149   4.474 -22.025
  283   HD23  LEU  36          HD23      LEU  36  -0.430   4.874 -21.822
  284    H    ALA  37           H        ALA  37  -2.561  10.128 -20.939
  285    HA   ALA  37           HA       ALA  37  -4.234  10.388 -18.515
  286    HB1  ALA  37           HB1      ALA  37  -3.468  12.409 -19.675
  287    HB2  ALA  37           HB2      ALA  37  -4.243  11.871 -21.187
  288    HB3  ALA  37           HB3      ALA  37  -5.235  12.277 -19.769
  289    HA   PRO  38           HA       PRO  38  -7.169   7.513 -20.313
  290    HB2  PRO  38           HB2      PRO  38  -9.321   7.811 -18.647
  291    HB3  PRO  38           HB3      PRO  38  -7.794   7.030 -18.137
  292    HG2  PRO  38           HG2      PRO  38  -8.651   9.911 -17.700
  293    HG3  PRO  38           HG3      PRO  38  -7.993   8.754 -16.493
  294    HD2  PRO  38           HD2      PRO  38  -6.414  10.591 -17.753
  295    HD3  PRO  38           HD3      PRO  38  -5.807   8.957 -17.339
  296    HA   PRO  39           HA       PRO  39  -9.652   9.879 -23.075
  297    HB2  PRO  39           HB2      PRO  39 -11.921   7.944 -22.881
  298    HB3  PRO  39           HB3      PRO  39 -10.951   8.432 -24.305
  299    HG2  PRO  39           HG2      PRO  39 -10.628   5.989 -23.123
  300    HG3  PRO  39           HG3      PRO  39  -9.236   6.906 -23.785
  301    HD2  PRO  39           HD2      PRO  39 -10.181   6.746 -20.907
  302    HD3  PRO  39           HD3      PRO  39  -8.529   6.586 -21.567
  303    H    SER  40           H        SER  40 -11.291  11.461 -23.214
  304    HA   SER  40           HA       SER  40 -12.472  12.414 -20.828
  305    HB2  SER  40           HB2      SER  40 -13.369  12.993 -23.675
  306    HB3  SER  40           HB3      SER  40 -13.579  14.038 -22.263
  307    HG   SER  40           HG       SER  40 -11.318  14.369 -22.214
  308    H    GLU  41           H        GLU  41 -13.709  10.085 -23.100
  309    HA   GLU  41           HA       GLU  41 -15.764   9.250 -21.291
  310    HB2  GLU  41           HB2      GLU  41 -16.998  11.114 -22.391
  311    HB3  GLU  41           HB3      GLU  41 -16.763  10.336 -23.957
  312    HG2  GLU  41           HG2      GLU  41 -18.066   8.381 -23.187
  313    HG3  GLU  41           HG3      GLU  41 -18.162   9.061 -21.558
  314    H    TYR  42           H        TYR  42 -14.671   7.367 -21.319
  315    HA   TYR  42           HA       TYR  42 -13.640   6.038 -23.604
  316    HB2  TYR  42           HB2      TYR  42 -13.447   4.110 -21.870
  317    HB3  TYR  42           HB3      TYR  42 -12.571   5.601 -21.609
  318    HD1  TYR  42           HD2      TYR  42 -15.942   4.107 -20.714
  319    HD2  TYR  42           HD1      TYR  42 -12.564   6.486 -19.465
  320    HE1  TYR  42           HE2      TYR  42 -16.963   4.376 -18.474
  321    HE2  TYR  42           HE1      TYR  42 -13.572   6.729 -17.207
  322    HH   TYR  42           HH       TYR  42 -16.740   5.255 -16.348
  323    HA   PRO  43           HA       PRO  43 -16.954   3.355 -25.038
  324    HB2  PRO  43           HB2      PRO  43 -15.646   1.009 -25.596
  325    HB3  PRO  43           HB3      PRO  43 -15.517   2.476 -26.610
  326    HG2  PRO  43           HG2      PRO  43 -13.624   1.551 -24.437
  327    HG3  PRO  43           HG3      PRO  43 -13.230   2.074 -26.108
  328    HD2  PRO  43           HD2      PRO  43 -13.018   3.777 -24.015
  329    HD3  PRO  43           HD3      PRO  43 -13.650   4.345 -25.584
  330    H    GLY  44           H        GLY  44 -18.198   1.493 -24.348
  331    HA2  GLY  44           HA2      GLY  44 -18.903  -0.174 -22.902
  332    HA3  GLY  44           HA3      GLY  44 -17.418   0.014 -21.942
  333    H    ALA  45           H        ALA  45 -18.731   3.081 -22.181
  334    HA   ALA  45           HA       ALA  45 -19.746   3.137 -19.486
  335    HB1  ALA  45           HB1      ALA  45 -20.295   5.447 -19.981
  336    HB2  ALA  45           HB2      ALA  45 -18.720   5.079 -20.706
  337    HB3  ALA  45           HB3      ALA  45 -20.178   5.161 -21.724
  338    H    GLY  46           H        GLY  46 -21.307   2.501 -22.568
  339    HA2  GLY  46           HA2      GLY  46 -23.224   1.181 -22.796
  340    HA3  GLY  46           HA3      GLY  46 -23.685   1.524 -21.114
  341    H    SER  47           H        SER  47 -22.940   4.246 -23.175
  342    HA   SER  47           HA       SER  47 -25.671   4.717 -24.100
  343    HB2  SER  47           HB2      SER  47 -26.141   6.686 -22.735
  344    HB3  SER  47           HB3      SER  47 -26.006   5.230 -21.748
  345    HG   SER  47           HG       SER  47 -24.865   6.892 -20.724
  346    H    SER  48           H        SER  48 -24.086   7.650 -23.346
  347    HA   SER  48           HA       SER  48 -23.830   8.511 -26.003
  348    HB2  SER  48           HB2      SER  48 -22.297   9.449 -23.555
  349    HB3  SER  48           HB3      SER  48 -22.514  10.360 -25.065
  350    HG   SER  48           HG       SER  48 -24.049  10.979 -23.427
  351    H    SER  49           H        SER  49 -21.656   6.448 -24.261
  352    HA   SER  49           HA       SER  49 -19.191   6.701 -25.605
  353    HB2  SER  49           HB2      SER  49 -19.087   4.190 -25.130
  354    HB3  SER  49           HB3      SER  49 -19.332   5.274 -23.755
  355    HG   SER  49           HG       SER  49 -21.157   3.450 -24.922
  356    H    VAL  50           H        VAL  50 -22.263   5.225 -26.763
  357    HA   VAL  50           HA       VAL  50 -21.041   3.877 -28.998
  358    HB   VAL  50           HB       VAL  50 -23.180   3.512 -29.947
  359   HG11  VAL  50          HG11      VAL  50 -24.334   2.378 -28.158
  360   HG12  VAL  50          HG12      VAL  50 -22.584   2.196 -27.943
  361   HG13  VAL  50          HG13      VAL  50 -23.492   3.336 -26.930
  362   HG21  VAL  50          HG21      VAL  50 -24.273   5.640 -29.892
  363   HG22  VAL  50          HG22      VAL  50 -25.285   4.494 -29.014
  364   HG23  VAL  50          HG23      VAL  50 -24.296   5.671 -28.127
  365    H    PHE  51           H        PHE  51 -21.694   7.226 -28.551
  366    HA   PHE  51           HA       PHE  51 -21.233   7.826 -31.447
  367    HB2  PHE  51           HB2      PHE  51 -22.023   9.684 -29.167
  368    HB3  PHE  51           HB3      PHE  51 -21.881  10.105 -30.867
  369    HD1  PHE  51           HD2      PHE  51 -23.397   8.746 -32.552
  370    HD2  PHE  51           HD1      PHE  51 -24.126   9.009 -28.308
  371    HE1  PHE  51           HE2      PHE  51 -25.770   8.099 -32.914
  372    HE2  PHE  51           HE1      PHE  51 -26.492   8.359 -28.674
  373    HZ   PHE  51           HZ       PHE  51 -27.317   7.906 -30.982
  374    H    SER  52           H        SER  52 -20.026   8.561 -28.111
  375    HA   SER  52           HA       SER  52 -17.753  10.019 -28.939
  376    HB2  SER  52           HB2      SER  52 -18.242   8.464 -26.384
  377    HB3  SER  52           HB3      SER  52 -16.921   9.615 -26.629
  378    HG   SER  52           HG       SER  52 -19.127  10.312 -25.690
  379    H    VAL  53           H        VAL  53 -18.078   6.490 -28.990
  380    HA   VAL  53           HA       VAL  53 -15.354   5.770 -29.141
  381    HB   VAL  53           HB       VAL  53 -16.046   4.040 -30.885
  382   HG11  VAL  53          HG11      VAL  53 -17.232   2.668 -29.221
  383   HG12  VAL  53          HG12      VAL  53 -15.802   3.499 -28.582
  384   HG13  VAL  53          HG13      VAL  53 -17.421   4.095 -28.183
  385   HG21  VAL  53          HG21      VAL  53 -18.401   3.592 -31.225
  386   HG22  VAL  53          HG22      VAL  53 -18.853   5.026 -30.290
  387   HG23  VAL  53          HG23      VAL  53 -17.998   5.204 -31.836
  388    H    LEU  54           H        LEU  54 -17.077   7.761 -31.448
  389    HA   LEU  54           HA       LEU  54 -15.126   7.446 -33.609
  390    HB2  LEU  54           HB2      LEU  54 -17.306   9.526 -33.143
  391    HB3  LEU  54           HB3      LEU  54 -16.438   9.265 -34.646
  392    HG   LEU  54           HG       LEU  54 -18.346   7.266 -33.349
  393   HD11  LEU  54          HD11      LEU  54 -19.826   7.813 -35.231
  394   HD12  LEU  54          HD12      LEU  54 -19.469   9.258 -34.273
  395   HD13  LEU  54          HD13      LEU  54 -18.654   9.007 -35.832
  396   HD21  LEU  54          HD21      LEU  54 -16.618   6.059 -34.605
  397   HD22  LEU  54          HD22      LEU  54 -18.146   6.019 -35.495
  398   HD23  LEU  54          HD23      LEU  54 -16.853   7.128 -36.006
  399    H    SER  55           H        SER  55 -15.057   9.200 -30.667
  400    HA   SER  55           HA       SER  55 -13.103  11.212 -31.787
  401    HB2  SER  55           HB2      SER  55 -15.261  11.643 -29.689
  402    HB3  SER  55           HB3      SER  55 -14.076  12.841 -30.238
  403    HG   SER  55           HG       SER  55 -16.103  13.096 -31.317
  404    H    ASN  56           H        ASN  56 -13.963   9.273 -28.867
  405    HA   ASN  56           HA       ASN  56 -11.999  10.597 -27.243
  406    HB2  ASN  56           HB2      ASN  56 -12.780   9.352 -25.486
  407    HB3  ASN  56           HB3      ASN  56 -14.189   9.406 -26.532
  408   HD21  ASN  56          HD22      ASN  56 -14.638   7.384 -27.864
  409   HD22  ASN  56          HD21      ASN  56 -14.046   5.855 -27.229
  410    H    SER  57           H        SER  57 -10.039   9.840 -26.317
  411    HA   SER  57           HA       SER  57  -8.871   7.272 -26.950
  412    HB2  SER  57           HB2      SER  57  -6.891   8.165 -28.192
  413    HB3  SER  57           HB3      SER  57  -8.390   8.232 -29.114
  414    HG   SER  57           HG       SER  57  -8.542  10.501 -28.512
  415    H    ALA  58           H        ALA  58  -6.783   6.934 -25.882
  416    HA   ALA  58           HA       ALA  58  -6.220   8.799 -23.607
  417    HB1  ALA  58           HB1      ALA  58  -4.940   6.916 -22.717
  418    HB2  ALA  58           HB2      ALA  58  -6.585   6.381 -23.099
  419    HB3  ALA  58           HB3      ALA  58  -5.242   5.961 -24.189
  420    H    GLU  59           H        GLU  59  -4.151   9.680 -23.333
  421    HA   GLU  59           HA       GLU  59  -2.276   9.530 -25.646
  422    HB2  GLU  59           HB2      GLU  59  -3.976  11.434 -25.904
  423    HB3  GLU  59           HB3      GLU  59  -3.207  12.182 -24.491
  424    HG2  GLU  59           HG2      GLU  59  -1.027  12.179 -25.720
  425    HG3  GLU  59           HG3      GLU  59  -1.809  11.416 -27.106
  426    H    VAL  60           H        VAL  60  -0.129   9.729 -25.108
  427    HA   VAL  60           HA       VAL  60   0.576   9.962 -22.257
  428    HB   VAL  60           HB       VAL  60   2.416   9.868 -24.644
  429   HG11  VAL  60          HG11      VAL  60   2.942   9.332 -21.676
  430   HG12  VAL  60          HG12      VAL  60   4.143   9.188 -22.988
  431   HG13  VAL  60          HG13      VAL  60   3.481  10.762 -22.550
  432   HG21  VAL  60          HG21      VAL  60   1.508   7.597 -22.812
  433   HG22  VAL  60          HG22      VAL  60   1.082   7.782 -24.526
  434   HG23  VAL  60          HG23      VAL  60   2.758   7.478 -24.059
  435    H    LYS  61           H        LYS  61   1.127  11.785 -21.254
  436    HA   LYS  61           HA       LYS  61   1.665  14.308 -22.787
  437    HB2  LYS  61           HB2      LYS  61  -0.370  13.758 -20.582
  438    HB3  LYS  61           HB3      LYS  61   0.108  15.389 -21.064
  439    HG2  LYS  61           HG2      LYS  61  -0.702  15.003 -23.351
  440    HG3  LYS  61           HG3      LYS  61  -1.166  13.338 -22.946
  441    HD2  LYS  61           HD2      LYS  61  -2.751  14.109 -21.284
  442    HD3  LYS  61           HD3      LYS  61  -2.279  15.793 -21.514
  443    HE2  LYS  61           HE2      LYS  61  -3.735  13.987 -23.503
  444    HE3  LYS  61           HE3      LYS  61  -4.431  15.294 -22.554
  445    HZ1  LYS  61           HZ1      LYS  61  -2.839  16.813 -23.781
  446    HZ2  LYS  61           HZ2      LYS  61  -2.522  15.552 -24.813
  447    HZ3  LYS  61           HZ3      LYS  61  -4.025  16.162 -24.699
  448    H    ARG  62           H        ARG  62   2.700  15.986 -21.613
  449    HA   ARG  62           HA       ARG  62   4.279  15.180 -19.187
  450    HB2  ARG  62           HB2      ARG  62   5.611  15.445 -21.291
  451    HB3  ARG  62           HB3      ARG  62   5.014  17.092 -21.449
  452    HG2  ARG  62           HG2      ARG  62   6.128  17.640 -19.230
  453    HG3  ARG  62           HG3      ARG  62   6.750  15.990 -19.189
  454    HD2  ARG  62           HD2      ARG  62   8.498  17.443 -20.003
  455    HD3  ARG  62           HD3      ARG  62   7.947  16.434 -21.353
  456    HE   ARG  62           HE       ARG  62   6.530  18.975 -21.205
  457   HH11  ARG  62          HH11      ARG  62   9.646  17.682 -22.308
  458   HH12  ARG  62          HH12      ARG  62   9.837  18.943 -23.487
  459   HH21  ARG  62          HH21      ARG  62   6.845  20.546 -22.758
  460   HH22  ARG  62          HH22      ARG  62   8.285  20.544 -23.723
  461    H    GLU  63           H        GLU  63   4.176  16.592 -17.422
  462    HA   GLU  63           HA       GLU  63   3.758  19.410 -17.725
  463    HB2  GLU  63           HB2      GLU  63   1.339  17.800 -17.226
  464    HB3  GLU  63           HB3      GLU  63   1.628  18.912 -15.909
  465    HG2  GLU  63           HG2      GLU  63   1.222  19.623 -18.817
  466    HG3  GLU  63           HG3      GLU  63   0.168  19.964 -17.460
  467    H    ARG  64           H        ARG  64   3.355  20.373 -15.347
  468    HA   ARG  64           HA       ARG  64   5.471  19.397 -13.592
  469    HB2  ARG  64           HB2      ARG  64   3.304  21.485 -13.248
  470    HB3  ARG  64           HB3      ARG  64   4.563  21.161 -12.048
  471    HG2  ARG  64           HG2      ARG  64   6.312  21.767 -13.669
  472    HG3  ARG  64           HG3      ARG  64   5.080  22.051 -14.918
  473    HD2  ARG  64           HD2      ARG  64   4.068  23.822 -13.500
  474    HD3  ARG  64           HD3      ARG  64   5.366  23.586 -12.310
  475    HE   ARG  64           HE       ARG  64   6.636  24.026 -14.775
  476   HH11  ARG  64          HH11      ARG  64   4.519  25.929 -12.665
  477   HH12  ARG  64          HH12      ARG  64   5.140  27.441 -13.249
  478   HH21  ARG  64          HH21      ARG  64   7.380  26.001 -15.499
  479   HH22  ARG  64          HH22      ARG  64   6.759  27.479 -14.832
  480    H    LEU  65           H        LEU  65   5.262  18.284 -11.674
  481    HA   LEU  65           HA       LEU  65   3.317  16.294 -11.309
  482    HB2  LEU  65           HB2      LEU  65   5.639  16.575 -10.278
  483    HB3  LEU  65           HB3      LEU  65   4.926  17.633  -9.077
  484    HG   LEU  65           HG       LEU  65   4.213  14.699  -9.538
  485   HD11  LEU  65          HD11      LEU  65   5.442  14.332  -7.407
  486   HD12  LEU  65          HD12      LEU  65   6.494  14.996  -8.665
  487   HD13  LEU  65          HD13      LEU  65   5.882  16.048  -7.368
  488   HD21  LEU  65          HD21      LEU  65   2.292  15.795  -8.509
  489   HD22  LEU  65          HD22      LEU  65   3.110  14.820  -7.312
  490   HD23  LEU  65          HD23      LEU  65   3.334  16.583  -7.302
  491    H    GLU  66           H        GLU  66   3.415  19.382  -9.457
  492    HA   GLU  66           HA       GLU  66   1.040  19.143  -8.038
  493    HB2  GLU  66           HB2      GLU  66   1.826  21.809  -9.260
  494    HB3  GLU  66           HB3      GLU  66   1.023  21.474  -7.725
  495    HG2  GLU  66           HG2      GLU  66   3.196  20.347  -7.000
  496    HG3  GLU  66           HG3      GLU  66   3.900  20.997  -8.498
  497    H    ASP  67           H        ASP  67   1.428  20.654 -11.266
  498    HA   ASP  67           HA       ASP  67  -1.300  21.206 -11.659
  499    HB2  ASP  67           HB2      ASP  67   0.994  20.889 -13.621
  500    HB3  ASP  67           HB3      ASP  67  -0.626  21.369 -14.113
  501    H    VAL  68           H        VAL  68   0.569  18.291 -12.511
  502    HA   VAL  68           HA       VAL  68  -1.568  16.976 -13.895
  503    HB   VAL  68           HB       VAL  68   0.946  15.880 -12.613
  504   HG11  VAL  68          HG11      VAL  68  -1.131  14.287 -14.176
  505   HG12  VAL  68          HG12      VAL  68   0.503  13.725 -13.764
  506   HG13  VAL  68          HG13      VAL  68  -0.661  14.030 -12.478
  507   HG21  VAL  68          HG21      VAL  68   1.361  17.105 -14.639
  508   HG22  VAL  68          HG22      VAL  68   1.416  15.402 -15.091
  509   HG23  VAL  68          HG23      VAL  68  -0.016  16.356 -15.473
  510    H    VAL  69           H        VAL  69  -0.542  16.797 -10.395
  511    HA   VAL  69           HA       VAL  69  -2.614  14.868  -9.882
  512    HB   VAL  69           HB       VAL  69  -1.930  14.927  -7.616
  513   HG11  VAL  69          HG11      VAL  69  -0.743  13.553  -9.216
  514   HG12  VAL  69          HG12      VAL  69   0.441  14.837  -9.508
  515   HG13  VAL  69          HG13      VAL  69   0.338  14.066  -7.910
  516   HG21  VAL  69          HG21      VAL  69  -0.052  17.200  -8.276
  517   HG22  VAL  69          HG22      VAL  69  -1.414  17.239  -7.146
  518   HG23  VAL  69          HG23      VAL  69  -0.003  16.241  -6.792
  519    H    GLY  70           H        GLY  70  -2.434  18.424  -9.432
  520    HA2  GLY  70           HA2      GLY  70  -4.061  19.936  -8.784
  521    HA3  GLY  70           HA3      GLY  70  -5.278  18.688  -9.106
  522    H    GLY  71           H        GLY  71  -6.521  18.392  -7.376
  523    HA2  GLY  71           HA2      GLY  71  -5.539  18.640  -4.594
  524    HA3  GLY  71           HA3      GLY  71  -7.206  18.348  -5.139
  525    H    CYS  72           H        CYS  72  -5.231  16.129  -6.735
  526    HA   CYS  72           HA       CYS  72  -6.336  13.931  -5.158
  527    HB2  CYS  72           HB2      CYS  72  -4.477  13.867  -7.575
  528    HB3  CYS  72           HB3      CYS  72  -5.415  12.526  -6.926
  529    HG   CYS  72           HG       CYS  72  -6.484  15.391  -8.258
  530    H    CYS  73           H        CYS  73  -5.173  12.305  -4.072
  531    HA   CYS  73           HA       CYS  73  -2.669  13.127  -2.773
  532    HB2  CYS  73           HB2      CYS  73  -4.582  11.956  -1.612
  533    HB3  CYS  73           HB3      CYS  73  -4.220  10.503  -2.565
  534    HG   CYS  73           HG       CYS  73  -3.303  10.266  -0.083
  535    H    TYR  74           H        TYR  74  -0.696  11.775  -2.793
  536    HA   TYR  74           HA       TYR  74  -0.310   9.830  -4.898
  537    HB2  TYR  74           HB2      TYR  74   1.221  11.013  -6.297
  538    HB3  TYR  74           HB3      TYR  74  -0.249  11.966  -6.191
  539    HD1  TYR  74           HD1      TYR  74  -0.298  14.110  -4.939
  540    HD2  TYR  74           HD2      TYR  74   3.339  11.834  -5.388
  541    HE1  TYR  74           HE1      TYR  74   1.024  16.094  -4.248
  542    HE2  TYR  74           HE2      TYR  74   4.670  13.815  -4.685
  543    HH   TYR  74           HH       TYR  74   3.137  16.947  -3.817
  544    H    ARG  75           H        ARG  75   1.849   8.939  -5.026
  545    HA   ARG  75           HA       ARG  75   3.907   9.646  -3.098
  546    HB2  ARG  75           HB2      ARG  75   3.930   7.568  -1.816
  547    HB3  ARG  75           HB3      ARG  75   2.418   8.424  -1.588
  548    HG2  ARG  75           HG2      ARG  75   1.350   6.888  -3.285
  549    HG3  ARG  75           HG3      ARG  75   2.865   5.970  -3.345
  550    HD2  ARG  75           HD2      ARG  75   1.171   6.430  -0.853
  551    HD3  ARG  75           HD3      ARG  75   1.117   4.978  -1.832
  552    HE   ARG  75           HE       ARG  75   3.182   5.765   0.085
  553   HH11  ARG  75          HH11      ARG  75   2.483   3.548  -2.617
  554   HH12  ARG  75          HH12      ARG  75   3.690   2.409  -2.075
  555   HH21  ARG  75          HH21      ARG  75   4.721   4.255   0.682
  556   HH22  ARG  75          HH22      ARG  75   4.961   2.823  -0.269
  557    H    VAL  76           H        VAL  76   5.847   8.240  -3.284
  558    HA   VAL  76           HA       VAL  76   6.280   7.340  -6.079
  559    HB   VAL  76           HB       VAL  76   8.178   7.515  -3.711
  560   HG11  VAL  76          HG11      VAL  76   8.972   5.692  -5.142
  561   HG12  VAL  76          HG12      VAL  76   8.783   6.700  -6.592
  562   HG13  VAL  76          HG13      VAL  76  10.003   7.098  -5.371
  563   HG21  VAL  76          HG21      VAL  76   8.059   9.140  -6.293
  564   HG22  VAL  76          HG22      VAL  76   7.502   9.717  -4.701
  565   HG23  VAL  76          HG23      VAL  76   9.210   9.355  -4.963
  566    H    ASN  77           H        ASN  77   6.505   5.228  -6.687
  567    HA   ASN  77           HA       ASN  77   6.687   3.068  -4.697
  568    HB2  ASN  77           HB2      ASN  77   4.253   3.510  -4.856
  569    HB3  ASN  77           HB3      ASN  77   4.309   3.215  -6.592
  570   HD21  ASN  77          HD22      ASN  77   2.554   1.622  -5.608
  571   HD22  ASN  77          HD21      ASN  77   3.172   0.013  -5.235
  572    H    ASN  78           H        ASN  78   8.775   2.978  -5.714
  573    HA   ASN  78           HA       ASN  78   9.032   2.042  -8.485
  574    HB2  ASN  78           HB2      ASN  78  11.035   2.340  -6.210
  575    HB3  ASN  78           HB3      ASN  78  11.451   1.826  -7.846
  576   HD21  ASN  78          HD22      ASN  78  12.711   4.035  -6.747
  577   HD22  ASN  78          HD21      ASN  78  12.182   5.457  -7.636
  578    H    SER  79           H        SER  79   7.455   0.253  -8.142
  579    HA   SER  79           HA       SER  79   7.922  -1.878  -6.328
  580    HB2  SER  79           HB2      SER  79   6.207  -3.045  -7.762
  581    HB3  SER  79           HB3      SER  79   5.729  -1.443  -7.170
  582    HG   SER  79           HG       SER  79   5.255  -1.708  -9.423
  583    H    LEU  80           H        LEU  80   8.616  -1.678  -9.845
  584    HA   LEU  80           HA       LEU  80   9.611  -4.351  -9.976
  585    HB2  LEU  80           HB2      LEU  80  10.058  -2.153 -12.023
  586    HB3  LEU  80           HB3      LEU  80  10.136  -3.902 -12.258
  587    HG   LEU  80           HG       LEU  80   7.644  -2.243 -11.735
  588   HD11  LEU  80          HD11      LEU  80   8.608  -3.910 -14.103
  589   HD12  LEU  80          HD12      LEU  80   7.014  -3.160 -13.980
  590   HD13  LEU  80          HD13      LEU  80   8.472  -2.139 -14.036
  591   HD21  LEU  80          HD21      LEU  80   7.349  -4.357 -10.535
  592   HD22  LEU  80          HD22      LEU  80   6.382  -4.390 -12.010
  593   HD23  LEU  80          HD23      LEU  80   7.916  -5.282 -11.946
  594    H    ASP  81           H        ASP  81  11.215  -1.647  -8.763
  595    HA   ASP  81           HA       ASP  81  13.924  -2.171  -9.512
  596    HB2  ASP  81           HB2      ASP  81  12.858  -0.195  -8.162
  597    HB3  ASP  81           HB3      ASP  81  13.010  -1.280  -6.760
  598    H    HIS  82           H        HIS  82  11.790  -3.731  -7.270
  599    HA   HIS  82           HA       HIS  82  13.799  -5.376  -5.909
  600    HB2  HIS  82           HB2      HIS  82  11.743  -4.473  -4.886
  601    HB3  HIS  82           HB3      HIS  82  10.753  -5.346  -6.047
  602    HD1  HIS  82           HD1      HIS  82  10.509  -8.018  -5.716
  603    HD2  HIS  82           HD2      HIS  82  12.725  -5.924  -2.804
  604    HE1  HIS  82           HE1      HIS  82  10.755  -9.594  -3.723
  605    H    GLU  83           H        GLU  83  12.263  -5.504  -8.975
  606    HA   GLU  83           HA       GLU  83  12.272  -8.478  -9.157
  607    HB2  GLU  83           HB2      GLU  83  10.969  -6.388 -10.958
  608    HB3  GLU  83           HB3      GLU  83  10.836  -8.137 -11.117
  609    HG2  GLU  83           HG2      GLU  83   9.753  -6.400  -8.855
  610    HG3  GLU  83           HG3      GLU  83   8.830  -7.254 -10.083
  611    H    TYR  84           H        TYR  84  13.434  -5.548 -10.808
  612    HA   TYR  84           HA       TYR  84  15.466  -7.179 -12.289
  613    HB2  TYR  84           HB2      TYR  84  14.191  -4.615 -13.281
  614    HB3  TYR  84           HB3      TYR  84  15.198  -5.738 -14.187
  615    HD1  TYR  84           HD2      TYR  84  14.269  -8.158 -14.565
  616    HD2  TYR  84           HD1      TYR  84  11.871  -4.846 -13.226
  617    HE1  TYR  84           HE2      TYR  84  12.205  -9.418 -15.162
  618    HE2  TYR  84           HE1      TYR  84   9.801  -6.100 -13.784
  619    HH   TYR  84           HH       TYR  84   8.913  -8.066 -14.627
  620    H    GLN  85           H        GLN  85  17.409  -6.030 -12.963
  621    HA   GLN  85           HA       GLN  85  18.696  -4.658 -10.803
  622    HB2  GLN  85           HB2      GLN  85  19.470  -5.218 -13.696
  623    HB3  GLN  85           HB3      GLN  85  20.572  -4.444 -12.570
  624    HG2  GLN  85           HG2      GLN  85  19.306  -7.190 -12.159
  625    HG3  GLN  85           HG3      GLN  85  20.931  -6.911 -12.769
  626   HE21  GLN  85          HE22      GLN  85  19.779  -8.228 -10.165
  627   HE22  GLN  85          HE21      GLN  85  20.744  -7.456  -8.920
  628    HA   PRO  86           HA       PRO  86  17.863  -0.369 -11.715
  629    HB2  PRO  86           HB2      PRO  86  20.270   0.937 -11.389
  630    HB3  PRO  86           HB3      PRO  86  19.249   0.334 -10.049
  631    HG2  PRO  86           HG2      PRO  86  21.637  -1.027 -11.325
  632    HG3  PRO  86           HG3      PRO  86  21.284  -0.805  -9.579
  633    HD2  PRO  86           HD2      PRO  86  20.729  -3.125 -10.827
  634    HD3  PRO  86           HD3      PRO  86  19.593  -2.459  -9.617
  635    H    ARG  87           H        ARG  87  17.473   0.592 -13.588
  636    HA   ARG  87           HA       ARG  87  19.135  -0.021 -15.991
  637    HB2  ARG  87           HB2      ARG  87  16.359   1.206 -15.771
  638    HB3  ARG  87           HB3      ARG  87  17.140   0.718 -17.258
  639    HG2  ARG  87           HG2      ARG  87  16.156  -1.116 -15.031
  640    HG3  ARG  87           HG3      ARG  87  15.396  -0.823 -16.589
  641    HD2  ARG  87           HD2      ARG  87  16.421  -2.958 -16.717
  642    HD3  ARG  87           HD3      ARG  87  17.374  -1.858 -17.723
  643    HE   ARG  87           HE       ARG  87  18.280  -2.251 -14.935
  644   HH11  ARG  87          HH11      ARG  87  18.537  -3.817 -18.078
  645   HH12  ARG  87          HH12      ARG  87  20.216  -4.213 -17.864
  646   HH21  ARG  87          HH21      ARG  87  20.549  -2.534 -14.841
  647   HH22  ARG  87          HH22      ARG  87  21.294  -3.614 -15.981
  648    HA   PRO  88           HA       PRO  88  20.729   4.123 -16.065
  649    HB2  PRO  88           HB2      PRO  88  21.018   4.738 -18.716
  650    HB3  PRO  88           HB3      PRO  88  22.023   3.534 -17.857
  651    HG2  PRO  88           HG2      PRO  88  19.572   3.024 -19.557
  652    HG3  PRO  88           HG3      PRO  88  21.155   2.188 -19.629
  653    HD2  PRO  88           HD2      PRO  88  19.016   1.180 -18.323
  654    HD3  PRO  88           HD3      PRO  88  20.673   0.965 -17.667
  655    H    VAL  89           H        VAL  89  19.442   5.656 -15.251
  656    HA   VAL  89           HA       VAL  89  16.743   6.023 -15.837
  657    HB   VAL  89           HB       VAL  89  18.760   7.776 -14.446
  658   HG11  VAL  89          HG11      VAL  89  15.780   8.378 -14.638
  659   HG12  VAL  89          HG12      VAL  89  16.922   9.114 -13.480
  660   HG13  VAL  89          HG13      VAL  89  17.129   9.412 -15.196
  661   HG21  VAL  89          HG21      VAL  89  17.559   7.033 -12.425
  662   HG22  VAL  89          HG22      VAL  89  16.390   6.146 -13.430
  663   HG23  VAL  89          HG23      VAL  89  18.090   5.636 -13.375
  664    H    GLU  90           H        GLU  90  19.445   7.771 -17.352
  665    HA   GLU  90           HA       GLU  90  17.924   9.722 -18.708
  666    HB2  GLU  90           HB2      GLU  90  19.780   9.920 -20.241
  667    HB3  GLU  90           HB3      GLU  90  20.346   9.770 -18.581
  668    HG2  GLU  90           HG2      GLU  90  20.896   7.353 -19.036
  669    HG3  GLU  90           HG3      GLU  90  20.414   7.601 -20.722
  670    H    VAL  91           H        VAL  91  18.448   6.321 -19.566
  671    HA   VAL  91           HA       VAL  91  17.187   6.511 -22.162
  672    HB   VAL  91           HB       VAL  91  17.608   4.031 -20.470
  673   HG11  VAL  91          HG11      VAL  91  17.489   2.814 -22.640
  674   HG12  VAL  91          HG12      VAL  91  15.957   3.582 -22.210
  675   HG13  VAL  91          HG13      VAL  91  17.009   4.320 -23.443
  676   HG21  VAL  91          HG21      VAL  91  19.346   5.216 -22.675
  677   HG22  VAL  91          HG22      VAL  91  19.762   5.112 -20.952
  678   HG23  VAL  91          HG23      VAL  91  19.593   3.634 -21.890
  679    H    ILE  92           H        ILE  92  16.027   5.661 -18.872
  680    HA   ILE  92           HA       ILE  92  13.328   4.953 -19.600
  681    HB   ILE  92           HB       ILE  92  14.217   6.305 -17.011
  682   HG12  ILE  92          HG12      ILE  92  14.313   3.321 -17.658
  683   HG13  ILE  92          HG13      ILE  92  15.716   4.370 -17.458
  684   HG21  ILE  92          HG21      ILE  92  11.981   4.295 -17.506
  685   HG22  ILE  92          HG22      ILE  92  12.307   5.196 -16.013
  686   HG23  ILE  92          HG23      ILE  92  11.738   6.055 -17.439
  687   HD11  ILE  92          HD11      ILE  92  13.759   3.551 -15.304
  688   HD12  ILE  92          HD12      ILE  92  15.502   3.254 -15.406
  689   HD13  ILE  92          HD13      ILE  92  14.911   4.896 -15.113
  690    H    ILE  93           H        ILE  93  14.709   8.105 -18.598
  691    HA   ILE  93           HA       ILE  93  12.287   9.575 -19.060
  692    HB   ILE  93           HB       ILE  93  15.193  10.396 -18.705
  693   HG12  ILE  93          HG12      ILE  93  12.736  10.736 -16.907
  694   HG13  ILE  93          HG13      ILE  93  13.826   9.360 -16.782
  695   HG21  ILE  93          HG21      ILE  93  14.357  12.747 -18.387
  696   HG22  ILE  93          HG22      ILE  93  14.171  12.180 -20.032
  697   HG23  ILE  93          HG23      ILE  93  12.752  12.223 -18.957
  698   HD11  ILE  93          HD11      ILE  93  14.407  10.912 -15.075
  699   HD12  ILE  93          HD12      ILE  93  15.713  10.929 -16.283
  700   HD13  ILE  93          HD13      ILE  93  14.531  12.259 -16.211
  701    H    SER  94           H        SER  94  15.121   9.022 -21.207
  702    HA   SER  94           HA       SER  94  14.123  10.574 -23.363
  703    HB2  SER  94           HB2      SER  94  16.424   9.611 -23.196
  704    HB3  SER  94           HB3      SER  94  15.746   8.005 -23.532
  705    HG   SER  94           HG       SER  94  16.571   9.099 -25.439
  706    H    SER  95           H        SER  95  13.484   7.168 -22.529
  707    HA   SER  95           HA       SER  95  11.705   6.594 -24.687
  708    HB2  SER  95           HB2      SER  95  12.779   4.906 -23.219
  709    HB3  SER  95           HB3      SER  95  11.725   5.412 -21.882
  710    HG   SER  95           HG       SER  95  11.018   3.537 -23.300
  711    H    ALA  96           H        ALA  96  11.043   7.912 -21.379
  712    HA   ALA  96           HA       ALA  96   8.235   8.153 -21.624
  713    HB1  ALA  96           HB1      ALA  96   9.743   8.434 -19.566
  714    HB2  ALA  96           HB2      ALA  96  10.132  10.053 -20.160
  715    HB3  ALA  96           HB3      ALA  96   8.459   9.637 -19.733
  716    H    LYS  97           H        LYS  97  10.815  10.535 -22.457
  717    HA   LYS  97           HA       LYS  97   9.090  12.543 -23.517
  718    HB2  LYS  97           HB2      LYS  97  12.018  11.848 -23.944
  719    HB3  LYS  97           HB3      LYS  97  11.262  13.269 -24.671
  720    HG2  LYS  97           HG2      LYS  97  10.757  14.240 -22.524
  721    HG3  LYS  97           HG3      LYS  97  11.250  12.776 -21.656
  722    HD2  LYS  97           HD2      LYS  97  13.548  13.026 -22.403
  723    HD3  LYS  97           HD3      LYS  97  13.109  14.402 -23.437
  724    HE2  LYS  97           HE2      LYS  97  12.394  15.684 -21.401
  725    HE3  LYS  97           HE3      LYS  97  12.928  14.342 -20.383
  726    HZ1  LYS  97           HZ1      LYS  97  15.211  14.700 -21.259
  727    HZ2  LYS  97           HZ2      LYS  97  14.690  15.941 -22.187
  728    HZ3  LYS  97           HZ3      LYS  97  14.646  16.066 -20.563
  729    H    GLU  98           H        GLU  98  10.677   9.803 -25.167
  730    HA   GLU  98           HA       GLU  98   9.723  10.463 -27.781
  731    HB2  GLU  98           HB2      GLU  98  10.631   7.854 -26.535
  732    HB3  GLU  98           HB3      GLU  98  10.029   7.940 -28.194
  733    HG2  GLU  98           HG2      GLU  98  11.734   9.673 -28.724
  734    HG3  GLU  98           HG3      GLU  98  12.434   9.471 -27.124
  735    H    MET  99           H        MET  99   8.258   8.549 -25.147
  736    HA   MET  99           HA       MET  99   5.963   7.776 -26.662
  737    HB2  MET  99           HB2      MET  99   6.536   7.806 -23.689
  738    HB3  MET  99           HB3      MET  99   5.040   7.176 -24.403
  739    HG2  MET  99           HG2      MET  99   7.783   6.217 -25.295
  740    HG3  MET  99           HG3      MET  99   6.949   5.478 -23.958
  741    HE1  MET  99           HE1      MET  99   5.452   3.599 -24.106
  742    HE2  MET  99           HE2      MET  99   4.159   4.778 -24.432
  743    HE3  MET  99           HE3      MET  99   4.284   3.304 -25.415
  744    H    VAL 100           H        VAL 100   6.474  10.538 -24.444
  745    HA   VAL 100           HA       VAL 100   3.932  11.686 -24.433
  746    HB   VAL 100           HB       VAL 100   6.596  13.101 -24.686
  747   HG11  VAL 100          HG11      VAL 100   5.422  15.164 -23.895
  748   HG12  VAL 100          HG12      VAL 100   4.934  14.718 -25.527
  749   HG13  VAL 100          HG13      VAL 100   3.862  14.366 -24.151
  750   HG21  VAL 100          HG21      VAL 100   6.316  13.529 -22.343
  751   HG22  VAL 100          HG22      VAL 100   4.653  12.890 -22.353
  752   HG23  VAL 100          HG23      VAL 100   6.027  11.798 -22.584
  753    H    GLY 101           H        GLY 101   2.537  12.481 -25.735
  754    HA2  GLY 101           HA2      GLY 101   1.685  13.666 -27.590
  755    HA3  GLY 101           HA3      GLY 101   3.197  13.391 -28.493
  756    H    GLN 102           H        GLN 102   2.764  10.366 -27.393
  757    HA   GLN 102           HA       GLN 102   1.307   9.547 -29.764
  758    HB2  GLN 102           HB2      GLN 102   2.760   7.888 -27.676
  759    HB3  GLN 102           HB3      GLN 102   2.015   7.277 -29.151
  760    HG2  GLN 102           HG2      GLN 102   3.565   8.764 -30.494
  761    HG3  GLN 102           HG3      GLN 102   4.370   9.221 -28.991
  762   HE21  GLN 102          HE22      GLN 102   6.375   8.150 -28.947
  763   HE22  GLN 102          HE21      GLN 102   6.552   6.452 -29.382
  764    H    LYS 103           H        LYS 103  -0.521   8.304 -29.799
  765    HA   LYS 103           HA       LYS 103  -2.239   8.324 -27.380
  766    HB2  LYS 103           HB2      LYS 103  -2.852   8.001 -30.339
  767    HB3  LYS 103           HB3      LYS 103  -4.041   7.700 -29.064
  768    HG2  LYS 103           HG2      LYS 103  -3.767  10.006 -28.217
  769    HG3  LYS 103           HG3      LYS 103  -2.593  10.351 -29.503
  770    HD2  LYS 103           HD2      LYS 103  -4.300   9.960 -31.220
  771    HD3  LYS 103           HD3      LYS 103  -5.470   9.453 -29.986
  772    HE2  LYS 103           HE2      LYS 103  -5.302  11.719 -28.926
  773    HE3  LYS 103           HE3      LYS 103  -4.195  12.225 -30.213
  774    HZ1  LYS 103           HZ1      LYS 103  -7.018  11.369 -30.597
  775    HZ2  LYS 103           HZ2      LYS 103  -6.477  12.907 -30.684
  776    HZ3  LYS 103           HZ3      LYS 103  -6.009  11.819 -31.814
  777    H    MET 104           H        MET 104  -3.378   6.525 -26.696
  778    HA   MET 104           HA       MET 104  -2.164   3.846 -27.336
  779    HB2  MET 104           HB2      MET 104  -2.758   4.948 -24.560
  780    HB3  MET 104           HB3      MET 104  -2.056   3.374 -24.926
  781    HG2  MET 104           HG2      MET 104  -0.732   6.056 -25.485
  782    HG3  MET 104           HG3      MET 104  -0.342   4.955 -24.171
  783    HE1  MET 104           HE1      MET 104   2.175   5.482 -25.147
  784    HE2  MET 104           HE2      MET 104   2.677   5.037 -26.793
  785    HE3  MET 104           HE3      MET 104   1.475   6.323 -26.541
  786    H    LYS 105           H        LYS 105  -3.429   2.083 -26.099
  787    HA   LYS 105           HA       LYS 105  -6.154   1.996 -26.988
  788    HB2  LYS 105           HB2      LYS 105  -4.596   0.270 -25.008
  789    HB3  LYS 105           HB3      LYS 105  -6.206  -0.121 -25.618
  790    HG2  LYS 105           HG2      LYS 105  -5.338  -0.165 -27.940
  791    HG3  LYS 105           HG3      LYS 105  -3.706   0.178 -27.341
  792    HD2  LYS 105           HD2      LYS 105  -3.781  -1.896 -25.968
  793    HD3  LYS 105           HD3      LYS 105  -5.380  -2.271 -26.612
  794    HE2  LYS 105           HE2      LYS 105  -2.845  -1.947 -28.300
  795    HE3  LYS 105           HE3      LYS 105  -3.435  -3.491 -27.693
  796    HZ1  LYS 105           HZ1      LYS 105  -5.487  -3.146 -28.979
  797    HZ2  LYS 105           HZ2      LYS 105  -4.907  -1.740 -29.595
  798    HZ3  LYS 105           HZ3      LYS 105  -4.179  -3.156 -29.948
  799    H    TYR 106           H        TYR 106  -8.019   1.510 -25.605
  800    HA   TYR 106           HA       TYR 106  -8.575   3.761 -23.895
  801    HB2  TYR 106           HB2      TYR 106 -10.220   1.234 -24.323
  802    HB3  TYR 106           HB3      TYR 106 -10.815   2.779 -23.766
  803    HD1  TYR 106           HD1      TYR 106 -10.661   4.813 -25.390
  804    HD2  TYR 106           HD2      TYR 106 -10.236   0.702 -26.638
  805    HE1  TYR 106           HE1      TYR 106 -11.246   5.453 -27.719
  806    HE2  TYR 106           HE2      TYR 106 -10.816   1.347 -28.964
  807    HH   TYR 106           HH       TYR 106 -11.401   3.073 -30.395
  808    H    SER 107           H        SER 107  -9.733   3.560 -21.794
  809    HA   SER 107           HA       SER 107  -9.281   1.171 -20.159
  810    HB2  SER 107           HB2      SER 107  -7.276   2.445 -19.599
  811    HB3  SER 107           HB3      SER 107  -8.260   3.881 -19.248
  812    HG   SER 107           HG       SER 107  -7.756   2.677 -17.320
  813    H    ILE 108           H        ILE 108 -10.945   0.853 -18.790
  814    HA   ILE 108           HA       ILE 108 -12.828   3.097 -18.136
  815    HB   ILE 108           HB       ILE 108 -13.920   1.722 -19.708
  816   HG12  ILE 108          HG12      ILE 108 -15.138   0.791 -17.098
  817   HG13  ILE 108          HG13      ILE 108 -15.143   2.488 -17.574
  818   HG21  ILE 108          HG21      ILE 108 -13.244  -0.723 -18.030
  819   HG22  ILE 108          HG22      ILE 108 -14.339  -0.710 -19.424
  820   HG23  ILE 108          HG23      ILE 108 -12.644  -0.335 -19.665
  821   HD11  ILE 108          HD11      ILE 108 -16.398   0.185 -19.131
  822   HD12  ILE 108          HD12      ILE 108 -17.241   1.441 -18.210
  823   HD13  ILE 108          HD13      ILE 108 -16.347   1.873 -19.674
  824    H    VAL 109           H        VAL 109 -10.515   2.788 -16.857
  825    HA   VAL 109           HA       VAL 109  -9.439   2.466 -14.913
  826    HB   VAL 109           HB       VAL 109 -12.027   1.741 -13.464
  827   HG11  VAL 109          HG11      VAL 109  -9.415   3.072 -12.577
  828   HG12  VAL 109          HG12      VAL 109 -10.834   2.799 -11.548
  829   HG13  VAL 109          HG13      VAL 109  -9.922   1.425 -12.167
  830   HG21  VAL 109          HG21      VAL 109 -10.912   4.525 -14.058
  831   HG22  VAL 109          HG22      VAL 109 -12.448   3.869 -14.655
  832   HG23  VAL 109          HG23      VAL 109 -12.238   4.159 -12.931
  833    H    SER 110           H        SER 110  -9.258   0.627 -16.750
  834    HA   SER 110           HA       SER 110  -9.637  -2.088 -15.539
  835    HB2  SER 110           HB2      SER 110  -9.929  -2.762 -17.945
  836    HB3  SER 110           HB3      SER 110 -11.136  -1.637 -17.339
  837    HG   SER 110           HG       SER 110  -9.116  -1.211 -19.238
  838    H    ARG 111           H        ARG 111  -7.207  -0.128 -15.691
  839    HA   ARG 111           HA       ARG 111  -4.963  -0.302 -15.522
  840    HB2  ARG 111           HB2      ARG 111  -5.055  -3.149 -16.597
  841    HB3  ARG 111           HB3      ARG 111  -3.651  -2.278 -16.022
  842    HG2  ARG 111           HG2      ARG 111  -4.724  -2.040 -13.761
  843    HG3  ARG 111           HG3      ARG 111  -6.095  -3.002 -14.342
  844    HD2  ARG 111           HD2      ARG 111  -4.582  -4.433 -13.087
  845    HD3  ARG 111           HD3      ARG 111  -4.548  -4.903 -14.802
  846    HE   ARG 111           HE       ARG 111  -2.493  -2.969 -14.332
  847   HH11  ARG 111          HH12      ARG 111  -3.032  -6.388 -13.511
  848   HH12  ARG 111          HH11      ARG 111  -1.319  -6.691 -13.464
  849   HH21  ARG 111          HH21      ARG 111  -0.501  -3.369 -14.261
  850   HH22  ARG 111          HH22      ARG 111   0.168  -4.959 -13.873
  851    H    ASN 112           H        ASN 112  -3.360   0.410 -16.772
  852    HA   ASN 112           HA       ASN 112  -2.963   0.241 -19.511
  853    HB2  ASN 112           HB2      ASN 112  -5.310   1.254 -19.664
  854    HB3  ASN 112           HB3      ASN 112  -4.682   2.694 -18.890
  855   HD21  ASN 112          HD22      ASN 112  -5.460   3.789 -20.857
  856   HD22  ASN 112          HD21      ASN 112  -4.632   3.578 -22.380
  857    H    CYS 113           H        CYS 113  -3.204   2.932 -17.078
  858    HA   CYS 113           HA       CYS 113  -0.845   4.233 -18.157
  859    HB2  CYS 113           HB2      CYS 113  -2.800   5.441 -17.268
  860    HB3  CYS 113           HB3      CYS 113  -2.471   4.825 -15.635
  861    HG   CYS 113           HG       CYS 113  -1.742   7.449 -16.294
  862    H    GLU 114           H        GLU 114  -1.298   2.194 -15.263
  863    HA   GLU 114           HA       GLU 114   1.380   2.582 -14.209
  864    HB2  GLU 114           HB2      GLU 114   0.894   0.136 -13.312
  865    HB3  GLU 114           HB3      GLU 114   0.297   1.578 -12.555
  866    HG2  GLU 114           HG2      GLU 114  -1.407  -0.159 -12.591
  867    HG3  GLU 114           HG3      GLU 114  -1.927   1.250 -13.502
  868    H    HIS 115           H        HIS 115  -0.108   0.115 -16.369
  869    HA   HIS 115           HA       HIS 115   2.257  -1.332 -16.896
  870    HB2  HIS 115           HB2      HIS 115  -0.279  -1.793 -17.374
  871    HB3  HIS 115           HB3      HIS 115   0.011  -0.977 -18.906
  872    HD1  HIS 115           HD1      HIS 115   2.230  -2.251 -20.347
  873    HD2  HIS 115           HD2      HIS 115   0.184  -4.313 -17.294
  874    HE1  HIS 115           HE1      HIS 115   2.725  -4.719 -20.693
  875    H    PHE 116           H        PHE 116   0.959   1.564 -18.562
  876    HA   PHE 116           HA       PHE 116   2.981   1.796 -20.545
  877    HB2  PHE 116           HB2      PHE 116   1.129   3.177 -20.874
  878    HB3  PHE 116           HB3      PHE 116   1.067   3.688 -19.199
  879    HD1  PHE 116           HD1      PHE 116   3.395   3.902 -22.143
  880    HD2  PHE 116           HD2      PHE 116   1.825   5.823 -18.621
  881    HE1  PHE 116           HE1      PHE 116   4.827   5.882 -22.568
  882    HE2  PHE 116           HE2      PHE 116   3.263   7.802 -19.056
  883    HZ   PHE 116           HZ       PHE 116   4.776   7.827 -21.028
  884    H    VAL 117           H        VAL 117   2.870   3.342 -17.225
  885    HA   VAL 117           HA       VAL 117   5.463   4.484 -17.719
  886    HB   VAL 117           HB       VAL 117   5.615   5.157 -15.394
  887   HG11  VAL 117          HG11      VAL 117   2.888   5.748 -16.586
  888   HG12  VAL 117          HG12      VAL 117   3.759   6.715 -15.392
  889   HG13  VAL 117          HG13      VAL 117   4.416   6.551 -17.028
  890   HG21  VAL 117          HG21      VAL 117   3.884   4.794 -13.776
  891   HG22  VAL 117          HG22      VAL 117   2.914   3.868 -14.930
  892   HG23  VAL 117          HG23      VAL 117   4.446   3.207 -14.317
  893    H    THR 118           H        THR 118   4.645   1.311 -16.286
  894    HA   THR 118           HA       THR 118   7.347   0.804 -15.321
  895    HB   THR 118           HB       THR 118   6.609  -1.584 -15.405
  896    HG1  THR 118           HG1      THR 118   4.449  -1.986 -15.867
  897   HG21  THR 118          HG21      THR 118   4.728   0.341 -13.959
  898   HG22  THR 118          HG22      THR 118   4.969  -1.374 -13.556
  899   HG23  THR 118          HG23      THR 118   6.303  -0.225 -13.352
  900    H    GLN 119           H        GLN 119   5.668   0.063 -18.386
  901    HA   GLN 119           HA       GLN 119   7.756  -1.363 -19.638
  902    HB2  GLN 119           HB2      GLN 119   5.528   0.393 -20.711
  903    HB3  GLN 119           HB3      GLN 119   6.751  -0.252 -21.799
  904    HG2  GLN 119           HG2      GLN 119   6.221  -2.549 -21.159
  905    HG3  GLN 119           HG3      GLN 119   5.036  -1.989 -19.980
  906   HE21  GLN 119          HE22      GLN 119   5.777  -1.991 -23.541
  907   HE22  GLN 119          HE21      GLN 119   4.094  -1.838 -24.011
  908    H    LEU 120           H        LEU 120   7.575   2.123 -19.043
  909    HA   LEU 120           HA       LEU 120   9.661   2.909 -20.864
  910    HB2  LEU 120           HB2      LEU 120   8.981   4.139 -18.160
  911    HB3  LEU 120           HB3      LEU 120   9.887   4.908 -19.452
  912    HG   LEU 120           HG       LEU 120   6.963   4.077 -19.649
  913   HD11  LEU 120          HD11      LEU 120   6.452   6.455 -19.484
  914   HD12  LEU 120          HD12      LEU 120   7.324   5.901 -18.046
  915   HD13  LEU 120          HD13      LEU 120   8.176   6.828 -19.302
  916   HD21  LEU 120          HD21      LEU 120   8.746   5.627 -21.568
  917   HD22  LEU 120          HD22      LEU 120   7.937   4.075 -21.879
  918   HD23  LEU 120          HD23      LEU 120   6.975   5.542 -21.691
  919    H    ARG 121           H        ARG 121   9.855   1.396 -17.680
  920    HA   ARG 121           HA       ARG 121  12.835   1.517 -17.674
  921    HB2  ARG 121           HB2      ARG 121  11.669   1.920 -15.557
  922    HB3  ARG 121           HB3      ARG 121  10.846   0.358 -15.668
  923    HG2  ARG 121           HG2      ARG 121  13.025  -0.823 -15.561
  924    HG3  ARG 121           HG3      ARG 121  13.876   0.733 -15.530
  925    HD2  ARG 121           HD2      ARG 121  12.921   1.275 -13.365
  926    HD3  ARG 121           HD3      ARG 121  11.890  -0.170 -13.402
  927    HE   ARG 121           HE       ARG 121  14.250  -1.373 -13.622
  928   HH11  ARG 121          HH11      ARG 121  13.324   1.153 -11.266
  929   HH12  ARG 121          HH12      ARG 121  14.503   0.537 -10.115
  930   HH21  ARG 121          HH21      ARG 121  15.788  -1.963 -12.029
  931   HH22  ARG 121          HH22      ARG 121  15.721  -1.114 -10.488
  932    H    TYR 122           H        TYR 122  10.249  -1.019 -17.598
  933    HA   TYR 122           HA       TYR 122  12.068  -3.201 -17.807
  934    HB2  TYR 122           HB2      TYR 122   9.829  -3.375 -16.880
  935    HB3  TYR 122           HB3      TYR 122   9.103  -2.945 -18.423
  936    HD1  TYR 122           HD1      TYR 122  11.324  -5.540 -16.832
  937    HD2  TYR 122           HD2      TYR 122   8.441  -4.653 -19.926
  938    HE1  TYR 122           HE1      TYR 122  11.266  -7.944 -17.476
  939    HE2  TYR 122           HE2      TYR 122   8.381  -7.051 -20.560
  940    HH   TYR 122           HH       TYR 122   9.189  -9.172 -20.137
  941    H    GLY 123           H        GLY 123  10.391  -1.400 -20.354
  942    HA2  GLY 123           HA2      GLY 123  11.712  -2.971 -22.538
  943    HA3  GLY 123           HA3      GLY 123  10.224  -2.002 -22.680
  944    H    LYS 124           H        LYS 124  13.202  -1.036 -20.996
  945    HA   LYS 124           HA       LYS 124  13.375   1.573 -21.762
  946    HB2  LYS 124           HB2      LYS 124  15.924   1.213 -21.581
  947    HB3  LYS 124           HB3      LYS 124  14.922   0.948 -20.154
  948    HG2  LYS 124           HG2      LYS 124  15.206  -1.380 -20.226
  949    HG3  LYS 124           HG3      LYS 124  15.738  -1.408 -21.904
  950    HD2  LYS 124           HD2      LYS 124  17.302  -0.141 -19.625
  951    HD3  LYS 124           HD3      LYS 124  17.539  -1.799 -20.157
  952    HE2  LYS 124           HE2      LYS 124  17.942   0.616 -21.998
  953    HE3  LYS 124           HE3      LYS 124  19.220  -0.081 -21.006
  954    HZ1  LYS 124           HZ1      LYS 124  18.915  -2.205 -22.187
  955    HZ2  LYS 124           HZ2      LYS 124  17.783  -1.543 -23.176
  956    HZ3  LYS 124           HZ3      LYS 124  19.319  -1.008 -23.214
  957    H    SER 125           H        SER 125  15.058  -0.958 -23.516
  958    HA   SER 125           HA       SER 125  16.557   0.383 -25.355
  959    HB2  SER 125           HB2      SER 125  15.111  -2.228 -25.917
  960    HB3  SER 125           HB3      SER 125  16.630  -1.661 -26.641
  961    HG   SER 125           HG       SER 125  16.938  -3.140 -24.842
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   9.146  22.677   9.194
    2    H2   MET   1           H2       MET   1   9.018  23.601   7.848
    3    H3   MET   1           H3       MET   1   8.456  24.157   9.280
    4    HA   MET   1           HA       MET   1   6.758  22.443   9.363
    5    HB2  MET   1           HB2      MET   1   6.264  24.669   8.302
    6    HB3  MET   1           HB3      MET   1   6.657  23.979   6.726
    7    HG2  MET   1           HG2      MET   1   4.789  22.358   6.980
    8    HG3  MET   1           HG3      MET   1   4.459  22.996   8.591
    9    HE1  MET   1           HE1      MET   1   4.066  23.437   4.749
   10    HE2  MET   1           HE2      MET   1   3.526  25.123   4.576
   11    HE3  MET   1           HE3      MET   1   5.200  24.775   5.050
   12    H    ALA   2           H        ALA   2   5.963  20.456   8.636
   13    HA   ALA   2           HA       ALA   2   7.685  18.836   6.945
   14    HB1  ALA   2           HB1      ALA   2   6.063  17.065   7.518
   15    HB2  ALA   2           HB2      ALA   2   6.553  17.968   8.962
   16    HB3  ALA   2           HB3      ALA   2   4.964  18.264   8.215
   17    H    SER   3           H        SER   3   6.964  17.581   5.080
   18    HA   SER   3           HA       SER   3   5.476  19.191   3.136
   19    HB2  SER   3           HB2      SER   3   6.175  17.335   1.580
   20    HB3  SER   3           HB3      SER   3   7.495  18.205   2.378
   21    HG   SER   3           HG       SER   3   7.770  15.880   2.399
   22    HA   PRO   4           HA       PRO   4   1.667  16.949   3.588
   23    HB2  PRO   4           HB2      PRO   4   0.364  17.477   1.268
   24    HB3  PRO   4           HB3      PRO   4   0.789  18.764   2.434
   25    HG2  PRO   4           HG2      PRO   4   2.319  17.950  -0.065
   26    HG3  PRO   4           HG3      PRO   4   1.817  19.597   0.432
   27    HD2  PRO   4           HD2      PRO   4   4.313  18.633   0.951
   28    HD3  PRO   4           HD3      PRO   4   3.460  19.709   2.100
   29    H    HIS   5           H        HIS   5   3.798  15.995   0.917
   30    HA   HIS   5           HA       HIS   5   2.733  13.254   0.907
   31    HB2  HIS   5           HB2      HIS   5   2.647  15.168  -1.454
   32    HB3  HIS   5           HB3      HIS   5   2.739  13.437  -1.701
   33    HD1  HIS   5           HD1      HIS   5   0.163  16.054  -1.198
   34    HD2  HIS   5           HD2      HIS   5   0.648  11.925  -0.573
   35    HE1  HIS   5           HE1      HIS   5  -2.181  15.075  -1.047
   36    H    GLN   6           H        GLN   6   4.097  11.836  -0.511
   37    HA   GLN   6           HA       GLN   6   6.886  12.100   0.179
   38    HB2  GLN   6           HB2      GLN   6   5.542   9.989   0.096
   39    HB3  GLN   6           HB3      GLN   6   5.400  10.176  -1.655
   40    HG2  GLN   6           HG2      GLN   6   7.883   9.925  -1.852
   41    HG3  GLN   6           HG3      GLN   6   7.984   9.736  -0.096
   42   HE21  GLN   6          HE22      GLN   6   8.916   7.523  -0.454
   43   HE22  GLN   6          HE21      GLN   6   7.826   6.230  -0.936
   44    H    GLU   7           H        GLU   7   8.544  13.023  -1.016
   45    HA   GLU   7           HA       GLU   7   7.839  14.301  -3.519
   46    HB2  GLU   7           HB2      GLU   7   9.073  15.453  -1.792
   47    HB3  GLU   7           HB3      GLU   7  10.446  14.347  -1.988
   48    HG2  GLU   7           HG2      GLU   7  10.729  15.127  -4.321
   49    HG3  GLU   7           HG3      GLU   7   9.327  16.188  -4.142
   50    HA   PRO   8           HA       PRO   8   9.891  11.095  -6.050
   51    HB2  PRO   8           HB2      PRO   8   9.089  11.901  -8.483
   52    HB3  PRO   8           HB3      PRO   8   7.904  11.286  -7.291
   53    HG2  PRO   8           HG2      PRO   8   8.608  14.190  -7.866
   54    HG3  PRO   8           HG3      PRO   8   6.977  13.454  -7.804
   55    HD2  PRO   8           HD2      PRO   8   8.122  14.755  -5.670
   56    HD3  PRO   8           HD3      PRO   8   7.023  13.358  -5.461
   57    H    LYS   9           H        LYS   9  11.666  10.915  -7.415
   58    HA   LYS   9           HA       LYS   9  13.106  13.350  -8.331
   59    HB2  LYS   9           HB2      LYS   9  14.168  10.885  -6.869
   60    HB3  LYS   9           HB3      LYS   9  15.241  11.985  -7.705
   61    HG2  LYS   9           HG2      LYS   9  13.441  12.724  -5.372
   62    HG3  LYS   9           HG3      LYS   9  15.181  12.451  -5.319
   63    HD2  LYS   9           HD2      LYS   9  15.525  14.398  -6.865
   64    HD3  LYS   9           HD3      LYS   9  13.781  14.713  -6.841
   65    HE2  LYS   9           HE2      LYS   9  13.879  14.872  -4.330
   66    HE3  LYS   9           HE3      LYS   9  15.636  14.700  -4.412
   67    HZ1  LYS   9           HZ1      LYS   9  14.953  17.024  -4.260
   68    HZ2  LYS   9           HZ2      LYS   9  15.714  16.781  -5.691
   69    HZ3  LYS   9           HZ3      LYS   9  14.074  16.919  -5.626
   70    HA   PRO  10           HA       PRO  10  13.550  12.023 -12.345
   71    HB2  PRO  10           HB2      PRO  10  16.525  11.545 -12.020
   72    HB3  PRO  10           HB3      PRO  10  15.659  12.339 -13.374
   73    HG2  PRO  10           HG2      PRO  10  16.778  13.872 -11.478
   74    HG3  PRO  10           HG3      PRO  10  15.098  14.228 -11.994
   75    HD2  PRO  10           HD2      PRO  10  16.050  12.705  -9.563
   76    HD3  PRO  10           HD3      PRO  10  14.783  13.969  -9.672
   77    H    GLY  11           H        GLY  11  12.798  10.233 -13.264
   78    HA2  GLY  11           HA2      GLY  11  12.833   8.043 -14.098
   79    HA3  GLY  11           HA3      GLY  11  14.154   7.617 -12.983
   80    H    ASP  12           H        ASP  12  11.950   9.064 -10.967
   81    HA   ASP  12           HA       ASP  12  11.140   6.557  -9.902
   82    HB2  ASP  12           HB2      ASP  12  10.344   9.401  -9.196
   83    HB3  ASP  12           HB3      ASP  12   9.801   7.977  -8.331
   84    H    LEU  13           H        LEU  13   9.140   5.677  -9.553
   85    HA   LEU  13           HA       LEU  13   6.988   6.314 -11.520
   86    HB2  LEU  13           HB2      LEU  13   7.456   3.934  -9.661
   87    HB3  LEU  13           HB3      LEU  13   6.071   4.090 -10.737
   88    HG   LEU  13           HG       LEU  13   8.975   3.932 -11.671
   89   HD11  LEU  13          HD11      LEU  13   8.397   1.640 -12.379
   90   HD12  LEU  13          HD12      LEU  13   8.230   1.822 -10.624
   91   HD13  LEU  13          HD13      LEU  13   6.782   1.807 -11.651
   92   HD21  LEU  13          HD21      LEU  13   7.444   5.132 -13.259
   93   HD22  LEU  13          HD22      LEU  13   7.988   3.572 -13.901
   94   HD23  LEU  13          HD23      LEU  13   6.351   3.739 -13.217
   95    H    ILE  14           H        ILE  14   5.151   7.264 -10.898
   96    HA   ILE  14           HA       ILE  14   4.610   7.585  -7.952
   97    HB   ILE  14           HB       ILE  14   3.729   9.492 -10.147
   98   HG12  ILE  14          HG12      ILE  14   6.211   9.741  -8.391
   99   HG13  ILE  14          HG13      ILE  14   6.186   9.565 -10.148
  100   HG21  ILE  14          HG21      ILE  14   2.478   9.427  -7.923
  101   HG22  ILE  14          HG22      ILE  14   3.983   9.935  -7.140
  102   HG23  ILE  14          HG23      ILE  14   3.169  10.986  -8.323
  103   HD11  ILE  14          HD11      ILE  14   6.579  11.868  -9.665
  104   HD12  ILE  14          HD12      ILE  14   4.943  11.733 -10.331
  105   HD13  ILE  14          HD13      ILE  14   5.194  11.962  -8.580
  106    H    GLU  15           H        GLU  15   2.673   6.935  -7.250
  107    HA   GLU  15           HA       GLU  15   0.530   6.115  -9.174
  108    HB2  GLU  15           HB2      GLU  15   1.393   4.307  -7.768
  109    HB3  GLU  15           HB3      GLU  15   1.102   5.254  -6.302
  110    HG2  GLU  15           HG2      GLU  15  -1.256   5.083  -6.515
  111    HG3  GLU  15           HG3      GLU  15  -1.161   4.562  -8.198
  112    H    ILE  16           H        ILE  16  -1.240   7.360  -9.187
  113    HA   ILE  16           HA       ILE  16  -1.590   9.444  -7.063
  114    HB   ILE  16           HB       ILE  16  -1.899   9.773 -10.070
  115   HG12  ILE  16          HG12      ILE  16   0.373  10.758  -8.295
  116   HG13  ILE  16          HG13      ILE  16   0.493   9.465  -9.491
  117   HG21  ILE  16          HG21      ILE  16  -3.371  11.248  -8.710
  118   HG22  ILE  16          HG22      ILE  16  -1.961  11.831  -7.812
  119   HG23  ILE  16          HG23      ILE  16  -2.144  12.186  -9.540
  120   HD11  ILE  16          HD11      ILE  16   0.044  12.390 -10.068
  121   HD12  ILE  16          HD12      ILE  16   1.458  11.404 -10.447
  122   HD13  ILE  16          HD13      ILE  16  -0.078  11.091 -11.288
  123    H    PHE  17           H        PHE  17  -3.487   9.462  -6.167
  124    HA   PHE  17           HA       PHE  17  -5.837   8.101  -7.365
  125    HB2  PHE  17           HB2      PHE  17  -5.468   9.377  -4.627
  126    HB3  PHE  17           HB3      PHE  17  -6.805   8.362  -5.145
  127    HD1  PHE  17           HD2      PHE  17  -6.300   5.897  -5.767
  128    HD2  PHE  17           HD1      PHE  17  -3.460   8.438  -3.740
  129    HE1  PHE  17           HE2      PHE  17  -5.004   3.899  -5.061
  130    HE2  PHE  17           HE1      PHE  17  -2.172   6.438  -3.038
  131    HZ   PHE  17           HZ       PHE  17  -2.939   4.165  -3.707
  132    H    ARG  18           H        ARG  18  -6.291   9.515  -9.046
  133    HA   ARG  18           HA       ARG  18  -6.860  12.369  -8.483
  134    HB2  ARG  18           HB2      ARG  18  -5.370  11.816 -10.330
  135    HB3  ARG  18           HB3      ARG  18  -6.600  10.821 -11.098
  136    HG2  ARG  18           HG2      ARG  18  -7.931  12.695 -11.691
  137    HG3  ARG  18           HG3      ARG  18  -7.096  13.767 -10.561
  138    HD2  ARG  18           HD2      ARG  18  -5.007  13.557 -11.929
  139    HD3  ARG  18           HD3      ARG  18  -5.888  12.540 -13.069
  140    HE   ARG  18           HE       ARG  18  -7.021  14.379 -13.902
  141   HH11  ARG  18          HH11      ARG  18  -5.129  15.509 -11.098
  142   HH12  ARG  18          HH12      ARG  18  -5.543  17.165 -11.389
  143   HH21  ARG  18          HH21      ARG  18  -7.434  16.552 -14.242
  144   HH22  ARG  18          HH22      ARG  18  -6.761  17.750 -13.183
  145    H    LEU  19           H        LEU  19  -8.850  13.348  -9.178
  146    HA   LEU  19           HA       LEU  19 -11.172  12.012  -8.305
  147    HB2  LEU  19           HB2      LEU  19 -10.877  14.454  -8.303
  148    HB3  LEU  19           HB3      LEU  19 -10.846  14.475 -10.067
  149    HG   LEU  19           HG       LEU  19 -13.212  13.718 -10.130
  150   HD11  LEU  19          HD11      LEU  19 -14.569  13.789  -8.038
  151   HD12  LEU  19          HD12      LEU  19 -13.386  12.480  -8.013
  152   HD13  LEU  19          HD13      LEU  19 -13.081  13.968  -7.085
  153   HD21  LEU  19          HD21      LEU  19 -12.638  16.125 -10.167
  154   HD22  LEU  19          HD22      LEU  19 -14.189  15.835  -9.355
  155   HD23  LEU  19          HD23      LEU  19 -12.733  16.178  -8.393
  156    H    GLY  20           H        GLY  20 -12.271  10.412  -9.194
  157    HA2  GLY  20           HA2      GLY  20 -13.694   9.406 -10.724
  158    HA3  GLY  20           HA3      GLY  20 -13.085  10.461 -12.019
  159    H    TYR  21           H        TYR  21 -10.257   9.277 -10.857
  160    HA   TYR  21           HA       TYR  21 -10.229   6.576 -11.763
  161    HB2  TYR  21           HB2      TYR  21  -8.904   6.876 -13.842
  162    HB3  TYR  21           HB3      TYR  21 -10.560   7.404 -13.990
  163    HD1  TYR  21           HD1      TYR  21  -7.029   8.569 -13.738
  164    HD2  TYR  21           HD2      TYR  21 -11.111   9.702 -14.501
  165    HE1  TYR  21           HE1      TYR  21  -6.247  10.754 -14.636
  166    HE2  TYR  21           HE2      TYR  21 -10.340  11.885 -15.405
  167    HH   TYR  21           HH       TYR  21  -8.526  13.211 -15.924
  168    H    GLU  22           H        GLU  22  -8.376   5.487 -11.285
  169    HA   GLU  22           HA       GLU  22  -6.205   6.753  -9.871
  170    HB2  GLU  22           HB2      GLU  22  -6.101   4.059 -11.256
  171    HB3  GLU  22           HB3      GLU  22  -5.163   4.632  -9.873
  172    HG2  GLU  22           HG2      GLU  22  -6.626   3.311  -8.754
  173    HG3  GLU  22           HG3      GLU  22  -7.606   4.772  -8.747
  174    H    HIS  23           H        HIS  23  -4.099   7.266 -10.595
  175    HA   HIS  23           HA       HIS  23  -3.550   7.232 -13.526
  176    HB2  HIS  23           HB2      HIS  23  -4.779   9.300 -12.878
  177    HB3  HIS  23           HB3      HIS  23  -3.570   9.644 -11.656
  178    HD1  HIS  23           HD1      HIS  23  -2.020  11.522 -12.496
  179    HD2  HIS  23           HD2      HIS  23  -3.489   9.039 -15.559
  180    HE1  HIS  23           HE1      HIS  23  -1.083  12.432 -14.677
  181    H    TRP  24           H        TRP  24  -1.259   7.564 -14.044
  182    HA   TRP  24           HA       TRP  24   0.648   7.245 -11.792
  183    HB2  TRP  24           HB2      TRP  24   0.326   5.253 -14.068
  184    HB3  TRP  24           HB3      TRP  24   1.757   5.373 -13.060
  185    HD1  TRP  24           HD1      TRP  24   1.770   4.281 -10.741
  186    HE1  TRP  24           HE1      TRP  24   0.117   2.785  -9.410
  187    HE3  TRP  24           HE3      TRP  24  -2.387   4.835 -13.658
  188    HZ2  TRP  24           HZ2      TRP  24  -2.583   1.877  -9.666
  189    HZ3  TRP  24           HZ3      TRP  24  -4.475   3.616 -13.127
  190    HH2  TRP  24           HH2      TRP  24  -4.588   2.164 -11.116
  191    H    ALA  25           H        ALA  25   2.763   7.811 -12.239
  192    HA   ALA  25           HA       ALA  25   3.320   9.084 -14.884
  193    HB1  ALA  25           HB1      ALA  25   3.504  10.559 -12.217
  194    HB2  ALA  25           HB2      ALA  25   3.831  11.208 -13.843
  195    HB3  ALA  25           HB3      ALA  25   2.183  10.753 -13.391
  196    H    LEU  26           H        LEU  26   5.377   9.435 -15.405
  197    HA   LEU  26           HA       LEU  26   7.588   8.278 -13.773
  198    HB2  LEU  26           HB2      LEU  26   6.984   7.581 -16.227
  199    HB3  LEU  26           HB3      LEU  26   7.576   9.148 -16.712
  200    HG   LEU  26           HG       LEU  26   9.248   7.522 -17.144
  201   HD11  LEU  26          HD11      LEU  26  11.192   8.323 -16.007
  202   HD12  LEU  26          HD12      LEU  26  10.084   9.689 -16.209
  203   HD13  LEU  26          HD13      LEU  26  10.246   8.895 -14.622
  204   HD21  LEU  26          HD21      LEU  26   8.448   5.767 -15.572
  205   HD22  LEU  26          HD22      LEU  26  10.192   6.011 -15.449
  206   HD23  LEU  26          HD23      LEU  26   9.129   6.687 -14.205
  207    H    TYR  27           H        TYR  27   8.729   9.829 -12.620
  208    HA   TYR  27           HA       TYR  27   8.386  12.685 -13.282
  209    HB2  TYR  27           HB2      TYR  27   8.328  11.826 -10.965
  210    HB3  TYR  27           HB3      TYR  27  10.000  11.326 -11.104
  211    HD1  TYR  27           HD1      TYR  27  11.802  13.008 -11.274
  212    HD2  TYR  27           HD2      TYR  27   7.725  14.182 -10.604
  213    HE1  TYR  27           HE1      TYR  27  12.589  15.166 -10.302
  214    HE2  TYR  27           HE2      TYR  27   8.499  16.390  -9.754
  215    HH   TYR  27           HH       TYR  27  10.336  17.660  -9.090
  216    H    ILE  28           H        ILE  28   9.797  14.036 -14.264
  217    HA   ILE  28           HA       ILE  28  12.270  12.716 -15.365
  218    HB   ILE  28           HB       ILE  28  11.983  13.937 -17.383
  219   HG12  ILE  28          HG12      ILE  28   9.379  15.133 -16.364
  220   HG13  ILE  28          HG13      ILE  28  10.911  16.013 -16.356
  221   HG21  ILE  28          HG21      ILE  28  10.716  11.762 -16.970
  222   HG22  ILE  28          HG22      ILE  28   9.262  12.731 -16.700
  223   HG23  ILE  28          HG23      ILE  28  10.088  12.763 -18.269
  224   HD11  ILE  28          HD11      ILE  28  11.106  15.663 -18.818
  225   HD12  ILE  28          HD12      ILE  28   9.500  14.900 -18.815
  226   HD13  ILE  28          HD13      ILE  28   9.670  16.604 -18.354
  227    H    GLY  29           H        GLY  29  11.658  14.970 -13.083
  228    HA2  GLY  29           HA2      GLY  29  13.388  16.241 -11.989
  229    HA3  GLY  29           HA3      GLY  29  14.294  16.334 -13.504
  230    H    ASP  30           H        ASP  30  14.057  18.557 -12.128
  231    HA   ASP  30           HA       ASP  30  13.533  20.739 -12.177
  232    HB2  ASP  30           HB2      ASP  30  14.192  20.243 -14.572
  233    HB3  ASP  30           HB3      ASP  30  12.476  20.250 -14.980
  234    H    GLY  31           H        GLY  31  11.315  18.770 -11.406
  235    HA2  GLY  31           HA2      GLY  31   9.257  19.172 -10.319
  236    HA3  GLY  31           HA3      GLY  31   9.097  20.721 -11.162
  237    H    TYR  32           H        TYR  32   9.853  18.363 -13.485
  238    HA   TYR  32           HA       TYR  32   6.996  18.300 -14.297
  239    HB2  TYR  32           HB2      TYR  32   9.605  18.150 -15.819
  240    HB3  TYR  32           HB3      TYR  32   8.087  17.669 -16.554
  241    HD1  TYR  32           HD1      TYR  32   9.957  20.543 -15.156
  242    HD2  TYR  32           HD2      TYR  32   6.373  19.252 -17.169
  243    HE1  TYR  32           HE1      TYR  32   9.400  22.907 -15.667
  244    HE2  TYR  32           HE2      TYR  32   5.811  21.621 -17.696
  245    HH   TYR  32           HH       TYR  32   7.898  24.359 -16.664
  246    H    VAL  33           H        VAL  33   6.008  16.554 -15.275
  247    HA   VAL  33           HA       VAL  33   7.191  13.839 -14.852
  248    HB   VAL  33           HB       VAL  33   4.900  13.027 -14.278
  249   HG11  VAL  33          HG11      VAL  33   6.511  13.262 -12.488
  250   HG12  VAL  33          HG12      VAL  33   6.066  14.972 -12.264
  251   HG13  VAL  33          HG13      VAL  33   4.897  13.677 -11.924
  252   HG21  VAL  33          HG21      VAL  33   3.184  14.494 -13.430
  253   HG22  VAL  33          HG22      VAL  33   4.195  15.926 -13.685
  254   HG23  VAL  33          HG23      VAL  33   3.575  15.010 -15.077
  255    H    ILE  34           H        ILE  34   6.425  12.234 -16.228
  256    HA   ILE  34           HA       ILE  34   4.696  13.089 -18.529
  257    HB   ILE  34           HB       ILE  34   7.132  11.275 -18.537
  258   HG12  ILE  34          HG12      ILE  34   6.261  13.711 -20.175
  259   HG13  ILE  34          HG13      ILE  34   7.441  13.720 -18.872
  260   HG21  ILE  34          HG21      ILE  34   4.995  11.530 -20.726
  261   HG22  ILE  34          HG22      ILE  34   6.525  10.652 -20.885
  262   HG23  ILE  34          HG23      ILE  34   5.314  10.071 -19.758
  263   HD11  ILE  34          HD11      ILE  34   7.766  12.402 -21.596
  264   HD12  ILE  34          HD12      ILE  34   8.600  13.824 -20.972
  265   HD13  ILE  34          HD13      ILE  34   8.926  12.235 -20.255
  266    H    HIS  35           H        HIS  35   2.950  11.743 -18.958
  267    HA   HIS  35           HA       HIS  35   2.405   9.430 -17.202
  268    HB2  HIS  35           HB2      HIS  35   0.505  10.571 -16.128
  269    HB3  HIS  35           HB3      HIS  35   2.005  11.402 -15.760
  270    HD1  HIS  35           HD1      HIS  35  -1.373  12.082 -17.201
  271    HD2  HIS  35           HD2      HIS  35   2.460  13.809 -17.134
  272    HE1  HIS  35           HE1      HIS  35  -1.638  14.490 -18.032
  273    H    LEU  36           H        LEU  36  -0.113   8.847 -17.639
  274    HA   LEU  36           HA       LEU  36  -0.721   9.412 -20.506
  275    HB2  LEU  36           HB2      LEU  36   0.413   7.190 -20.050
  276    HB3  LEU  36           HB3      LEU  36  -1.042   6.678 -19.201
  277    HG   LEU  36           HG       LEU  36  -0.822   7.509 -22.138
  278   HD11  LEU  36          HD11      LEU  36   0.339   5.406 -21.700
  279   HD12  LEU  36          HD12      LEU  36  -1.073   4.768 -20.825
  280   HD13  LEU  36          HD13      LEU  36  -1.161   5.077 -22.570
  281   HD21  LEU  36          HD21      LEU  36  -3.047   6.410 -22.405
  282   HD22  LEU  36          HD22      LEU  36  -3.193   6.316 -20.641
  283   HD23  LEU  36          HD23      LEU  36  -3.124   7.891 -21.464
  284    H    ALA  37           H        ALA  37  -2.752  10.216 -20.770
  285    HA   ALA  37           HA       ALA  37  -4.400  10.468 -18.304
  286    HB1  ALA  37           HB1      ALA  37  -3.705  12.529 -19.420
  287    HB2  ALA  37           HB2      ALA  37  -4.420  11.974 -20.957
  288    HB3  ALA  37           HB3      ALA  37  -5.464  12.313 -19.559
  289    HA   PRO  38           HA       PRO  38  -7.274   7.500 -20.224
  290    HB2  PRO  38           HB2      PRO  38  -8.979   8.519 -17.938
  291    HB3  PRO  38           HB3      PRO  38  -8.754   6.835 -18.517
  292    HG2  PRO  38           HG2      PRO  38  -7.459   7.682 -16.308
  293    HG3  PRO  38           HG3      PRO  38  -6.565   6.721 -17.533
  294    HD2  PRO  38           HD2      PRO  38  -6.605   9.742 -17.192
  295    HD3  PRO  38           HD3      PRO  38  -5.205   8.642 -17.395
  296    HA   PRO  39           HA       PRO  39  -9.683  10.163 -22.746
  297    HB2  PRO  39           HB2      PRO  39 -12.101   8.421 -22.327
  298    HB3  PRO  39           HB3      PRO  39 -11.353   8.985 -23.854
  299    HG2  PRO  39           HG2      PRO  39 -10.988   6.455 -22.950
  300    HG3  PRO  39           HG3      PRO  39  -9.645   7.357 -23.716
  301    HD2  PRO  39           HD2      PRO  39 -10.145   6.868 -20.779
  302    HD3  PRO  39           HD3      PRO  39  -8.613   6.878 -21.697
  303    H    SER  40           H        SER  40 -11.354   9.328 -19.724
  304    HA   SER  40           HA       SER  40 -12.573  10.516 -18.212
  305    HB2  SER  40           HB2      SER  40 -11.949  13.013 -19.825
  306    HB3  SER  40           HB3      SER  40 -12.598  12.930 -18.186
  307    HG   SER  40           HG       SER  40 -10.057  11.927 -19.023
  308    H    GLU  41           H        GLU  41 -13.444  10.787 -21.540
  309    HA   GLU  41           HA       GLU  41 -16.337  10.674 -20.826
  310    HB2  GLU  41           HB2      GLU  41 -15.108  12.209 -23.162
  311    HB3  GLU  41           HB3      GLU  41 -16.824  11.833 -22.983
  312    HG2  GLU  41           HG2      GLU  41 -16.863  13.108 -20.830
  313    HG3  GLU  41           HG3      GLU  41 -15.174  13.552 -21.086
  314    H    TYR  42           H        TYR  42 -17.286   8.913 -21.705
  315    HA   TYR  42           HA       TYR  42 -15.666   7.191 -23.555
  316    HB2  TYR  42           HB2      TYR  42 -17.327   6.450 -21.098
  317    HB3  TYR  42           HB3      TYR  42 -16.485   5.300 -22.118
  318    HD1  TYR  42           HD1      TYR  42 -13.975   5.244 -22.185
  319    HD2  TYR  42           HD2      TYR  42 -16.144   7.737 -19.409
  320    HE1  TYR  42           HE1      TYR  42 -11.930   5.482 -20.798
  321    HE2  TYR  42           HE2      TYR  42 -14.096   8.008 -18.040
  322    HH   TYR  42           HH       TYR  42 -11.876   7.411 -17.764
  323    HA   PRO  43           HA       PRO  43 -19.258   6.685 -26.042
  324    HB2  PRO  43           HB2      PRO  43 -18.860   4.326 -27.302
  325    HB3  PRO  43           HB3      PRO  43 -17.718   5.697 -27.481
  326    HG2  PRO  43           HG2      PRO  43 -17.483   3.354 -25.562
  327    HG3  PRO  43           HG3      PRO  43 -16.267   3.922 -26.751
  328    HD2  PRO  43           HD2      PRO  43 -16.200   4.718 -24.163
  329    HD3  PRO  43           HD3      PRO  43 -15.792   5.859 -25.472
  330    H    GLY  44           H        GLY  44 -21.184   5.461 -26.507
  331    HA2  GLY  44           HA2      GLY  44 -22.317   3.930 -24.218
  332    HA3  GLY  44           HA3      GLY  44 -23.185   4.577 -25.622
  333    H    ALA  45           H        ALA  45 -23.726   3.180 -27.190
  334    HA   ALA  45           HA       ALA  45 -23.103   0.384 -27.054
  335    HB1  ALA  45           HB1      ALA  45 -25.232   1.348 -27.906
  336    HB2  ALA  45           HB2      ALA  45 -24.362   2.004 -29.315
  337    HB3  ALA  45           HB3      ALA  45 -24.479   0.251 -29.070
  338    H    GLY  46           H        GLY  46 -21.265   2.934 -28.479
  339    HA2  GLY  46           HA2      GLY  46 -19.067   2.757 -29.273
  340    HA3  GLY  46           HA3      GLY  46 -19.243   0.994 -29.366
  341    H    SER  47           H        SER  47 -18.842   0.371 -31.416
  342    HA   SER  47           HA       SER  47 -18.962   2.066 -33.703
  343    HB2  SER  47           HB2      SER  47 -18.632  -0.076 -34.952
  344    HB3  SER  47           HB3      SER  47 -17.482   0.192 -33.635
  345    HG   SER  47           HG       SER  47 -18.334  -1.984 -33.662
  346    H    SER  48           H        SER  48 -21.511   0.061 -32.279
  347    HA   SER  48           HA       SER  48 -23.287   0.039 -34.524
  348    HB2  SER  48           HB2      SER  48 -23.937  -0.010 -31.551
  349    HB3  SER  48           HB3      SER  48 -25.026  -0.469 -32.870
  350    HG   SER  48           HG       SER  48 -23.996  -2.321 -31.939
  351    H    SER  49           H        SER  49 -22.824   2.517 -31.950
  352    HA   SER  49           HA       SER  49 -24.973   4.217 -33.162
  353    HB2  SER  49           HB2      SER  49 -24.768   5.467 -31.068
  354    HB3  SER  49           HB3      SER  49 -25.089   3.752 -30.758
  355    HG   SER  49           HG       SER  49 -23.372   4.600 -29.418
  356    H    VAL  50           H        VAL  50 -21.526   4.075 -32.693
  357    HA   VAL  50           HA       VAL  50 -19.791   5.288 -33.069
  358    HB   VAL  50           HB       VAL  50 -19.429   6.738 -34.897
  359   HG11  VAL  50          HG11      VAL  50 -21.198   4.431 -35.765
  360   HG12  VAL  50          HG12      VAL  50 -19.924   5.228 -36.710
  361   HG13  VAL  50          HG13      VAL  50 -19.497   4.309 -35.257
  362   HG21  VAL  50          HG21      VAL  50 -20.996   7.529 -36.481
  363   HG22  VAL  50          HG22      VAL  50 -22.341   6.667 -35.730
  364   HG23  VAL  50          HG23      VAL  50 -21.590   8.053 -34.904
  365    H    PHE  51           H        PHE  51 -21.853   6.205 -31.089
  366    HA   PHE  51           HA       PHE  51 -21.392   9.034 -30.670
  367    HB2  PHE  51           HB2      PHE  51 -22.130   6.847 -28.693
  368    HB3  PHE  51           HB3      PHE  51 -22.227   8.576 -28.400
  369    HD1  PHE  51           HD2      PHE  51 -23.471   8.866 -31.506
  370    HD2  PHE  51           HD1      PHE  51 -24.461   6.801 -27.844
  371    HE1  PHE  51           HE2      PHE  51 -25.846   8.838 -32.160
  372    HE2  PHE  51           HE1      PHE  51 -26.848   6.778 -28.512
  373    HZ   PHE  51           HZ       PHE  51 -27.548   7.800 -30.670
  374    H    SER  52           H        SER  52 -19.555   9.955 -30.101
  375    HA   SER  52           HA       SER  52 -17.616  10.523 -29.071
  376    HB2  SER  52           HB2      SER  52 -18.213   8.260 -27.141
  377    HB3  SER  52           HB3      SER  52 -17.117   9.621 -26.877
  378    HG   SER  52           HG       SER  52 -19.192  10.026 -25.924
  379    H    VAL  53           H        VAL  53 -17.720   7.084 -29.919
  380    HA   VAL  53           HA       VAL  53 -14.983   6.473 -29.678
  381    HB   VAL  53           HB       VAL  53 -15.239   4.765 -31.428
  382   HG11  VAL  53          HG11      VAL  53 -17.697   4.798 -29.655
  383   HG12  VAL  53          HG12      VAL  53 -16.866   3.390 -30.337
  384   HG13  VAL  53          HG13      VAL  53 -16.055   4.372 -29.103
  385   HG21  VAL  53          HG21      VAL  53 -18.003   5.949 -31.908
  386   HG22  VAL  53          HG22      VAL  53 -16.660   5.899 -33.071
  387   HG23  VAL  53          HG23      VAL  53 -17.426   4.398 -32.546
  388    H    LEU  54           H        LEU  54 -16.440   8.575 -32.035
  389    HA   LEU  54           HA       LEU  54 -14.187   8.562 -33.915
  390    HB2  LEU  54           HB2      LEU  54 -16.588  10.425 -33.657
  391    HB3  LEU  54           HB3      LEU  54 -15.493  10.331 -35.029
  392    HG   LEU  54           HG       LEU  54 -17.415   8.138 -34.133
  393   HD11  LEU  54          HD11      LEU  54 -18.535  10.074 -35.146
  394   HD12  LEU  54          HD12      LEU  54 -17.441   9.996 -36.549
  395   HD13  LEU  54          HD13      LEU  54 -18.590   8.680 -36.238
  396   HD21  LEU  54          HD21      LEU  54 -15.521   8.218 -36.524
  397   HD22  LEU  54          HD22      LEU  54 -15.432   7.102 -35.141
  398   HD23  LEU  54          HD23      LEU  54 -16.795   7.007 -36.261
  399    H    SER  55           H        SER  55 -14.454   9.869 -30.846
  400    HA   SER  55           HA       SER  55 -12.570  12.123 -31.485
  401    HB2  SER  55           HB2      SER  55 -14.908  12.922 -31.258
  402    HB3  SER  55           HB3      SER  55 -14.962  12.252 -29.616
  403    HG   SER  55           HG       SER  55 -14.409  14.525 -29.672
  404    H    ASN  56           H        ASN  56 -13.904  10.126 -28.736
  405    HA   ASN  56           HA       ASN  56 -11.864  11.103 -26.991
  406    HB2  ASN  56           HB2      ASN  56 -12.862   9.997 -25.302
  407    HB3  ASN  56           HB3      ASN  56 -14.222  10.211 -26.391
  408   HD21  ASN  56          HD22      ASN  56 -14.770   8.191 -27.799
  409   HD22  ASN  56          HD21      ASN  56 -14.461   6.636 -27.026
  410    H    SER  57           H        SER  57 -10.040  10.176 -26.069
  411    HA   SER  57           HA       SER  57  -9.085   7.527 -26.732
  412    HB2  SER  57           HB2      SER  57  -7.027   8.326 -27.944
  413    HB3  SER  57           HB3      SER  57  -8.517   8.478 -28.872
  414    HG   SER  57           HG       SER  57  -8.569  10.703 -28.388
  415    H    ALA  58           H        ALA  58  -7.010   7.007 -25.698
  416    HA   ALA  58           HA       ALA  58  -6.327   8.748 -23.359
  417    HB1  ALA  58           HB1      ALA  58  -6.887   6.264 -23.077
  418    HB2  ALA  58           HB2      ALA  58  -5.402   5.910 -23.988
  419    HB3  ALA  58           HB3      ALA  58  -5.329   6.788 -22.441
  420    H    GLU  59           H        GLU  59  -4.143   9.396 -23.052
  421    HA   GLU  59           HA       GLU  59  -2.369   9.294 -25.442
  422    HB2  GLU  59           HB2      GLU  59  -4.096  11.156 -25.639
  423    HB3  GLU  59           HB3      GLU  59  -3.335  11.908 -24.225
  424    HG2  GLU  59           HG2      GLU  59  -1.186  12.045 -25.484
  425    HG3  GLU  59           HG3      GLU  59  -1.953  11.255 -26.871
  426    H    VAL  60           H        VAL  60  -0.216   9.558 -24.985
  427    HA   VAL  60           HA       VAL  60   0.608   9.777 -22.160
  428    HB   VAL  60           HB       VAL  60   2.390   9.699 -24.599
  429   HG11  VAL  60          HG11      VAL  60   2.965   9.064 -21.666
  430   HG12  VAL  60          HG12      VAL  60   4.149   9.041 -23.002
  431   HG13  VAL  60          HG13      VAL  60   3.443  10.557 -22.461
  432   HG21  VAL  60          HG21      VAL  60   1.079   7.602 -24.531
  433   HG22  VAL  60          HG22      VAL  60   2.764   7.305 -24.099
  434   HG23  VAL  60          HG23      VAL  60   1.526   7.373 -22.826
  435    H    LYS  61           H        LYS  61   1.083  11.671 -21.212
  436    HA   LYS  61           HA       LYS  61   1.513  14.161 -22.835
  437    HB2  LYS  61           HB2      LYS  61  -0.460  13.626 -20.576
  438    HB3  LYS  61           HB3      LYS  61  -0.014  15.258 -21.086
  439    HG2  LYS  61           HG2      LYS  61  -0.830  14.788 -23.375
  440    HG3  LYS  61           HG3      LYS  61  -1.330  13.161 -22.875
  441    HD2  LYS  61           HD2      LYS  61  -2.861  14.081 -21.221
  442    HD3  LYS  61           HD3      LYS  61  -2.343  15.731 -21.563
  443    HE2  LYS  61           HE2      LYS  61  -3.857  13.872 -23.460
  444    HE3  LYS  61           HE3      LYS  61  -4.539  15.200 -22.532
  445    HZ1  LYS  61           HZ1      LYS  61  -2.967  16.692 -23.819
  446    HZ2  LYS  61           HZ2      LYS  61  -2.654  15.402 -24.814
  447    HZ3  LYS  61           HZ3      LYS  61  -4.159  16.012 -24.700
  448    H    ARG  62           H        ARG  62   2.482  15.939 -21.694
  449    HA   ARG  62           HA       ARG  62   4.130  15.247 -19.279
  450    HB2  ARG  62           HB2      ARG  62   5.391  15.821 -21.420
  451    HB3  ARG  62           HB3      ARG  62   4.659  17.420 -21.354
  452    HG2  ARG  62           HG2      ARG  62   5.762  17.617 -19.004
  453    HG3  ARG  62           HG3      ARG  62   6.647  16.154 -19.420
  454    HD2  ARG  62           HD2      ARG  62   6.722  18.840 -20.861
  455    HD3  ARG  62           HD3      ARG  62   7.979  18.166 -19.848
  456    HE   ARG  62           HE       ARG  62   8.496  16.515 -21.486
  457   HH11  ARG  62          HH11      ARG  62   6.277  18.977 -22.764
  458   HH12  ARG  62          HH12      ARG  62   6.688  18.615 -24.408
  459   HH21  ARG  62          HH21      ARG  62   9.015  16.156 -23.648
  460   HH22  ARG  62          HH22      ARG  62   8.218  17.058 -24.895
  461    H    GLU  63           H        GLU  63   3.962  16.614 -17.501
  462    HA   GLU  63           HA       GLU  63   3.174  19.365 -17.699
  463    HB2  GLU  63           HB2      GLU  63   1.039  17.452 -17.038
  464    HB3  GLU  63           HB3      GLU  63   1.291  18.586 -15.731
  465    HG2  GLU  63           HG2      GLU  63   0.772  19.435 -18.598
  466    HG3  GLU  63           HG3      GLU  63  -0.447  19.272 -17.352
  467    H    ARG  64           H        ARG  64   2.926  20.229 -15.340
  468    HA   ARG  64           HA       ARG  64   5.336  19.583 -13.845
  469    HB2  ARG  64           HB2      ARG  64   2.953  21.372 -13.269
  470    HB3  ARG  64           HB3      ARG  64   4.404  21.327 -12.274
  471    HG2  ARG  64           HG2      ARG  64   5.732  22.406 -13.843
  472    HG3  ARG  64           HG3      ARG  64   4.766  21.891 -15.221
  473    HD2  ARG  64           HD2      ARG  64   3.790  23.912 -13.173
  474    HD3  ARG  64           HD3      ARG  64   4.577  24.330 -14.708
  475    HE   ARG  64           HE       ARG  64   2.545  22.613 -15.479
  476   HH11  ARG  64          HH11      ARG  64   2.451  25.703 -13.728
  477   HH12  ARG  64          HH12      ARG  64   0.843  26.036 -14.294
  478   HH21  ARG  64          HH21      ARG  64   0.627  23.080 -16.183
  479   HH22  ARG  64          HH22      ARG  64  -0.214  24.538 -15.678
  480    H    LEU  65           H        LEU  65   5.499  18.518 -11.901
  481    HA   LEU  65           HA       LEU  65   3.790  16.433 -11.060
  482    HB2  LEU  65           HB2      LEU  65   6.133  16.730 -10.454
  483    HB3  LEU  65           HB3      LEU  65   5.759  18.108  -9.451
  484    HG   LEU  65           HG       LEU  65   6.203  15.962  -8.302
  485   HD11  LEU  65          HD11      LEU  65   3.421  16.948  -7.599
  486   HD12  LEU  65          HD12      LEU  65   4.615  16.188  -6.538
  487   HD13  LEU  65          HD13      LEU  65   4.924  17.807  -7.182
  488   HD21  LEU  65          HD21      LEU  65   5.111  14.378  -9.751
  489   HD22  LEU  65          HD22      LEU  65   4.501  14.228  -8.092
  490   HD23  LEU  65          HD23      LEU  65   3.512  15.030  -9.327
  491    H    GLU  66           H        GLU  66   4.018  19.705  -9.575
  492    HA   GLU  66           HA       GLU  66   1.890  19.557  -7.787
  493    HB2  GLU  66           HB2      GLU  66   2.391  22.112  -9.349
  494    HB3  GLU  66           HB3      GLU  66   1.873  21.902  -7.673
  495    HG2  GLU  66           HG2      GLU  66   4.175  20.896  -7.230
  496    HG3  GLU  66           HG3      GLU  66   4.591  21.401  -8.889
  497    H    ASP  67           H        ASP  67   1.748  20.647 -11.195
  498    HA   ASP  67           HA       ASP  67  -1.007  21.233 -11.220
  499    HB2  ASP  67           HB2      ASP  67   0.580  22.000 -12.951
  500    HB3  ASP  67           HB3      ASP  67   0.754  20.342 -13.546
  501    H    VAL  68           H        VAL  68   0.699  18.224 -12.124
  502    HA   VAL  68           HA       VAL  68  -1.625  16.772 -12.883
  503    HB   VAL  68           HB       VAL  68   1.138  15.816 -12.068
  504   HG11  VAL  68          HG11      VAL  68  -0.388  13.964 -11.593
  505   HG12  VAL  68          HG12      VAL  68  -1.185  14.172 -13.165
  506   HG13  VAL  68          HG13      VAL  68   0.505  13.615 -13.070
  507   HG21  VAL  68          HG21      VAL  68  -0.342  16.072 -14.735
  508   HG22  VAL  68          HG22      VAL  68   1.052  17.026 -14.192
  509   HG23  VAL  68          HG23      VAL  68   1.241  15.309 -14.551
  510    H    VAL  69           H        VAL  69   0.110  16.895  -9.686
  511    HA   VAL  69           HA       VAL  69  -1.801  15.085  -8.522
  512    HB   VAL  69           HB       VAL  69  -0.602  15.298  -6.519
  513   HG11  VAL  69          HG11      VAL  69   0.350  13.812  -8.140
  514   HG12  VAL  69          HG12      VAL  69   1.287  15.121  -8.875
  515   HG13  VAL  69          HG13      VAL  69   1.657  14.583  -7.230
  516   HG21  VAL  69          HG21      VAL  69   1.399  16.793  -6.255
  517   HG22  VAL  69          HG22      VAL  69   0.858  17.647  -7.706
  518   HG23  VAL  69          HG23      VAL  69  -0.155  17.632  -6.261
  519    H    GLY  70           H        GLY  70  -2.186  18.299  -9.304
  520    HA2  GLY  70           HA2      GLY  70  -3.378  19.469  -7.011
  521    HA3  GLY  70           HA3      GLY  70  -3.721  19.909  -8.695
  522    H    GLY  71           H        GLY  71  -5.181  19.006  -5.935
  523    HA2  GLY  71           HA2      GLY  71  -7.326  18.263  -5.439
  524    HA3  GLY  71           HA3      GLY  71  -7.622  17.963  -7.168
  525    H    CYS  72           H        CYS  72  -4.771  16.434  -5.994
  526    HA   CYS  72           HA       CYS  72  -6.151  13.770  -5.856
  527    HB2  CYS  72           HB2      CYS  72  -3.403  14.323  -7.053
  528    HB3  CYS  72           HB3      CYS  72  -4.361  12.855  -7.190
  529    HG   CYS  72           HG       CYS  72  -5.164  15.868  -8.376
  530    H    CYS  73           H        CYS  73  -4.841  12.081  -4.893
  531    HA   CYS  73           HA       CYS  73  -2.822  12.952  -2.841
  532    HB2  CYS  73           HB2      CYS  73  -4.749  10.570  -2.799
  533    HB3  CYS  73           HB3      CYS  73  -3.470  10.874  -1.610
  534    HG   CYS  73           HG       CYS  73  -4.331  13.212  -0.807
  535    H    TYR  74           H        TYR  74  -0.877  11.593  -2.725
  536    HA   TYR  74           HA       TYR  74  -0.560   9.588  -4.836
  537    HB2  TYR  74           HB2      TYR  74   1.136  10.705  -6.102
  538    HB3  TYR  74           HB3      TYR  74  -0.312  11.681  -6.088
  539    HD1  TYR  74           HD2      TYR  74  -0.412  13.728  -4.537
  540    HD2  TYR  74           HD1      TYR  74   3.234  11.609  -5.431
  541    HE1  TYR  74           HE2      TYR  74   0.900  15.741  -3.924
  542    HE2  TYR  74           HE1      TYR  74   4.554  13.623  -4.813
  543    HH   TYR  74           HH       TYR  74   3.014  16.680  -3.735
  544    H    ARG  75           H        ARG  75   1.310   8.452  -4.981
  545    HA   ARG  75           HA       ARG  75   3.181   8.431  -2.638
  546    HB2  ARG  75           HB2      ARG  75   1.830   6.031  -3.954
  547    HB3  ARG  75           HB3      ARG  75   3.041   5.963  -2.668
  548    HG2  ARG  75           HG2      ARG  75   1.489   7.067  -1.102
  549    HG3  ARG  75           HG3      ARG  75   0.271   7.225  -2.382
  550    HD2  ARG  75           HD2      ARG  75   0.205   4.762  -2.624
  551    HD3  ARG  75           HD3      ARG  75   1.347   4.606  -1.270
  552    HE   ARG  75           HE       ARG  75  -0.661   6.157  -0.218
  553   HH11  ARG  75          HH11      ARG  75  -0.690   2.955  -1.740
  554   HH12  ARG  75          HH12      ARG  75  -2.087   2.446  -0.845
  555   HH21  ARG  75          HH21      ARG  75  -2.480   5.438   0.886
  556   HH22  ARG  75          HH22      ARG  75  -3.079   3.830   0.627
  557    H    VAL  76           H        VAL  76   5.259   7.550  -3.150
  558    HA   VAL  76           HA       VAL  76   5.897   7.241  -6.067
  559    HB   VAL  76           HB       VAL  76   7.889   7.952  -3.883
  560   HG11  VAL  76          HG11      VAL  76   9.346   8.533  -5.801
  561   HG12  VAL  76          HG12      VAL  76   8.862   6.840  -5.889
  562   HG13  VAL  76          HG13      VAL  76   8.075   8.050  -6.930
  563   HG21  VAL  76          HG21      VAL  76   7.903  10.238  -4.863
  564   HG22  VAL  76          HG22      VAL  76   6.517   9.802  -5.890
  565   HG23  VAL  76          HG23      VAL  76   6.358   9.859  -4.117
  566    H    ASN  77           H        ASN  77   6.715   5.277  -6.679
  567    HA   ASN  77           HA       ASN  77   7.488   3.245  -4.674
  568    HB2  ASN  77           HB2      ASN  77   5.557   1.748  -5.504
  569    HB3  ASN  77           HB3      ASN  77   5.225   2.999  -4.326
  570   HD21  ASN  77          HD22      ASN  77   5.188   2.534  -7.919
  571   HD22  ASN  77          HD21      ASN  77   3.710   3.470  -8.144
  572    H    ASN  78           H        ASN  78   9.432   3.235  -5.786
  573    HA   ASN  78           HA       ASN  78   9.609   2.309  -8.551
  574    HB2  ASN  78           HB2      ASN  78  11.708   2.726  -6.378
  575    HB3  ASN  78           HB3      ASN  78  12.066   2.327  -8.061
  576   HD21  ASN  78          HD22      ASN  78  13.203   4.586  -7.023
  577   HD22  ASN  78          HD21      ASN  78  12.454   5.990  -7.770
  578    H    SER  79           H        SER  79   8.038   0.431  -7.317
  579    HA   SER  79           HA       SER  79   9.268  -1.623  -5.853
  580    HB2  SER  79           HB2      SER  79   6.894  -1.925  -7.728
  581    HB3  SER  79           HB3      SER  79   7.250  -2.862  -6.260
  582    HG   SER  79           HG       SER  79   5.694  -1.253  -5.791
  583    H    LEU  80           H        LEU  80   9.303  -1.143  -9.336
  584    HA   LEU  80           HA       LEU  80   9.911  -3.805 -10.128
  585    HB2  LEU  80           HB2      LEU  80  10.908  -1.309 -11.523
  586    HB3  LEU  80           HB3      LEU  80  10.630  -2.914 -12.205
  587    HG   LEU  80           HG       LEU  80   8.491  -0.976 -11.246
  588   HD11  LEU  80          HD11      LEU  80   9.621  -0.341 -13.360
  589   HD12  LEU  80          HD12      LEU  80   9.193  -1.920 -14.053
  590   HD13  LEU  80          HD13      LEU  80   7.920  -0.768 -13.592
  591   HD21  LEU  80          HD21      LEU  80   8.179  -3.745 -12.485
  592   HD22  LEU  80          HD22      LEU  80   7.705  -3.260 -10.847
  593   HD23  LEU  80          HD23      LEU  80   6.862  -2.575 -12.241
  594    H    ASP  81           H        ASP  81  11.900  -1.620  -8.369
  595    HA   ASP  81           HA       ASP  81  14.538  -2.440  -8.948
  596    HB2  ASP  81           HB2      ASP  81  13.762  -0.684  -7.280
  597    HB3  ASP  81           HB3      ASP  81  13.258  -2.013  -6.213
  598    H    HIS  82           H        HIS  82  11.940  -4.139  -7.202
  599    HA   HIS  82           HA       HIS  82  13.789  -6.388  -6.546
  600    HB2  HIS  82           HB2      HIS  82  12.206  -7.071  -4.935
  601    HB3  HIS  82           HB3      HIS  82  12.504  -5.343  -4.750
  602    HD1  HIS  82           HD1      HIS  82   9.682  -7.170  -6.845
  603    HD2  HIS  82           HD2      HIS  82  10.381  -4.377  -3.758
  604    HE1  HIS  82           HE1      HIS  82   7.418  -6.332  -6.111
  605    H    GLU  83           H        GLU  83  12.185  -5.595  -9.212
  606    HA   GLU  83           HA       GLU  83  11.214  -8.349  -9.851
  607    HB2  GLU  83           HB2      GLU  83  10.660  -5.700 -11.264
  608    HB3  GLU  83           HB3      GLU  83  10.098  -7.288 -11.778
  609    HG2  GLU  83           HG2      GLU  83   9.325  -5.878  -9.192
  610    HG3  GLU  83           HG3      GLU  83   8.324  -6.078 -10.623
  611    H    TYR  84           H        TYR  84  13.067  -5.616 -11.190
  612    HA   TYR  84           HA       TYR  84  14.680  -7.496 -12.880
  613    HB2  TYR  84           HB2      TYR  84  14.064  -4.637 -13.624
  614    HB3  TYR  84           HB3      TYR  84  14.568  -5.962 -14.665
  615    HD1  TYR  84           HD1      TYR  84  12.784  -8.089 -14.519
  616    HD2  TYR  84           HD2      TYR  84  11.881  -3.922 -13.893
  617    HE1  TYR  84           HE1      TYR  84  10.370  -8.555 -14.898
  618    HE2  TYR  84           HE2      TYR  84   9.475  -4.377 -14.284
  619    HH   TYR  84           HH       TYR  84   7.863  -5.987 -14.746
  620    H    GLN  85           H        GLN  85  16.792  -6.524 -13.659
  621    HA   GLN  85           HA       GLN  85  18.331  -5.475 -11.453
  622    HB2  GLN  85           HB2      GLN  85  18.988  -6.035 -14.367
  623    HB3  GLN  85           HB3      GLN  85  20.171  -5.342 -13.265
  624    HG2  GLN  85           HG2      GLN  85  18.754  -8.005 -12.852
  625    HG3  GLN  85           HG3      GLN  85  20.395  -7.804 -13.468
  626   HE21  GLN  85          HE22      GLN  85  19.369  -9.208 -10.954
  627   HE22  GLN  85          HE21      GLN  85  20.281  -8.443  -9.662
  628    HA   PRO  86           HA       PRO  86  17.906  -1.123 -11.957
  629    HB2  PRO  86           HB2      PRO  86  20.923  -0.899 -12.016
  630    HB3  PRO  86           HB3      PRO  86  19.742   0.016 -11.032
  631    HG2  PRO  86           HG2      PRO  86  21.142  -2.041  -9.944
  632    HG3  PRO  86           HG3      PRO  86  19.391  -1.864  -9.590
  633    HD2  PRO  86           HD2      PRO  86  20.742  -3.696 -11.572
  634    HD3  PRO  86           HD3      PRO  86  19.425  -4.037 -10.408
  635    H    ARG  87           H        ARG  87  17.580   0.299 -13.597
  636    HA   ARG  87           HA       ARG  87  19.020  -0.069 -16.205
  637    HB2  ARG  87           HB2      ARG  87  16.237   1.065 -15.792
  638    HB3  ARG  87           HB3      ARG  87  16.989   0.683 -17.326
  639    HG2  ARG  87           HG2      ARG  87  16.079  -1.345 -15.232
  640    HG3  ARG  87           HG3      ARG  87  15.178  -0.840 -16.640
  641    HD2  ARG  87           HD2      ARG  87  16.091  -3.003 -17.049
  642    HD3  ARG  87           HD3      ARG  87  16.850  -1.838 -18.140
  643    HE   ARG  87           HE       ARG  87  18.379  -2.257 -15.704
  644   HH11  ARG  87          HH21      ARG  87  17.660  -4.090 -18.649
  645   HH12  ARG  87          HH22      ARG  87  19.275  -4.737 -18.729
  646   HH21  ARG  87          HH11      ARG  87  20.418  -3.075 -15.890
  647   HH22  ARG  87          HH12      ARG  87  20.791  -4.244 -17.130
  648    HA   PRO  88           HA       PRO  88  20.478   4.060 -15.511
  649    HB2  PRO  88           HB2      PRO  88  21.182   4.936 -18.000
  650    HB3  PRO  88           HB3      PRO  88  22.030   3.611 -17.145
  651    HG2  PRO  88           HG2      PRO  88  19.854   3.373 -19.238
  652    HG3  PRO  88           HG3      PRO  88  21.426   2.515 -19.167
  653    HD2  PRO  88           HD2      PRO  88  19.088   1.408 -18.285
  654    HD3  PRO  88           HD3      PRO  88  20.655   1.078 -17.476
  655    H    VAL  89           H        VAL  89  19.351   5.787 -14.917
  656    HA   VAL  89           HA       VAL  89  16.675   6.186 -15.628
  657    HB   VAL  89           HB       VAL  89  18.673   7.890 -14.152
  658   HG11  VAL  89          HG11      VAL  89  16.817   9.320 -13.310
  659   HG12  VAL  89          HG12      VAL  89  17.171   9.586 -15.009
  660   HG13  VAL  89          HG13      VAL  89  15.743   8.626 -14.546
  661   HG21  VAL  89          HG21      VAL  89  17.308   7.227 -12.205
  662   HG22  VAL  89          HG22      VAL  89  16.186   6.359 -13.278
  663   HG23  VAL  89          HG23      VAL  89  17.864   5.808 -13.092
  664    H    GLU  90           H        GLU  90  19.478   7.836 -17.070
  665    HA   GLU  90           HA       GLU  90  18.037   9.816 -18.473
  666    HB2  GLU  90           HB2      GLU  90  19.952  10.008 -19.927
  667    HB3  GLU  90           HB3      GLU  90  20.448   9.847 -18.244
  668    HG2  GLU  90           HG2      GLU  90  21.001   7.430 -18.685
  669    HG3  GLU  90           HG3      GLU  90  20.596   7.693 -20.392
  670    H    VAL  91           H        VAL  91  18.578   6.416 -19.324
  671    HA   VAL  91           HA       VAL  91  17.367   6.666 -21.949
  672    HB   VAL  91           HB       VAL  91  17.862   4.128 -20.360
  673   HG11  VAL  91          HG11      VAL  91  17.226   4.541 -23.315
  674   HG12  VAL  91          HG12      VAL  91  17.792   3.016 -22.605
  675   HG13  VAL  91          HG13      VAL  91  16.230   3.676 -22.121
  676   HG21  VAL  91          HG21      VAL  91  19.860   3.878 -21.811
  677   HG22  VAL  91          HG22      VAL  91  19.552   5.487 -22.507
  678   HG23  VAL  91          HG23      VAL  91  19.979   5.303 -20.788
  679    H    ILE  92           H        ILE  92  16.152   5.792 -18.710
  680    HA   ILE  92           HA       ILE  92  13.472   5.041 -19.532
  681    HB   ILE  92           HB       ILE  92  14.300   6.337 -16.893
  682   HG12  ILE  92          HG12      ILE  92  14.338   3.367 -17.617
  683   HG13  ILE  92          HG13      ILE  92  15.766   4.370 -17.403
  684   HG21  ILE  92          HG21      ILE  92  12.032   4.391 -17.507
  685   HG22  ILE  92          HG22      ILE  92  12.347   5.218 -15.971
  686   HG23  ILE  92          HG23      ILE  92  11.826   6.150 -17.371
  687   HD11  ILE  92          HD11      ILE  92  14.987   4.878 -15.038
  688   HD12  ILE  92          HD12      ILE  92  13.785   3.584 -15.276
  689   HD13  ILE  92          HD13      ILE  92  15.515   3.220 -15.367
  690    H    ILE  93           H        ILE  93  14.807   8.206 -18.462
  691    HA   ILE  93           HA       ILE  93  12.406   9.680 -19.015
  692    HB   ILE  93           HB       ILE  93  15.311  10.477 -18.627
  693   HG12  ILE  93          HG12      ILE  93  12.820  10.979 -16.916
  694   HG13  ILE  93          HG13      ILE  93  13.838   9.562 -16.699
  695   HG21  ILE  93          HG21      ILE  93  14.374  12.230 -20.053
  696   HG22  ILE  93          HG22      ILE  93  12.917  12.339 -19.036
  697   HG23  ILE  93          HG23      ILE  93  14.507  12.857 -18.424
  698   HD11  ILE  93          HD11      ILE  93  15.774  11.038 -16.172
  699   HD12  ILE  93          HD12      ILE  93  14.687  12.441 -16.238
  700   HD13  ILE  93          HD13      ILE  93  14.417  11.181 -15.031
  701    H    SER  94           H        SER  94  15.260   9.006 -21.082
  702    HA   SER  94           HA       SER  94  14.311  10.459 -23.340
  703    HB2  SER  94           HB2      SER  94  15.912   7.871 -23.332
  704    HB3  SER  94           HB3      SER  94  15.711   8.966 -24.704
  705    HG   SER  94           HG       SER  94  17.063   9.458 -22.242
  706    H    SER  95           H        SER  95  13.565   7.127 -22.309
  707    HA   SER  95           HA       SER  95  11.859   6.474 -24.512
  708    HB2  SER  95           HB2      SER  95  12.903   4.872 -22.892
  709    HB3  SER  95           HB3      SER  95  11.732   5.408 -21.671
  710    HG   SER  95           HG       SER  95  11.162   3.460 -23.007
  711    H    ALA  96           H        ALA  96  11.148   7.950 -21.297
  712    HA   ALA  96           HA       ALA  96   8.344   8.245 -21.612
  713    HB1  ALA  96           HB1      ALA  96   8.546   9.836 -19.823
  714    HB2  ALA  96           HB2      ALA  96   9.769   8.592 -19.534
  715    HB3  ALA  96           HB3      ALA  96  10.249  10.168 -20.199
  716    H    LYS  97           H        LYS  97  10.992  10.497 -22.530
  717    HA   LYS  97           HA       LYS  97   9.367  12.446 -23.841
  718    HB2  LYS  97           HB2      LYS  97  12.314  11.710 -23.978
  719    HB3  LYS  97           HB3      LYS  97  11.638  13.093 -24.838
  720    HG2  LYS  97           HG2      LYS  97  10.955  14.171 -22.780
  721    HG3  LYS  97           HG3      LYS  97  11.406  12.756 -21.811
  722    HD2  LYS  97           HD2      LYS  97  13.740  12.986 -22.427
  723    HD3  LYS  97           HD3      LYS  97  13.365  14.313 -23.549
  724    HE2  LYS  97           HE2      LYS  97  12.503  15.672 -21.611
  725    HE3  LYS  97           HE3      LYS  97  13.008  14.382 -20.510
  726    HZ1  LYS  97           HZ1      LYS  97  14.833  15.936 -22.287
  727    HZ2  LYS  97           HZ2      LYS  97  14.703  16.135 -20.674
  728    HZ3  LYS  97           HZ3      LYS  97  15.320  14.746 -21.280
  729    H    GLU  98           H        GLU  98  10.611   9.390 -25.082
  730    HA   GLU  98           HA       GLU  98   9.944   9.999 -27.835
  731    HB2  GLU  98           HB2      GLU  98  10.698   7.445 -26.402
  732    HB3  GLU  98           HB3      GLU  98  10.137   7.448 -28.076
  733    HG2  GLU  98           HG2      GLU  98  11.942   8.996 -28.721
  734    HG3  GLU  98           HG3      GLU  98  12.554   9.001 -27.069
  735    H    MET  99           H        MET  99   8.388   8.248 -25.158
  736    HA   MET  99           HA       MET  99   6.098   7.428 -26.656
  737    HB2  MET  99           HB2      MET  99   6.657   7.575 -23.679
  738    HB3  MET  99           HB3      MET  99   5.203   6.861 -24.396
  739    HG2  MET  99           HG2      MET  99   8.008   5.971 -25.194
  740    HG3  MET  99           HG3      MET  99   7.154   5.245 -23.860
  741    HE1  MET  99           HE1      MET  99   5.493   3.553 -23.903
  742    HE2  MET  99           HE2      MET  99   4.263   4.672 -24.547
  743    HE3  MET  99           HE3      MET  99   4.484   3.067 -25.282
  744    H    VAL 100           H        VAL 100   6.594  10.188 -24.430
  745    HA   VAL 100           HA       VAL 100   4.030  11.185 -24.410
  746    HB   VAL 100           HB       VAL 100   6.092  12.020 -23.198
  747   HG11  VAL 100          HG11      VAL 100   6.231  14.060 -25.445
  748   HG12  VAL 100          HG12      VAL 100   7.216  13.980 -23.972
  749   HG13  VAL 100          HG13      VAL 100   7.382  12.728 -25.216
  750   HG21  VAL 100          HG21      VAL 100   4.043  14.046 -24.173
  751   HG22  VAL 100          HG22      VAL 100   3.823  12.859 -22.872
  752   HG23  VAL 100          HG23      VAL 100   5.023  14.136 -22.698
  753    H    GLY 101           H        GLY 101   2.660  12.337 -25.529
  754    HA2  GLY 101           HA2      GLY 101   1.814  13.616 -27.318
  755    HA3  GLY 101           HA3      GLY 101   3.264  13.262 -28.291
  756    H    GLN 102           H        GLN 102   2.759  10.244 -27.309
  757    HA   GLN 102           HA       GLN 102   1.197   9.580 -29.644
  758    HB2  GLN 102           HB2      GLN 102   2.551   7.785 -27.596
  759    HB3  GLN 102           HB3      GLN 102   1.786   7.254 -29.094
  760    HG2  GLN 102           HG2      GLN 102   3.404   8.654 -30.405
  761    HG3  GLN 102           HG3      GLN 102   4.213   9.099 -28.903
  762   HE21  GLN 102          HE22      GLN 102   6.232   7.995 -28.962
  763   HE22  GLN 102          HE21      GLN 102   6.344   6.286 -29.354
  764    H    LYS 103           H        LYS 103  -0.660   8.380 -29.724
  765    HA   LYS 103           HA       LYS 103  -2.502   8.521 -27.397
  766    HB2  LYS 103           HB2      LYS 103  -2.937   8.187 -30.365
  767    HB3  LYS 103           HB3      LYS 103  -4.205   7.863 -29.170
  768    HG2  LYS 103           HG2      LYS 103  -3.931  10.121 -28.209
  769    HG3  LYS 103           HG3      LYS 103  -2.681  10.487 -29.419
  770    HD2  LYS 103           HD2      LYS 103  -4.338  10.078 -31.228
  771    HD3  LYS 103           HD3      LYS 103  -5.603   9.793 -30.019
  772    HE2  LYS 103           HE2      LYS 103  -3.891  12.301 -30.138
  773    HE3  LYS 103           HE3      LYS 103  -5.424  12.150 -31.035
  774    HZ1  LYS 103           HZ1      LYS 103  -4.983  12.419 -28.149
  775    HZ2  LYS 103           HZ2      LYS 103  -6.087  13.161 -29.084
  776    HZ3  LYS 103           HZ3      LYS 103  -6.340  11.595 -28.650
  777    H    MET 104           H        MET 104  -3.832   6.686 -26.850
  778    HA   MET 104           HA       MET 104  -3.085   3.990 -27.836
  779    HB2  MET 104           HB2      MET 104  -2.972   4.739 -24.872
  780    HB3  MET 104           HB3      MET 104  -2.891   3.098 -25.533
  781    HG2  MET 104           HG2      MET 104  -0.851   3.835 -26.859
  782    HG3  MET 104           HG3      MET 104  -0.851   5.309 -25.877
  783    HE1  MET 104           HE1      MET 104   1.681   3.585 -26.068
  784    HE2  MET 104           HE2      MET 104   1.527   4.994 -24.994
  785    HE3  MET 104           HE3      MET 104   2.159   3.454 -24.363
  786    H    LYS 105           H        LYS 105  -4.527   2.302 -27.056
  787    HA   LYS 105           HA       LYS 105  -7.337   3.085 -27.081
  788    HB2  LYS 105           HB2      LYS 105  -5.930   0.397 -26.747
  789    HB3  LYS 105           HB3      LYS 105  -7.684   0.601 -26.881
  790    HG2  LYS 105           HG2      LYS 105  -7.421   1.623 -29.127
  791    HG3  LYS 105           HG3      LYS 105  -5.669   1.471 -29.003
  792    HD2  LYS 105           HD2      LYS 105  -6.475  -0.306 -30.383
  793    HD3  LYS 105           HD3      LYS 105  -5.877  -1.001 -28.874
  794    HE2  LYS 105           HE2      LYS 105  -8.214  -1.202 -28.032
  795    HE3  LYS 105           HE3      LYS 105  -8.817  -0.417 -29.498
  796    HZ1  LYS 105           HZ1      LYS 105  -8.995  -2.840 -29.648
  797    HZ2  LYS 105           HZ2      LYS 105  -7.964  -2.301 -30.790
  798    HZ3  LYS 105           HZ3      LYS 105  -7.388  -3.031 -29.444
  799    H    TYR 106           H        TYR 106  -8.894   2.282 -25.542
  800    HA   TYR 106           HA       TYR 106  -8.036   2.614 -22.684
  801    HB2  TYR 106           HB2      TYR 106  -9.984   4.118 -22.448
  802    HB3  TYR 106           HB3      TYR 106  -8.781   4.718 -23.571
  803    HD1  TYR 106           HD2      TYR 106  -9.228   4.896 -25.973
  804    HD2  TYR 106           HD1      TYR 106 -12.231   3.408 -23.259
  805    HE1  TYR 106           HE2      TYR 106 -10.957   5.183 -27.734
  806    HE2  TYR 106           HE1      TYR 106 -13.961   3.689 -25.019
  807    HH   TYR 106           HH       TYR 106 -13.162   4.879 -28.314
  808    H    SER 107           H        SER 107  -9.083   0.198 -24.438
  809    HA   SER 107           HA       SER 107 -11.632  -0.580 -23.554
  810    HB2  SER 107           HB2      SER 107  -9.282  -2.409 -24.167
  811    HB3  SER 107           HB3      SER 107 -11.003  -2.825 -24.226
  812    HG   SER 107           HG       SER 107 -10.289  -2.333 -26.328
  813    H    ILE 108           H        ILE 108 -12.422  -1.176 -21.602
  814    HA   ILE 108           HA       ILE 108 -10.851  -1.026 -19.265
  815    HB   ILE 108           HB       ILE 108 -12.839  -1.262 -18.031
  816   HG12  ILE 108          HG12      ILE 108 -13.969  -3.182 -18.918
  817   HG13  ILE 108          HG13      ILE 108 -15.039  -1.802 -18.896
  818   HG21  ILE 108          HG21      ILE 108 -14.178   0.519 -18.948
  819   HG22  ILE 108          HG22      ILE 108 -12.463   0.842 -19.240
  820   HG23  ILE 108          HG23      ILE 108 -13.499   0.281 -20.566
  821   HD11  ILE 108          HD11      ILE 108 -14.730  -1.540 -21.373
  822   HD12  ILE 108          HD12      ILE 108 -13.737  -3.032 -21.355
  823   HD13  ILE 108          HD13      ILE 108 -15.441  -3.084 -20.886
  824    H    VAL 109           H        VAL 109 -10.037  -3.332 -20.851
  825    HA   VAL 109           HA       VAL 109 -10.635  -5.782 -19.336
  826    HB   VAL 109           HB       VAL 109  -8.472  -5.200 -21.394
  827   HG11  VAL 109          HG11      VAL 109  -8.352  -7.688 -21.671
  828   HG12  VAL 109          HG12      VAL 109  -7.793  -7.155 -20.087
  829   HG13  VAL 109          HG13      VAL 109  -9.412  -7.876 -20.258
  830   HG21  VAL 109          HG21      VAL 109  -9.942  -6.455 -22.959
  831   HG22  VAL 109          HG22      VAL 109 -11.185  -6.563 -21.693
  832   HG23  VAL 109          HG23      VAL 109 -10.718  -4.988 -22.374
  833    H    SER 110           H        SER 110  -8.068  -3.292 -19.329
  834    HA   SER 110           HA       SER 110  -7.230  -3.965 -16.643
  835    HB2  SER 110           HB2      SER 110  -5.997  -5.686 -17.992
  836    HB3  SER 110           HB3      SER 110  -5.198  -4.374 -18.877
  837    HG   SER 110           HG       SER 110  -4.005  -5.239 -17.016
  838    H    ARG 111           H        ARG 111  -5.637  -2.370 -15.832
  839    HA   ARG 111           HA       ARG 111  -6.268   0.290 -16.880
  840    HB2  ARG 111           HB2      ARG 111  -4.509  -0.551 -14.550
  841    HB3  ARG 111           HB3      ARG 111  -4.986   1.104 -14.933
  842    HG2  ARG 111           HG2      ARG 111  -7.403   0.411 -14.681
  843    HG3  ARG 111           HG3      ARG 111  -6.855  -1.176 -14.132
  844    HD2  ARG 111           HD2      ARG 111  -6.314   1.492 -12.771
  845    HD3  ARG 111           HD3      ARG 111  -7.447   0.242 -12.241
  846    HE   ARG 111           HE       ARG 111  -4.601  -0.570 -12.506
  847   HH11  ARG 111          HH11      ARG 111  -7.001   0.600 -10.141
  848   HH12  ARG 111          HH12      ARG 111  -6.138  -0.171  -8.836
  849   HH21  ARG 111          HH21      ARG 111  -3.541  -1.281 -10.920
  850   HH22  ARG 111          HH22      ARG 111  -4.108  -1.221  -9.250
  851    H    ASN 112           H        ASN 112  -5.210   1.100 -18.571
  852    HA   ASN 112           HA       ASN 112  -2.783   0.049 -19.590
  853    HB2  ASN 112           HB2      ASN 112  -4.602   1.163 -20.867
  854    HB3  ASN 112           HB3      ASN 112  -4.131   2.726 -20.202
  855   HD21  ASN 112          HD22      ASN 112  -4.233   2.489 -22.951
  856   HD22  ASN 112          HD21      ASN 112  -2.581   2.472 -23.555
  857    H    CYS 113           H        CYS 113  -3.282   3.169 -17.851
  858    HA   CYS 113           HA       CYS 113  -0.804   4.278 -18.230
  859    HB2  CYS 113           HB2      CYS 113  -2.561   4.613 -15.760
  860    HB3  CYS 113           HB3      CYS 113  -1.394   5.792 -16.421
  861    HG   CYS 113           HG       CYS 113  -3.296   6.913 -17.437
  862    H    GLU 114           H        GLU 114  -1.521   2.137 -15.409
  863    HA   GLU 114           HA       GLU 114   1.081   2.434 -14.257
  864    HB2  GLU 114           HB2      GLU 114   0.582   0.650 -12.822
  865    HB3  GLU 114           HB3      GLU 114  -0.908   1.549 -13.054
  866    HG2  GLU 114           HG2      GLU 114  -1.706  -0.184 -14.649
  867    HG3  GLU 114           HG3      GLU 114  -0.231  -1.117 -14.344
  868    H    HIS 115           H        HIS 115  -0.135   0.095 -16.682
  869    HA   HIS 115           HA       HIS 115   2.347  -1.411 -16.822
  870    HB2  HIS 115           HB2      HIS 115  -0.029  -1.200 -18.724
  871    HB3  HIS 115           HB3      HIS 115   1.312  -2.320 -18.910
  872    HD1  HIS 115           HD1      HIS 115  -1.914  -1.958 -16.926
  873    HD2  HIS 115           HD2      HIS 115   1.615  -4.258 -16.971
  874    HE1  HIS 115           HE1      HIS 115  -2.337  -3.944 -15.402
  875    H    PHE 116           H        PHE 116   1.008   1.373 -18.638
  876    HA   PHE 116           HA       PHE 116   3.133   1.713 -20.471
  877    HB2  PHE 116           HB2      PHE 116   1.253   3.032 -20.878
  878    HB3  PHE 116           HB3      PHE 116   1.111   3.562 -19.210
  879    HD1  PHE 116           HD1      PHE 116   3.498   3.765 -22.097
  880    HD2  PHE 116           HD2      PHE 116   1.900   5.694 -18.589
  881    HE1  PHE 116           HE1      PHE 116   4.934   5.742 -22.515
  882    HE2  PHE 116           HE2      PHE 116   3.337   7.680 -19.030
  883    HZ   PHE 116           HZ       PHE 116   4.856   7.697 -20.990
  884    H    VAL 117           H        VAL 117   2.828   3.354 -17.201
  885    HA   VAL 117           HA       VAL 117   5.509   4.365 -17.524
  886    HB   VAL 117           HB       VAL 117   5.594   4.948 -15.173
  887   HG11  VAL 117          HG11      VAL 117   3.900   6.651 -15.215
  888   HG12  VAL 117          HG12      VAL 117   4.578   6.462 -16.827
  889   HG13  VAL 117          HG13      VAL 117   2.973   5.777 -16.453
  890   HG21  VAL 117          HG21      VAL 117   2.791   3.814 -14.876
  891   HG22  VAL 117          HG22      VAL 117   4.251   3.028 -14.243
  892   HG23  VAL 117          HG23      VAL 117   3.785   4.621 -13.647
  893    H    THR 118           H        THR 118   4.410   1.255 -16.302
  894    HA   THR 118           HA       THR 118   6.900   0.295 -15.242
  895    HB   THR 118           HB       THR 118   4.600  -1.095 -16.469
  896    HG1  THR 118           HG1      THR 118   4.022  -0.220 -14.575
  897   HG21  THR 118          HG21      THR 118   5.417  -3.160 -15.336
  898   HG22  THR 118          HG22      THR 118   6.452  -2.654 -16.682
  899   HG23  THR 118          HG23      THR 118   6.949  -2.342 -15.005
  900    H    GLN 119           H        GLN 119   5.520   0.092 -18.547
  901    HA   GLN 119           HA       GLN 119   7.688  -1.311 -19.708
  902    HB2  GLN 119           HB2      GLN 119   5.479   0.458 -20.815
  903    HB3  GLN 119           HB3      GLN 119   6.708  -0.211 -21.880
  904    HG2  GLN 119           HG2      GLN 119   5.069  -1.996 -20.028
  905    HG3  GLN 119           HG3      GLN 119   4.512  -1.528 -21.629
  906   HE21  GLN 119          HE22      GLN 119   5.385  -2.630 -23.475
  907   HE22  GLN 119          HE21      GLN 119   6.631  -3.851 -23.307
  908    H    LEU 120           H        LEU 120   7.402   2.169 -19.058
  909    HA   LEU 120           HA       LEU 120   9.508   3.056 -20.782
  910    HB2  LEU 120           HB2      LEU 120   8.696   4.089 -18.026
  911    HB3  LEU 120           HB3      LEU 120   9.742   4.939 -19.159
  912    HG   LEU 120           HG       LEU 120   6.803   4.275 -19.618
  913   HD11  LEU 120          HD11      LEU 120   6.475   6.683 -19.386
  914   HD12  LEU 120          HD12      LEU 120   7.232   6.020 -17.936
  915   HD13  LEU 120          HD13      LEU 120   8.209   6.920 -19.127
  916   HD21  LEU 120          HD21      LEU 120   7.073   5.837 -21.600
  917   HD22  LEU 120          HD22      LEU 120   8.830   5.695 -21.392
  918   HD23  LEU 120          HD23      LEU 120   7.853   4.265 -21.797
  919    H    ARG 121           H        ARG 121   9.720   1.456 -17.629
  920    HA   ARG 121           HA       ARG 121  12.711   1.569 -17.710
  921    HB2  ARG 121           HB2      ARG 121  11.588   2.173 -15.600
  922    HB3  ARG 121           HB3      ARG 121  10.826   0.578 -15.534
  923    HG2  ARG 121           HG2      ARG 121  13.067  -0.487 -15.436
  924    HG3  ARG 121           HG3      ARG 121  13.853   1.081 -15.548
  925    HD2  ARG 121           HD2      ARG 121  11.879   0.542 -13.277
  926    HD3  ARG 121           HD3      ARG 121  13.455  -0.211 -13.236
  927    HE   ARG 121           HE       ARG 121  14.538   1.771 -12.894
  928   HH11  ARG 121          HH21      ARG 121  11.090   2.652 -13.289
  929   HH12  ARG 121          HH22      ARG 121  11.412   4.266 -12.700
  930   HH21  ARG 121          HH11      ARG 121  14.740   3.807 -12.016
  931   HH22  ARG 121          HH12      ARG 121  13.352   4.864 -11.972
  932    H    TYR 122           H        TYR 122  10.051  -0.906 -17.485
  933    HA   TYR 122           HA       TYR 122  11.848  -3.125 -17.595
  934    HB2  TYR 122           HB2      TYR 122   9.607  -3.226 -16.646
  935    HB3  TYR 122           HB3      TYR 122   8.891  -2.862 -18.213
  936    HD1  TYR 122           HD1      TYR 122  11.592  -5.371 -17.299
  937    HD2  TYR 122           HD2      TYR 122   7.583  -4.715 -18.755
  938    HE1  TYR 122           HE1      TYR 122  11.385  -7.782 -17.804
  939    HE2  TYR 122           HE2      TYR 122   7.363  -7.142 -19.233
  940    HH   TYR 122           HH       TYR 122  10.030  -9.471 -18.610
  941    H    GLY 123           H        GLY 123  10.334  -1.296 -20.235
  942    HA2  GLY 123           HA2      GLY 123  11.053  -3.177 -22.347
  943    HA3  GLY 123           HA3      GLY 123  10.433  -1.516 -22.530
  944    H    LYS 124           H        LYS 124  13.030  -1.106 -20.518
  945    HA   LYS 124           HA       LYS 124  14.798  -0.093 -22.515
  946    HB2  LYS 124           HB2      LYS 124  14.587   0.579 -20.091
  947    HB3  LYS 124           HB3      LYS 124  15.408  -0.904 -19.628
  948    HG2  LYS 124           HG2      LYS 124  16.595   1.214 -21.456
  949    HG3  LYS 124           HG3      LYS 124  16.715   1.284 -19.695
  950    HD2  LYS 124           HD2      LYS 124  18.247  -0.480 -19.559
  951    HD3  LYS 124           HD3      LYS 124  17.763  -1.202 -21.082
  952    HE2  LYS 124           HE2      LYS 124  18.715   0.761 -22.323
  953    HE3  LYS 124           HE3      LYS 124  19.329   1.403 -20.795
  954    HZ1  LYS 124           HZ1      LYS 124  20.674  -0.675 -20.594
  955    HZ2  LYS 124           HZ2      LYS 124  20.093  -1.217 -22.027
  956    HZ3  LYS 124           HZ3      LYS 124  21.029   0.113 -21.979
  957    H    SER 125           H        SER 125  14.805  -3.090 -20.648
  958    HA   SER 125           HA       SER 125  17.283  -4.193 -21.368
  959    HB2  SER 125           HB2      SER 125  14.707  -5.614 -20.602
  960    HB3  SER 125           HB3      SER 125  16.346  -6.285 -20.492
  961    HG   SER 125           HG       SER 125  15.498  -5.316 -18.484
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  12.123  -1.878   4.212
    2    H2   MET   1           H2       MET   1  12.015  -1.036   2.818
    3    H3   MET   1           H3       MET   1  12.262  -0.243   4.219
    4    HA   MET   1           HA       MET   1   9.810  -1.745   3.515
    5    HB2  MET   1           HB2      MET   1  10.414  -0.045   5.989
    6    HB3  MET   1           HB3      MET   1   8.810  -0.624   5.533
    7    HG2  MET   1           HG2      MET   1   9.595  -2.973   5.698
    8    HG3  MET   1           HG3      MET   1  11.172  -2.392   6.246
    9    HE1  MET   1           HE1      MET   1   9.713  -3.985   9.489
   10    HE2  MET   1           HE2      MET   1   9.511  -4.559   7.820
   11    HE3  MET   1           HE3      MET   1  11.087  -3.935   8.365
   12    H    ALA   2           H        ALA   2   7.907  -0.429   3.079
   13    HA   ALA   2           HA       ALA   2   8.469   1.935   1.481
   14    HB1  ALA   2           HB1      ALA   2   6.030   1.860   1.061
   15    HB2  ALA   2           HB2      ALA   2   6.766   0.261   0.848
   16    HB3  ALA   2           HB3      ALA   2   5.842   0.628   2.323
   17    H    SER   3           H        SER   3   7.313   4.006   1.763
   18    HA   SER   3           HA       SER   3   6.439   4.821   4.425
   19    HB2  SER   3           HB2      SER   3   8.935   4.712   4.647
   20    HB3  SER   3           HB3      SER   3   9.069   5.917   3.361
   21    HG   SER   3           HG       SER   3   9.135   6.843   5.497
   22    HA   PRO   4           HA       PRO   4   4.652   7.975   1.696
   23    HB2  PRO   4           HB2      PRO   4   3.393   9.581   3.493
   24    HB3  PRO   4           HB3      PRO   4   2.844   7.910   3.165
   25    HG2  PRO   4           HG2      PRO   4   4.648   8.857   5.419
   26    HG3  PRO   4           HG3      PRO   4   3.175   7.840   5.540
   27    HD2  PRO   4           HD2      PRO   4   5.676   6.770   5.473
   28    HD3  PRO   4           HD3      PRO   4   4.290   5.957   4.683
   29    H    HIS   5           H        HIS   5   4.648  10.438   1.530
   30    HA   HIS   5           HA       HIS   5   5.655  12.452   1.352
   31    HB2  HIS   5           HB2      HIS   5   6.955  11.819   4.027
   32    HB3  HIS   5           HB3      HIS   5   6.666  13.405   3.336
   33    HD1  HIS   5           HD1      HIS   5   3.780  13.798   2.863
   34    HD2  HIS   5           HD2      HIS   5   5.221  11.192   5.837
   35    HE1  HIS   5           HE1      HIS   5   1.872  13.476   4.512
   36    H    GLN   6           H        GLN   6   7.310   9.928   0.523
   37    HA   GLN   6           HA       GLN   6  10.083  10.762   0.503
   38    HB2  GLN   6           HB2      GLN   6   8.494   8.897  -1.321
   39    HB3  GLN   6           HB3      GLN   6  10.233   9.144  -1.444
   40    HG2  GLN   6           HG2      GLN   6  10.574   8.257   0.824
   41    HG3  GLN   6           HG3      GLN   6   8.832   8.034   1.018
   42   HE21  GLN   6          HE22      GLN   6   7.835   6.182   0.047
   43   HE22  GLN   6          HE21      GLN   6   8.741   5.046  -0.958
   44    H    GLU   7           H        GLU   7  11.169  12.167  -0.836
   45    HA   GLU   7           HA       GLU   7   9.694  13.738  -2.816
   46    HB2  GLU   7           HB2      GLU   7  12.615  13.775  -1.987
   47    HB3  GLU   7           HB3      GLU   7  11.889  14.842  -3.196
   48    HG2  GLU   7           HG2      GLU   7  10.306  15.712  -1.493
   49    HG3  GLU   7           HG3      GLU   7  11.041  14.679  -0.270
   50    HA   PRO   8           HA       PRO   8  10.801  10.797  -6.018
   51    HB2  PRO   8           HB2      PRO   8   9.757  11.987  -8.210
   52    HB3  PRO   8           HB3      PRO   8   8.723  11.329  -6.910
   53    HG2  PRO   8           HG2      PRO   8   9.622  14.201  -7.281
   54    HG3  PRO   8           HG3      PRO   8   7.959  13.597  -6.992
   55    HD2  PRO   8           HD2      PRO   8   9.546  14.534  -4.978
   56    HD3  PRO   8           HD3      PRO   8   8.423  13.158  -4.720
   57    H    LYS   9           H        LYS   9  12.362  10.411  -7.484
   58    HA   LYS   9           HA       LYS   9  14.021  12.647  -8.555
   59    HB2  LYS   9           HB2      LYS   9  14.748   9.900  -7.439
   60    HB3  LYS   9           HB3      LYS   9  15.849  10.717  -8.521
   61    HG2  LYS   9           HG2      LYS   9  14.827  11.898  -5.900
   62    HG3  LYS   9           HG3      LYS   9  16.354  11.031  -6.101
   63    HD2  LYS   9           HD2      LYS   9  17.125  12.743  -7.755
   64    HD3  LYS   9           HD3      LYS   9  15.611  13.616  -7.553
   65    HE2  LYS   9           HE2      LYS   9  17.203  14.756  -6.216
   66    HE3  LYS   9           HE3      LYS   9  16.107  13.922  -5.116
   67    HZ1  LYS   9           HZ1      LYS   9  18.827  12.969  -5.878
   68    HZ2  LYS   9           HZ2      LYS   9  18.444  13.678  -4.457
   69    HZ3  LYS   9           HZ3      LYS   9  17.833  12.206  -4.819
   70    HA   PRO  10           HA       PRO  10  13.169  11.387 -12.612
   71    HB2  PRO  10           HB2      PRO  10  15.604  11.151 -13.915
   72    HB3  PRO  10           HB3      PRO  10  14.764  12.680 -13.551
   73    HG2  PRO  10           HG2      PRO  10  16.954  11.345 -11.950
   74    HG3  PRO  10           HG3      PRO  10  16.816  13.066 -12.430
   75    HD2  PRO  10           HD2      PRO  10  16.092  12.292  -9.972
   76    HD3  PRO  10           HD3      PRO  10  15.061  13.450 -10.864
   77    H    GLY  11           H        GLY  11  12.466   9.550 -13.450
   78    HA2  GLY  11           HA2      GLY  11  12.558   7.334 -14.233
   79    HA3  GLY  11           HA3      GLY  11  14.004   7.010 -13.246
   80    H    ASP  12           H        ASP  12  11.888   8.491 -11.128
   81    HA   ASP  12           HA       ASP  12  10.985   5.995  -9.982
   82    HB2  ASP  12           HB2      ASP  12  10.617   8.900  -9.216
   83    HB3  ASP  12           HB3      ASP  12   9.694   7.638  -8.431
   84    H    LEU  13           H        LEU  13   8.924   5.302  -9.590
   85    HA   LEU  13           HA       LEU  13   6.781   6.181 -11.463
   86    HB2  LEU  13           HB2      LEU  13   6.958   3.796  -9.551
   87    HB3  LEU  13           HB3      LEU  13   5.623   4.132 -10.647
   88    HG   LEU  13           HG       LEU  13   8.473   3.406 -11.473
   89   HD11  LEU  13          HD11      LEU  13   7.145   1.518 -10.576
   90   HD12  LEU  13          HD12      LEU  13   5.827   1.902 -11.701
   91   HD13  LEU  13          HD13      LEU  13   7.395   1.354 -12.324
   92   HD21  LEU  13          HD21      LEU  13   5.999   4.079 -13.102
   93   HD22  LEU  13          HD22      LEU  13   7.536   4.953 -13.107
   94   HD23  LEU  13          HD23      LEU  13   7.468   3.318 -13.777
   95    H    ILE  14           H        ILE  14   5.129   7.371 -10.758
   96    HA   ILE  14           HA       ILE  14   4.816   7.803  -7.791
   97    HB   ILE  14           HB       ILE  14   4.230   9.710 -10.095
   98   HG12  ILE  14          HG12      ILE  14   6.218   9.773  -7.772
   99   HG13  ILE  14          HG13      ILE  14   6.603   9.622  -9.492
  100   HG21  ILE  14          HG21      ILE  14   2.437   9.825  -8.348
  101   HG22  ILE  14          HG22      ILE  14   3.679  10.093  -7.110
  102   HG23  ILE  14          HG23      ILE  14   3.390  11.290  -8.397
  103   HD11  ILE  14          HD11      ILE  14   5.477  12.081  -8.097
  104   HD12  ILE  14          HD12      ILE  14   7.084  11.869  -8.785
  105   HD13  ILE  14          HD13      ILE  14   5.678  11.918  -9.868
  106    H    GLU  15           H        GLU  15   2.971   7.224  -6.945
  107    HA   GLU  15           HA       GLU  15   0.711   6.254  -8.635
  108    HB2  GLU  15           HB2      GLU  15   1.685   4.620  -7.083
  109    HB3  GLU  15           HB3      GLU  15   1.521   5.765  -5.742
  110    HG2  GLU  15           HG2      GLU  15  -0.919   5.631  -5.872
  111    HG3  GLU  15           HG3      GLU  15  -0.818   4.631  -7.327
  112    H    ILE  16           H        ILE  16  -1.143   7.388  -8.552
  113    HA   ILE  16           HA       ILE  16  -1.346   9.794  -6.764
  114    HB   ILE  16           HB       ILE  16  -2.350   9.465  -9.624
  115   HG12  ILE  16          HG12      ILE  16   0.053  11.090  -8.668
  116   HG13  ILE  16          HG13      ILE  16   0.172   9.549  -9.511
  117   HG21  ILE  16          HG21      ILE  16  -3.670  11.026  -8.169
  118   HG22  ILE  16          HG22      ILE  16  -2.190  11.926  -7.810
  119   HG23  ILE  16          HG23      ILE  16  -2.842  11.886  -9.464
  120   HD11  ILE  16          HD11      ILE  16  -0.956  10.485 -11.489
  121   HD12  ILE  16          HD12      ILE  16  -0.966  12.087 -10.710
  122   HD13  ILE  16          HD13      ILE  16   0.571  11.288 -11.089
  123    H    PHE  17           H        PHE  17  -3.025   9.736  -5.443
  124    HA   PHE  17           HA       PHE  17  -5.183   7.721  -5.800
  125    HB2  PHE  17           HB2      PHE  17  -4.223   9.334  -3.415
  126    HB3  PHE  17           HB3      PHE  17  -5.672   8.338  -3.401
  127    HD1  PHE  17           HD2      PHE  17  -1.955   8.250  -3.648
  128    HD2  PHE  17           HD1      PHE  17  -5.574   5.932  -3.275
  129    HE1  PHE  17           HE2      PHE  17  -0.619   6.236  -3.116
  130    HE2  PHE  17           HE1      PHE  17  -4.227   3.918  -2.746
  131    HZ   PHE  17           HZ       PHE  17  -1.746   4.063  -2.675
  132    H    ARG  18           H        ARG  18  -6.156   8.901  -7.533
  133    HA   ARG  18           HA       ARG  18  -7.541  11.427  -6.922
  134    HB2  ARG  18           HB2      ARG  18  -8.113   9.546  -9.244
  135    HB3  ARG  18           HB3      ARG  18  -8.545  11.240  -9.086
  136    HG2  ARG  18           HG2      ARG  18  -6.011  11.739  -9.101
  137    HG3  ARG  18           HG3      ARG  18  -5.785  10.057  -9.594
  138    HD2  ARG  18           HD2      ARG  18  -7.293  10.424 -11.535
  139    HD3  ARG  18           HD3      ARG  18  -7.530  12.101 -11.060
  140    HE   ARG  18           HE       ARG  18  -5.297  10.956 -12.489
  141   HH11  ARG  18          HH11      ARG  18  -6.076  13.708 -10.367
  142   HH12  ARG  18          HH12      ARG  18  -4.812  14.684 -11.053
  143   HH21  ARG  18          HH21      ARG  18  -3.746  12.333 -13.357
  144   HH22  ARG  18          HH22      ARG  18  -3.540  13.932 -12.683
  145    H    LEU  19           H        LEU  19  -9.994  11.486  -7.219
  146    HA   LEU  19           HA       LEU  19 -11.370   9.675  -5.458
  147    HB2  LEU  19           HB2      LEU  19 -12.451  11.607  -7.554
  148    HB3  LEU  19           HB3      LEU  19 -13.414  10.803  -6.325
  149    HG   LEU  19           HG       LEU  19 -11.209  12.840  -5.776
  150   HD11  LEU  19          HD11      LEU  19 -14.239  13.070  -5.561
  151   HD12  LEU  19          HD12      LEU  19 -13.057  14.326  -5.127
  152   HD13  LEU  19          HD13      LEU  19 -13.226  13.815  -6.814
  153   HD21  LEU  19          HD21      LEU  19 -11.362  11.282  -3.888
  154   HD22  LEU  19          HD22      LEU  19 -12.089  12.824  -3.440
  155   HD23  LEU  19          HD23      LEU  19 -13.134  11.448  -3.858
  156    H    GLY  20           H        GLY  20 -12.780   7.995  -5.903
  157    HA2  GLY  20           HA2      GLY  20 -13.839   6.293  -7.094
  158    HA3  GLY  20           HA3      GLY  20 -13.266   7.003  -8.620
  159    H    TYR  21           H        TYR  21 -10.750   6.884  -8.806
  160    HA   TYR  21           HA       TYR  21  -9.603   4.342  -7.917
  161    HB2  TYR  21           HB2      TYR  21 -10.032   5.016 -10.854
  162    HB3  TYR  21           HB3      TYR  21  -9.094   3.664 -10.254
  163    HD1  TYR  21           HD2      TYR  21 -10.220   1.788  -8.989
  164    HD2  TYR  21           HD1      TYR  21 -12.431   4.844 -11.077
  165    HE1  TYR  21           HE2      TYR  21 -12.239   0.331  -8.978
  166    HE2  TYR  21           HE1      TYR  21 -14.458   3.402 -11.050
  167    HH   TYR  21           HH       TYR  21 -14.458   0.119  -9.572
  168    H    GLU  22           H        GLU  22  -7.370   4.133  -8.234
  169    HA   GLU  22           HA       GLU  22  -5.826   6.541  -8.135
  170    HB2  GLU  22           HB2      GLU  22  -4.945   3.634  -8.408
  171    HB3  GLU  22           HB3      GLU  22  -3.905   4.993  -8.001
  172    HG2  GLU  22           HG2      GLU  22  -4.375   3.862  -5.976
  173    HG3  GLU  22           HG3      GLU  22  -5.218   5.405  -5.948
  174    H    HIS  23           H        HIS  23  -3.862   6.927  -9.444
  175    HA   HIS  23           HA       HIS  23  -3.742   5.767 -12.140
  176    HB2  HIS  23           HB2      HIS  23  -5.168   7.949 -12.173
  177    HB3  HIS  23           HB3      HIS  23  -3.643   8.792 -11.893
  178    HD1  HIS  23           HD1      HIS  23  -2.509   9.435 -14.219
  179    HD2  HIS  23           HD2      HIS  23  -5.009   6.057 -14.346
  180    HE1  HIS  23           HE1      HIS  23  -2.595   8.686 -16.652
  181    H    TRP  24           H        TRP  24  -1.597   6.736 -13.282
  182    HA   TRP  24           HA       TRP  24   0.574   6.980 -11.243
  183    HB2  TRP  24           HB2      TRP  24   0.336   4.798 -13.351
  184    HB3  TRP  24           HB3      TRP  24   1.812   5.176 -12.475
  185    HD1  TRP  24           HD1      TRP  24   2.137   4.274 -10.104
  186    HE1  TRP  24           HE1      TRP  24   0.845   2.658  -8.581
  187    HE3  TRP  24           HE3      TRP  24  -2.242   3.995 -12.739
  188    HZ2  TRP  24           HZ2      TRP  24  -1.827   1.553  -8.421
  189    HZ3  TRP  24           HZ3      TRP  24  -4.156   2.685 -11.865
  190    HH2  TRP  24           HH2      TRP  24  -3.962   1.458  -9.711
  191    H    ALA  25           H        ALA  25   2.620   7.583 -12.010
  192    HA   ALA  25           HA       ALA  25   2.894   8.624 -14.785
  193    HB1  ALA  25           HB1      ALA  25   1.836  10.458 -13.467
  194    HB2  ALA  25           HB2      ALA  25   3.159  10.370 -12.287
  195    HB3  ALA  25           HB3      ALA  25   3.495  10.873 -13.961
  196    H    LEU  26           H        LEU  26   5.037   9.106 -15.415
  197    HA   LEU  26           HA       LEU  26   7.253   7.933 -13.790
  198    HB2  LEU  26           HB2      LEU  26   6.714   7.359 -16.287
  199    HB3  LEU  26           HB3      LEU  26   7.311   8.947 -16.688
  200    HG   LEU  26           HG       LEU  26   8.999   7.375 -17.159
  201   HD11  LEU  26          HD11      LEU  26   9.762   9.508 -16.042
  202   HD12  LEU  26          HD12      LEU  26   9.936   8.569 -14.535
  203   HD13  LEU  26          HD13      LEU  26  10.902   8.151 -15.951
  204   HD21  LEU  26          HD21      LEU  26   9.934   5.765 -15.590
  205   HD22  LEU  26          HD22      LEU  26   8.898   6.369 -14.287
  206   HD23  LEU  26          HD23      LEU  26   8.181   5.530 -15.685
  207    H    TYR  27           H        TYR  27   8.419   9.408 -12.559
  208    HA   TYR  27           HA       TYR  27   8.173  12.301 -13.122
  209    HB2  TYR  27           HB2      TYR  27   8.070  11.361 -10.837
  210    HB3  TYR  27           HB3      TYR  27   9.730  10.820 -10.983
  211    HD1  TYR  27           HD1      TYR  27   7.518  13.761 -10.534
  212    HD2  TYR  27           HD2      TYR  27  11.577  12.421 -10.966
  213    HE1  TYR  27           HE1      TYR  27   8.317  15.933  -9.635
  214    HE2  TYR  27           HE2      TYR  27  12.392  14.562  -9.979
  215    HH   TYR  27           HH       TYR  27  10.170  17.137  -8.882
  216    H    ILE  28           H        ILE  28   9.672  13.633 -14.028
  217    HA   ILE  28           HA       ILE  28  12.148  12.297 -15.121
  218    HB   ILE  28           HB       ILE  28  11.883  13.646 -17.123
  219   HG12  ILE  28          HG12      ILE  28   9.110  14.475 -16.167
  220   HG13  ILE  28          HG13      ILE  28  10.517  15.518 -15.955
  221   HG21  ILE  28          HG21      ILE  28   9.319  12.089 -16.569
  222   HG22  ILE  28          HG22      ILE  28  10.123  12.357 -18.126
  223   HG23  ILE  28          HG23      ILE  28  10.899  11.351 -16.916
  224   HD11  ILE  28          HD11      ILE  28  10.896  15.559 -18.386
  225   HD12  ILE  28          HD12      ILE  28   9.494  14.497 -18.635
  226   HD13  ILE  28          HD13      ILE  28   9.262  16.119 -17.969
  227    H    GLY  29           H        GLY  29  11.502  14.514 -12.818
  228    HA2  GLY  29           HA2      GLY  29  13.217  15.760 -11.701
  229    HA3  GLY  29           HA3      GLY  29  14.132  15.886 -13.208
  230    H    ASP  30           H        ASP  30  13.870  18.066 -11.735
  231    HA   ASP  30           HA       ASP  30  13.362  20.252 -11.733
  232    HB2  ASP  30           HB2      ASP  30  14.057  19.843 -14.131
  233    HB3  ASP  30           HB3      ASP  30  12.352  19.855 -14.564
  234    H    GLY  31           H        GLY  31  11.130  18.274 -11.060
  235    HA2  GLY  31           HA2      GLY  31   9.046  18.630 -10.006
  236    HA3  GLY  31           HA3      GLY  31   8.902  20.212 -10.803
  237    H    TYR  32           H        TYR  32   9.724  18.047 -13.228
  238    HA   TYR  32           HA       TYR  32   6.892  17.958 -14.092
  239    HB2  TYR  32           HB2      TYR  32   9.532  17.813 -15.560
  240    HB3  TYR  32           HB3      TYR  32   8.028  17.341 -16.329
  241    HD1  TYR  32           HD2      TYR  32   9.774  20.232 -14.747
  242    HD2  TYR  32           HD1      TYR  32   6.455  18.904 -17.154
  243    HE1  TYR  32           HE2      TYR  32   9.243  22.593 -15.314
  244    HE2  TYR  32           HE1      TYR  32   5.914  21.262 -17.721
  245    HH   TYR  32           HH       TYR  32   6.492  23.491 -17.450
  246    H    VAL  33           H        VAL  33   5.944  16.256 -15.140
  247    HA   VAL  33           HA       VAL  33   7.055  13.507 -14.735
  248    HB   VAL  33           HB       VAL  33   4.704  12.743 -14.287
  249   HG11  VAL  33          HG11      VAL  33   4.613  13.340 -11.923
  250   HG12  VAL  33          HG12      VAL  33   6.242  12.882 -12.420
  251   HG13  VAL  33          HG13      VAL  33   5.842  14.600 -12.176
  252   HG21  VAL  33          HG21      VAL  33   2.984  14.247 -13.545
  253   HG22  VAL  33          HG22      VAL  33   4.066  15.650 -13.654
  254   HG23  VAL  33          HG23      VAL  33   3.534  14.825 -15.131
  255    H    ILE  34           H        ILE  34   6.156  11.930 -16.116
  256    HA   ILE  34           HA       ILE  34   4.601  12.908 -18.481
  257    HB   ILE  34           HB       ILE  34   7.021  11.077 -18.407
  258   HG12  ILE  34          HG12      ILE  34   6.183  13.476 -20.111
  259   HG13  ILE  34          HG13      ILE  34   7.279  13.545 -18.734
  260   HG21  ILE  34          HG21      ILE  34   4.904  11.265 -20.618
  261   HG22  ILE  34          HG22      ILE  34   6.474  10.461 -20.792
  262   HG23  ILE  34          HG23      ILE  34   5.298   9.824 -19.655
  263   HD11  ILE  34          HD11      ILE  34   8.529  13.674 -20.792
  264   HD12  ILE  34          HD12      ILE  34   8.924  12.162 -19.955
  265   HD13  ILE  34          HD13      ILE  34   7.852  12.152 -21.367
  266    H    HIS  35           H        HIS  35   2.818  11.693 -18.989
  267    HA   HIS  35           HA       HIS  35   2.124   9.291 -17.408
  268    HB2  HIS  35           HB2      HIS  35   0.296  10.486 -16.222
  269    HB3  HIS  35           HB3      HIS  35   1.843  11.219 -15.830
  270    HD1  HIS  35           HD1      HIS  35  -1.455  12.064 -17.548
  271    HD2  HIS  35           HD2      HIS  35   2.409  13.660 -17.035
  272    HE1  HIS  35           HE1      HIS  35  -1.558  14.499 -18.311
  273    H    LEU  36           H        LEU  36  -0.362   8.830 -17.854
  274    HA   LEU  36           HA       LEU  36  -0.955   9.481 -20.712
  275    HB2  LEU  36           HB2      LEU  36  -2.380   7.595 -18.771
  276    HB3  LEU  36           HB3      LEU  36  -2.783   7.837 -20.466
  277    HG   LEU  36           HG       LEU  36  -0.275   6.534 -19.353
  278   HD11  LEU  36          HD11      LEU  36  -2.541   5.505 -21.106
  279   HD12  LEU  36          HD12      LEU  36  -1.168   4.553 -20.503
  280   HD13  LEU  36          HD13      LEU  36  -2.375   5.196 -19.370
  281   HD21  LEU  36          HD21      LEU  36   0.294   6.073 -21.763
  282   HD22  LEU  36          HD22      LEU  36  -0.973   7.223 -22.242
  283   HD23  LEU  36          HD23      LEU  36   0.441   7.775 -21.308
  284    H    ALA  37           H        ALA  37  -2.814  10.496 -21.318
  285    HA   ALA  37           HA       ALA  37  -4.480  11.869 -19.229
  286    HB1  ALA  37           HB1      ALA  37  -3.341  13.393 -20.720
  287    HB2  ALA  37           HB2      ALA  37  -3.933  12.525 -22.157
  288    HB3  ALA  37           HB3      ALA  37  -5.077  13.388 -21.103
  289    HA   PRO  38           HA       PRO  38  -6.880   8.247 -20.498
  290    HB2  PRO  38           HB2      PRO  38  -8.913   9.479 -18.630
  291    HB3  PRO  38           HB3      PRO  38  -8.398   7.769 -18.765
  292    HG2  PRO  38           HG2      PRO  38  -7.408   9.315 -16.786
  293    HG3  PRO  38           HG3      PRO  38  -6.305   8.241 -17.706
  294    HD2  PRO  38           HD2      PRO  38  -6.772  11.210 -18.072
  295    HD3  PRO  38           HD3      PRO  38  -5.232  10.292 -17.995
  296    HA   PRO  39           HA       PRO  39  -9.703   9.626 -23.621
  297    HB2  PRO  39           HB2      PRO  39 -11.688   7.500 -22.982
  298    HB3  PRO  39           HB3      PRO  39 -10.753   7.760 -24.482
  299    HG2  PRO  39           HG2      PRO  39 -10.192   5.716 -22.748
  300    HG3  PRO  39           HG3      PRO  39  -8.900   6.578 -23.650
  301    HD2  PRO  39           HD2      PRO  39  -9.810   7.018 -20.795
  302    HD3  PRO  39           HD3      PRO  39  -8.155   6.883 -21.443
  303    H    SER  40           H        SER  40 -11.625  10.875 -23.969
  304    HA   SER  40           HA       SER  40 -12.954  11.911 -21.572
  305    HB2  SER  40           HB2      SER  40 -14.094  13.364 -23.256
  306    HB3  SER  40           HB3      SER  40 -12.328  13.430 -23.318
  307    HG   SER  40           HG       SER  40 -12.963  13.202 -25.425
  308    H    GLU  41           H        GLU  41 -13.621   9.468 -23.914
  309    HA   GLU  41           HA       GLU  41 -15.163   7.859 -24.106
  310    HB2  GLU  41           HB2      GLU  41 -15.348   7.956 -21.584
  311    HB3  GLU  41           HB3      GLU  41 -16.774   8.989 -21.791
  312    HG2  GLU  41           HG2      GLU  41 -17.869   7.200 -23.114
  313    HG3  GLU  41           HG3      GLU  41 -16.424   6.199 -22.957
  314    H    TYR  42           H        TYR  42 -16.893  10.838 -23.236
  315    HA   TYR  42           HA       TYR  42 -18.205  10.864 -25.927
  316    HB2  TYR  42           HB2      TYR  42 -19.365  11.796 -23.302
  317    HB3  TYR  42           HB3      TYR  42 -19.971  12.243 -24.895
  318    HD1  TYR  42           HD1      TYR  42 -19.249   9.210 -22.783
  319    HD2  TYR  42           HD2      TYR  42 -21.623  10.939 -25.937
  320    HE1  TYR  42           HE1      TYR  42 -20.630   7.145 -22.873
  321    HE2  TYR  42           HE2      TYR  42 -23.022   8.894 -26.015
  322    HH   TYR  42           HH       TYR  42 -23.380   6.776 -25.163
  323    HA   PRO  43           HA       PRO  43 -15.338  14.422 -25.779
  324    HB2  PRO  43           HB2      PRO  43 -15.850  14.338 -28.742
  325    HB3  PRO  43           HB3      PRO  43 -14.288  14.467 -27.869
  326    HG2  PRO  43           HG2      PRO  43 -15.056  12.121 -28.987
  327    HG3  PRO  43           HG3      PRO  43 -14.309  12.130 -27.365
  328    HD2  PRO  43           HD2      PRO  43 -17.266  12.028 -28.067
  329    HD3  PRO  43           HD3      PRO  43 -16.336  11.007 -26.926
  330    H    GLY  44           H        GLY  44 -15.648  16.618 -25.817
  331    HA2  GLY  44           HA2      GLY  44 -16.544  18.699 -26.213
  332    HA3  GLY  44           HA3      GLY  44 -17.423  17.987 -27.574
  333    H    ALA  45           H        ALA  45 -18.958  19.603 -26.994
  334    HA   ALA  45           HA       ALA  45 -20.667  19.121 -24.618
  335    HB1  ALA  45           HB1      ALA  45 -19.773  21.388 -25.128
  336    HB2  ALA  45           HB2      ALA  45 -20.654  21.372 -26.681
  337    HB3  ALA  45           HB3      ALA  45 -21.543  21.349 -25.145
  338    H    GLY  46           H        GLY  46 -20.670  17.487 -27.321
  339    HA2  GLY  46           HA2      GLY  46 -22.395  16.176 -28.250
  340    HA3  GLY  46           HA3      GLY  46 -23.620  17.307 -27.641
  341    H    SER  47           H        SER  47 -21.198  19.057 -29.189
  342    HA   SER  47           HA       SER  47 -22.712  19.394 -31.711
  343    HB2  SER  47           HB2      SER  47 -21.689  21.292 -30.423
  344    HB3  SER  47           HB3      SER  47 -20.087  20.663 -30.849
  345    HG   SER  47           HG       SER  47 -20.944  22.344 -32.288
  346    H    SER  48           H        SER  48 -20.393  19.801 -33.413
  347    HA   SER  48           HA       SER  48 -20.314  17.450 -34.796
  348    HB2  SER  48           HB2      SER  48 -18.058  19.479 -34.682
  349    HB3  SER  48           HB3      SER  48 -18.407  18.361 -36.012
  350    HG   SER  48           HG       SER  48 -19.279  20.472 -36.411
  351    H    SER  49           H        SER  49 -18.133  18.116 -32.067
  352    HA   SER  49           HA       SER  49 -16.264  16.011 -32.392
  353    HB2  SER  49           HB2      SER  49 -17.430  17.017 -29.773
  354    HB3  SER  49           HB3      SER  49 -15.849  16.262 -30.036
  355    HG   SER  49           HG       SER  49 -15.625  18.548 -29.917
  356    H    VAL  50           H        VAL  50 -19.671  15.771 -31.619
  357    HA   VAL  50           HA       VAL  50 -19.736  13.402 -30.119
  358    HB   VAL  50           HB       VAL  50 -21.630  14.982 -30.603
  359   HG11  VAL  50          HG11      VAL  50 -22.124  13.264 -33.075
  360   HG12  VAL  50          HG12      VAL  50 -23.095  14.625 -32.495
  361   HG13  VAL  50          HG13      VAL  50 -21.470  14.911 -33.134
  362   HG21  VAL  50          HG21      VAL  50 -23.386  13.320 -30.344
  363   HG22  VAL  50          HG22      VAL  50 -22.284  12.030 -30.860
  364   HG23  VAL  50          HG23      VAL  50 -21.975  12.927 -29.351
  365    H    PHE  51           H        PHE  51 -19.011  13.742 -33.527
  366    HA   PHE  51           HA       PHE  51 -19.485  11.133 -34.515
  367    HB2  PHE  51           HB2      PHE  51 -18.829  13.108 -35.847
  368    HB3  PHE  51           HB3      PHE  51 -17.246  13.123 -35.085
  369    HD1  PHE  51           HD1      PHE  51 -19.493  11.182 -37.349
  370    HD2  PHE  51           HD2      PHE  51 -15.469  11.695 -35.881
  371    HE1  PHE  51           HE1      PHE  51 -18.650   9.653 -39.115
  372    HE2  PHE  51           HE2      PHE  51 -14.632  10.169 -37.652
  373    HZ   PHE  51           HZ       PHE  51 -16.220   9.146 -39.272
  374    H    SER  52           H        SER  52 -16.892  12.311 -32.370
  375    HA   SER  52           HA       SER  52 -15.407   9.757 -32.564
  376    HB2  SER  52           HB2      SER  52 -14.820  12.372 -31.150
  377    HB3  SER  52           HB3      SER  52 -13.746  10.958 -31.161
  378    HG   SER  52           HG       SER  52 -13.219  12.487 -32.836
  379    H    VAL  53           H        VAL  53 -18.128  10.295 -30.927
  380    HA   VAL  53           HA       VAL  53 -17.625   9.608 -28.196
  381    HB   VAL  53           HB       VAL  53 -19.970   9.168 -30.051
  382   HG11  VAL  53          HG11      VAL  53 -21.334   8.499 -28.059
  383   HG12  VAL  53          HG12      VAL  53 -20.189   7.273 -28.578
  384   HG13  VAL  53          HG13      VAL  53 -19.821   8.266 -27.146
  385   HG21  VAL  53          HG21      VAL  53 -21.024  10.853 -28.644
  386   HG22  VAL  53          HG22      VAL  53 -19.680  10.803 -27.489
  387   HG23  VAL  53          HG23      VAL  53 -19.423  11.460 -29.102
  388    H    LEU  54           H        LEU  54 -16.965   7.878 -27.236
  389    HA   LEU  54           HA       LEU  54 -16.010   5.916 -26.752
  390    HB2  LEU  54           HB2      LEU  54 -17.829   4.712 -28.876
  391    HB3  LEU  54           HB3      LEU  54 -16.945   3.825 -27.644
  392    HG   LEU  54           HG       LEU  54 -19.195   5.814 -27.122
  393   HD11  LEU  54          HD11      LEU  54 -19.091   2.783 -26.851
  394   HD12  LEU  54          HD12      LEU  54 -20.469   3.828 -26.441
  395   HD13  LEU  54          HD13      LEU  54 -19.940   3.690 -28.126
  396   HD21  LEU  54          HD21      LEU  54 -19.095   5.004 -24.773
  397   HD22  LEU  54          HD22      LEU  54 -17.602   4.112 -25.158
  398   HD23  LEU  54          HD23      LEU  54 -17.642   5.888 -25.233
  399    H    SER  55           H        SER  55 -15.824   6.729 -30.165
  400    HA   SER  55           HA       SER  55 -13.650   4.983 -30.841
  401    HB2  SER  55           HB2      SER  55 -14.369   7.676 -32.062
  402    HB3  SER  55           HB3      SER  55 -13.460   6.358 -32.824
  403    HG   SER  55           HG       SER  55 -15.635   6.296 -33.525
  404    H    ASN  56           H        ASN  56 -13.670   7.933 -29.029
  405    HA   ASN  56           HA       ASN  56 -11.000   8.851 -29.511
  406    HB2  ASN  56           HB2      ASN  56 -11.339  10.186 -27.465
  407    HB3  ASN  56           HB3      ASN  56 -12.665  10.330 -28.614
  408   HD21  ASN  56          HD22      ASN  56 -14.742   9.323 -28.093
  409   HD22  ASN  56          HD21      ASN  56 -15.111   8.924 -26.423
  410    H    SER  57           H        SER  57  -9.200   8.886 -28.030
  411    HA   SER  57           HA       SER  57  -8.812   6.380 -26.439
  412    HB2  SER  57           HB2      SER  57  -7.021   7.496 -28.635
  413    HB3  SER  57           HB3      SER  57  -6.588   6.160 -27.564
  414    HG   SER  57           HG       SER  57  -7.473   5.472 -29.629
  415    H    ALA  58           H        ALA  58  -6.529   6.463 -25.306
  416    HA   ALA  58           HA       ALA  58  -6.301   9.038 -23.858
  417    HB1  ALA  58           HB1      ALA  58  -4.643   7.761 -22.493
  418    HB2  ALA  58           HB2      ALA  58  -6.216   6.964 -22.561
  419    HB3  ALA  58           HB3      ALA  58  -4.868   6.349 -23.553
  420    H    GLU  59           H        GLU  59  -4.119  10.023 -23.611
  421    HA   GLU  59           HA       GLU  59  -2.208   9.426 -25.812
  422    HB2  GLU  59           HB2      GLU  59  -3.685  11.519 -26.286
  423    HB3  GLU  59           HB3      GLU  59  -2.777  12.295 -24.973
  424    HG2  GLU  59           HG2      GLU  59  -0.652  11.835 -26.201
  425    HG3  GLU  59           HG3      GLU  59  -1.555  10.994 -27.461
  426    H    VAL  60           H        VAL  60  -0.038   9.632 -25.285
  427    HA   VAL  60           HA       VAL  60   0.659   9.878 -22.435
  428    HB   VAL  60           HB       VAL  60   2.491   9.853 -24.844
  429   HG11  VAL  60          HG11      VAL  60   4.220   9.112 -23.183
  430   HG12  VAL  60          HG12      VAL  60   3.586  10.704 -22.776
  431   HG13  VAL  60          HG13      VAL  60   3.002   9.300 -21.891
  432   HG21  VAL  60          HG21      VAL  60   1.145   7.729 -24.741
  433   HG22  VAL  60          HG22      VAL  60   2.880   7.507 -24.543
  434   HG23  VAL  60          HG23      VAL  60   1.825   7.439 -23.127
  435    H    LYS  61           H        LYS  61   1.163  11.785 -21.439
  436    HA   LYS  61           HA       LYS  61   2.000  14.159 -23.049
  437    HB2  LYS  61           HB2      LYS  61  -0.356  14.011 -21.130
  438    HB3  LYS  61           HB3      LYS  61   0.379  15.533 -21.636
  439    HG2  LYS  61           HG2      LYS  61  -0.081  14.938 -24.034
  440    HG3  LYS  61           HG3      LYS  61  -0.958  13.499 -23.477
  441    HD2  LYS  61           HD2      LYS  61  -2.521  14.879 -22.226
  442    HD3  LYS  61           HD3      LYS  61  -1.660  16.353 -22.663
  443    HE2  LYS  61           HE2      LYS  61  -3.200  14.500 -24.545
  444    HE3  LYS  61           HE3      LYS  61  -3.734  16.062 -23.932
  445    HZ1  LYS  61           HZ1      LYS  61  -1.693  17.003 -25.104
  446    HZ2  LYS  61           HZ2      LYS  61  -1.587  15.545 -25.895
  447    HZ3  LYS  61           HZ3      LYS  61  -2.903  16.478 -26.068
  448    H    ARG  62           H        ARG  62   2.847  15.920 -21.795
  449    HA   ARG  62           HA       ARG  62   4.350  15.118 -19.324
  450    HB2  ARG  62           HB2      ARG  62   5.763  15.430 -21.340
  451    HB3  ARG  62           HB3      ARG  62   5.058  17.021 -21.604
  452    HG2  ARG  62           HG2      ARG  62   6.068  17.824 -19.473
  453    HG3  ARG  62           HG3      ARG  62   6.782  16.222 -19.213
  454    HD2  ARG  62           HD2      ARG  62   8.128  16.443 -21.246
  455    HD3  ARG  62           HD3      ARG  62   7.319  17.943 -21.690
  456    HE   ARG  62           HE       ARG  62   9.460  17.579 -19.746
  457   HH11  ARG  62          HH11      ARG  62   6.964  19.875 -20.816
  458   HH12  ARG  62          HH12      ARG  62   7.767  21.209 -20.056
  459   HH21  ARG  62          HH21      ARG  62  10.404  19.362 -18.769
  460   HH22  ARG  62          HH22      ARG  62   9.658  20.921 -18.909
  461    H    GLU  63           H        GLU  63   4.102  16.465 -17.524
  462    HA   GLU  63           HA       GLU  63   3.693  19.295 -17.767
  463    HB2  GLU  63           HB2      GLU  63   1.270  17.674 -17.437
  464    HB3  GLU  63           HB3      GLU  63   1.481  18.752 -16.078
  465    HG2  GLU  63           HG2      GLU  63   1.511  19.725 -18.956
  466    HG3  GLU  63           HG3      GLU  63   0.081  19.627 -17.945
  467    H    ARG  64           H        ARG  64   3.245  20.194 -15.442
  468    HA   ARG  64           HA       ARG  64   5.364  19.348 -13.670
  469    HB2  ARG  64           HB2      ARG  64   3.022  21.240 -13.322
  470    HB3  ARG  64           HB3      ARG  64   4.334  21.084 -12.155
  471    HG2  ARG  64           HG2      ARG  64   5.916  22.098 -13.535
  472    HG3  ARG  64           HG3      ARG  64   5.056  21.723 -15.024
  473    HD2  ARG  64           HD2      ARG  64   4.031  23.710 -12.974
  474    HD3  ARG  64           HD3      ARG  64   4.993  24.140 -14.402
  475    HE   ARG  64           HE       ARG  64   2.975  22.640 -15.502
  476   HH11  ARG  64          HH11      ARG  64   2.783  25.526 -13.445
  477   HH12  ARG  64          HH12      ARG  64   1.236  25.965 -14.103
  478   HH21  ARG  64          HH21      ARG  64   1.121  23.237 -16.316
  479   HH22  ARG  64          HH22      ARG  64   0.269  24.649 -15.723
  480    H    LEU  65           H        LEU  65   5.258  18.163 -11.768
  481    HA   LEU  65           HA       LEU  65   3.309  16.178 -11.339
  482    HB2  LEU  65           HB2      LEU  65   5.552  16.103 -10.387
  483    HB3  LEU  65           HB3      LEU  65   5.249  17.530  -9.404
  484    HG   LEU  65           HG       LEU  65   3.632  16.305  -8.018
  485   HD11  LEU  65          HD11      LEU  65   2.740  14.706  -9.711
  486   HD12  LEU  65          HD12      LEU  65   4.297  13.863  -9.720
  487   HD13  LEU  65          HD13      LEU  65   3.300  13.883  -8.250
  488   HD21  LEU  65          HD21      LEU  65   5.251  14.742  -6.977
  489   HD22  LEU  65          HD22      LEU  65   6.270  14.819  -8.423
  490   HD23  LEU  65          HD23      LEU  65   6.026  16.270  -7.425
  491    H    GLU  66           H        GLU  66   3.525  19.306  -9.567
  492    HA   GLU  66           HA       GLU  66   1.206  19.085  -8.018
  493    HB2  GLU  66           HB2      GLU  66   1.964  21.733  -9.299
  494    HB3  GLU  66           HB3      GLU  66   1.217  21.425  -7.729
  495    HG2  GLU  66           HG2      GLU  66   3.403  20.289  -7.071
  496    HG3  GLU  66           HG3      GLU  66   4.061  20.909  -8.604
  497    H    ASP  67           H        ASP  67   1.509  20.499 -11.300
  498    HA   ASP  67           HA       ASP  67  -1.206  21.137 -11.634
  499    HB2  ASP  67           HB2      ASP  67   0.624  22.003 -13.066
  500    HB3  ASP  67           HB3      ASP  67   0.818  20.400 -13.788
  501    H    VAL  68           H        VAL  68   0.534  18.146 -12.447
  502    HA   VAL  68           HA       VAL  68  -1.665  16.829 -13.691
  503    HB   VAL  68           HB       VAL  68   0.957  15.792 -12.588
  504   HG11  VAL  68          HG11      VAL  68   0.494  13.647 -13.780
  505   HG12  VAL  68          HG12      VAL  68  -0.570  13.887 -12.398
  506   HG13  VAL  68          HG13      VAL  68  -1.179  14.172 -14.046
  507   HG21  VAL  68          HG21      VAL  68  -0.204  16.202 -15.389
  508   HG22  VAL  68          HG22      VAL  68   1.093  17.140 -14.629
  509   HG23  VAL  68          HG23      VAL  68   1.365  15.454 -15.058
  510    H    VAL  69           H        VAL  69  -0.408  16.578 -10.258
  511    HA   VAL  69           HA       VAL  69  -2.466  14.697  -9.612
  512    HB   VAL  69           HB       VAL  69  -1.767  14.886  -7.359
  513   HG11  VAL  69          HG11      VAL  69  -0.498  13.464  -8.829
  514   HG12  VAL  69          HG12      VAL  69   0.573  14.796  -9.270
  515   HG13  VAL  69          HG13      VAL  69   0.577  14.168  -7.615
  516   HG21  VAL  69          HG21      VAL  69  -1.355  17.230  -6.981
  517   HG22  VAL  69          HG22      VAL  69   0.124  16.339  -6.631
  518   HG23  VAL  69          HG23      VAL  69  -0.025  17.224  -8.152
  519    H    GLY  70           H        GLY  70  -2.286  18.275  -9.300
  520    HA2  GLY  70           HA2      GLY  70  -3.936  19.818  -8.842
  521    HA3  GLY  70           HA3      GLY  70  -5.135  18.559  -9.163
  522    H    GLY  71           H        GLY  71  -6.490  18.390  -7.500
  523    HA2  GLY  71           HA2      GLY  71  -5.692  18.815  -4.686
  524    HA3  GLY  71           HA3      GLY  71  -7.319  18.465  -5.314
  525    H    CYS  72           H        CYS  72  -5.288  16.171  -6.661
  526    HA   CYS  72           HA       CYS  72  -6.295  14.060  -4.857
  527    HB2  CYS  72           HB2      CYS  72  -4.626  13.854  -7.399
  528    HB3  CYS  72           HB3      CYS  72  -5.454  12.540  -6.557
  529    HG   CYS  72           HG       CYS  72  -6.877  15.314  -7.790
  530    H    CYS  73           H        CYS  73  -4.971  12.596  -3.724
  531    HA   CYS  73           HA       CYS  73  -2.374  13.622  -2.788
  532    HB2  CYS  73           HB2      CYS  73  -3.958  11.100  -2.090
  533    HB3  CYS  73           HB3      CYS  73  -2.487  11.636  -1.269
  534    HG   CYS  73           HG       CYS  73  -3.408  13.989  -0.502
  535    H    TYR  74           H        TYR  74  -0.449  12.104  -2.677
  536    HA   TYR  74           HA       TYR  74  -0.215  10.049  -4.703
  537    HB2  TYR  74           HB2      TYR  74   1.361  11.131  -6.176
  538    HB3  TYR  74           HB3      TYR  74  -0.085  12.101  -6.111
  539    HD1  TYR  74           HD2      TYR  74  -0.096  14.286  -4.870
  540    HD2  TYR  74           HD1      TYR  74   3.498  11.954  -5.365
  541    HE1  TYR  74           HE2      TYR  74   1.276  16.267  -4.242
  542    HE2  TYR  74           HE1      TYR  74   4.870  13.915  -4.714
  543    HH   TYR  74           HH       TYR  74   4.863  16.144  -4.074
  544    H    ARG  75           H        ARG  75   1.970   9.128  -4.912
  545    HA   ARG  75           HA       ARG  75   4.028   9.777  -2.948
  546    HB2  ARG  75           HB2      ARG  75   4.006   7.683  -1.711
  547    HB3  ARG  75           HB3      ARG  75   2.436   8.460  -1.553
  548    HG2  ARG  75           HG2      ARG  75   1.528   6.933  -3.334
  549    HG3  ARG  75           HG3      ARG  75   3.099   6.120  -3.412
  550    HD2  ARG  75           HD2      ARG  75   2.914   5.493  -1.028
  551    HD3  ARG  75           HD3      ARG  75   1.311   6.261  -0.958
  552    HE   ARG  75           HE       ARG  75   1.270   4.432  -3.133
  553   HH11  ARG  75          HH21      ARG  75   1.477   4.134   0.410
  554   HH12  ARG  75          HH22      ARG  75   0.758   2.555   0.367
  555   HH21  ARG  75          HH11      ARG  75   0.389   2.575  -3.119
  556   HH22  ARG  75          HH12      ARG  75   0.132   1.629  -1.651
  557    H    VAL  76           H        VAL  76   6.000   8.413  -3.221
  558    HA   VAL  76           HA       VAL  76   6.326   7.401  -5.993
  559    HB   VAL  76           HB       VAL  76   8.299   7.523  -3.693
  560   HG11  VAL  76          HG11      VAL  76  10.035   6.901  -5.412
  561   HG12  VAL  76          HG12      VAL  76   8.925   5.577  -5.059
  562   HG13  VAL  76          HG13      VAL  76   8.733   6.515  -6.550
  563   HG21  VAL  76          HG21      VAL  76   7.737   9.704  -4.760
  564   HG22  VAL  76          HG22      VAL  76   9.407   9.220  -5.078
  565   HG23  VAL  76          HG23      VAL  76   8.176   9.028  -6.344
  566    H    ASN  77           H        ASN  77   6.156   5.327  -6.575
  567    HA   ASN  77           HA       ASN  77   6.210   3.148  -4.562
  568    HB2  ASN  77           HB2      ASN  77   3.835   3.932  -4.801
  569    HB3  ASN  77           HB3      ASN  77   3.877   3.470  -6.499
  570   HD21  ASN  77          HD22      ASN  77   1.946   2.302  -4.966
  571   HD22  ASN  77          HD21      ASN  77   2.368   0.621  -4.653
  572    H    ASN  78           H        ASN  78   8.324   3.373  -5.816
  573    HA   ASN  78           HA       ASN  78   8.379   2.312  -8.546
  574    HB2  ASN  78           HB2      ASN  78   9.764   4.221  -7.691
  575    HB3  ASN  78           HB3      ASN  78  10.663   3.084  -6.687
  576   HD21  ASN  78          HD22      ASN  78  12.085   4.584  -8.401
  577   HD22  ASN  78          HD21      ASN  78  12.632   3.597  -9.762
  578    H    SER  79           H        SER  79   7.249   0.290  -7.712
  579    HA   SER  79           HA       SER  79   8.537  -1.595  -6.029
  580    HB2  SER  79           HB2      SER  79   6.777  -3.131  -6.940
  581    HB3  SER  79           HB3      SER  79   6.155  -1.584  -6.343
  582    HG   SER  79           HG       SER  79   5.254  -2.151  -8.415
  583    H    LEU  80           H        LEU  80   9.071  -0.995  -9.438
  584    HA   LEU  80           HA       LEU  80   9.686  -3.637 -10.234
  585    HB2  LEU  80           HB2      LEU  80  10.801  -1.130 -11.517
  586    HB3  LEU  80           HB3      LEU  80  10.569  -2.730 -12.241
  587    HG   LEU  80           HG       LEU  80   8.362  -0.807 -11.385
  588   HD11  LEU  80          HD11      LEU  80   7.931  -0.619 -13.788
  589   HD12  LEU  80          HD12      LEU  80   9.572  -0.093 -13.394
  590   HD13  LEU  80          HD13      LEU  80   9.307  -1.683 -14.147
  591   HD21  LEU  80          HD21      LEU  80   6.812  -2.397 -12.526
  592   HD22  LEU  80          HD22      LEU  80   8.147  -3.557 -12.682
  593   HD23  LEU  80          HD23      LEU  80   7.552  -3.091 -11.077
  594    H    ASP  81           H        ASP  81  11.591  -1.578  -8.319
  595    HA   ASP  81           HA       ASP  81  14.255  -2.464  -8.690
  596    HB2  ASP  81           HB2      ASP  81  13.388  -0.713  -7.076
  597    HB3  ASP  81           HB3      ASP  81  12.715  -2.028  -6.093
  598    H    HIS  82           H        HIS  82  11.479  -4.071  -7.217
  599    HA   HIS  82           HA       HIS  82  12.970  -6.379  -6.157
  600    HB2  HIS  82           HB2      HIS  82  11.016  -5.328  -5.049
  601    HB3  HIS  82           HB3      HIS  82  10.012  -5.688  -6.453
  602    HD1  HIS  82           HD1      HIS  82   9.150  -8.190  -6.763
  603    HD2  HIS  82           HD2      HIS  82  11.588  -7.451  -3.404
  604    HE1  HIS  82           HE1      HIS  82   8.917 -10.230  -5.241
  605    H    GLU  83           H        GLU  83  11.724  -5.481  -9.240
  606    HA   GLU  83           HA       GLU  83  10.971  -8.239 -10.042
  607    HB2  GLU  83           HB2      GLU  83  10.484  -5.560 -11.422
  608    HB3  GLU  83           HB3      GLU  83   9.917  -7.138 -11.968
  609    HG2  GLU  83           HG2      GLU  83   9.095  -5.697  -9.412
  610    HG3  GLU  83           HG3      GLU  83   8.117  -5.943 -10.849
  611    H    TYR  84           H        TYR  84  12.955  -5.506 -11.181
  612    HA   TYR  84           HA       TYR  84  14.598  -7.395 -12.829
  613    HB2  TYR  84           HB2      TYR  84  14.118  -4.503 -13.555
  614    HB3  TYR  84           HB3      TYR  84  14.666  -5.817 -14.582
  615    HD1  TYR  84           HD2      TYR  84  12.864  -7.870 -14.737
  616    HD2  TYR  84           HD1      TYR  84  11.942  -3.763 -13.811
  617    HE1  TYR  84           HE2      TYR  84  10.488  -8.270 -15.336
  618    HE2  TYR  84           HE1      TYR  84   9.575  -4.156 -14.400
  619    HH   TYR  84           HH       TYR  84   7.988  -5.695 -15.132
  620    H    GLN  85           H        GLN  85  16.788  -6.667 -13.385
  621    HA   GLN  85           HA       GLN  85  18.252  -5.466 -11.200
  622    HB2  GLN  85           HB2      GLN  85  19.014  -6.330 -14.018
  623    HB3  GLN  85           HB3      GLN  85  20.176  -5.592 -12.928
  624    HG2  GLN  85           HG2      GLN  85  18.612  -8.134 -12.340
  625    HG3  GLN  85           HG3      GLN  85  20.282  -8.078 -12.902
  626   HE21  GLN  85          HE22      GLN  85  19.061  -9.164 -10.303
  627   HE22  GLN  85          HE21      GLN  85  19.989  -8.350  -9.056
  628    HA   PRO  86           HA       PRO  86  18.060  -1.181 -12.088
  629    HB2  PRO  86           HB2      PRO  86  21.077  -1.107 -12.336
  630    HB3  PRO  86           HB3      PRO  86  19.995  -0.020 -11.411
  631    HG2  PRO  86           HG2      PRO  86  21.323  -2.007 -10.139
  632    HG3  PRO  86           HG3      PRO  86  19.591  -1.716  -9.765
  633    HD2  PRO  86           HD2      PRO  86  20.807  -3.814 -11.573
  634    HD3  PRO  86           HD3      PRO  86  19.504  -3.969 -10.355
  635    H    ARG  87           H        ARG  87  18.260   0.546 -13.583
  636    HA   ARG  87           HA       ARG  87  19.463   0.046 -16.211
  637    HB2  ARG  87           HB2      ARG  87  17.221   1.005 -17.246
  638    HB3  ARG  87           HB3      ARG  87  17.501  -0.701 -17.019
  639    HG2  ARG  87           HG2      ARG  87  16.084   0.754 -14.789
  640    HG3  ARG  87           HG3      ARG  87  15.241   0.594 -16.321
  641    HD2  ARG  87           HD2      ARG  87  16.466  -1.760 -14.868
  642    HD3  ARG  87           HD3      ARG  87  14.789  -1.271 -14.666
  643    HE   ARG  87           HE       ARG  87  14.564  -1.544 -17.187
  644   HH11  ARG  87          HH21      ARG  87  16.771  -3.639 -15.338
  645   HH12  ARG  87          HH22      ARG  87  16.740  -4.878 -16.561
  646   HH21  ARG  87          HH11      ARG  87  14.470  -3.297 -18.653
  647   HH22  ARG  87          HH12      ARG  87  15.431  -4.702 -18.349
  648    HA   PRO  88           HA       PRO  88  20.732   4.123 -15.885
  649    HB2  PRO  88           HB2      PRO  88  21.240   4.914 -18.443
  650    HB3  PRO  88           HB3      PRO  88  22.099   3.564 -17.650
  651    HG2  PRO  88           HG2      PRO  88  19.755   3.421 -19.545
  652    HG3  PRO  88           HG3      PRO  88  21.259   2.455 -19.573
  653    HD2  PRO  88           HD2      PRO  88  18.894   1.580 -18.468
  654    HD3  PRO  88           HD3      PRO  88  20.501   1.069 -17.858
  655    H    VAL  89           H        VAL  89  19.760   5.934 -15.256
  656    HA   VAL  89           HA       VAL  89  17.062   6.425 -15.674
  657    HB   VAL  89           HB       VAL  89  18.290   7.198 -13.733
  658   HG11  VAL  89          HG11      VAL  89  20.357   8.095 -14.757
  659   HG12  VAL  89          HG12      VAL  89  19.432   9.447 -15.451
  660   HG13  VAL  89          HG13      VAL  89  19.585   9.275 -13.694
  661   HG21  VAL  89          HG21      VAL  89  17.131   9.277 -13.377
  662   HG22  VAL  89          HG22      VAL  89  16.918   9.534 -15.118
  663   HG23  VAL  89          HG23      VAL  89  16.082   8.186 -14.318
  664    H    GLU  90           H        GLU  90  19.743   7.898 -17.495
  665    HA   GLU  90           HA       GLU  90  18.246   9.872 -18.860
  666    HB2  GLU  90           HB2      GLU  90  20.020   9.668 -20.624
  667    HB3  GLU  90           HB3      GLU  90  20.580  10.041 -19.009
  668    HG2  GLU  90           HG2      GLU  90  20.602   7.142 -19.838
  669    HG3  GLU  90           HG3      GLU  90  21.768   8.231 -20.581
  670    H    VAL  91           H        VAL  91  18.553   6.382 -19.556
  671    HA   VAL  91           HA       VAL  91  17.191   6.613 -22.109
  672    HB   VAL  91           HB       VAL  91  17.757   4.144 -20.450
  673   HG11  VAL  91          HG11      VAL  91  15.902   3.627 -21.951
  674   HG12  VAL  91          HG12      VAL  91  16.754   4.389 -23.316
  675   HG13  VAL  91          HG13      VAL  91  17.385   2.900 -22.587
  676   HG21  VAL  91          HG21      VAL  91  19.556   3.758 -22.129
  677   HG22  VAL  91          HG22      VAL  91  19.169   5.315 -22.896
  678   HG23  VAL  91          HG23      VAL  91  19.818   5.262 -21.244
  679    H    ILE  92           H        ILE  92  16.193   5.935 -18.748
  680    HA   ILE  92           HA       ILE  92  13.453   5.199 -19.359
  681    HB   ILE  92           HB       ILE  92  14.506   6.532 -16.815
  682   HG12  ILE  92          HG12      ILE  92  14.390   3.543 -17.465
  683   HG13  ILE  92          HG13      ILE  92  15.867   4.502 -17.418
  684   HG21  ILE  92          HG21      ILE  92  12.119   4.676 -17.285
  685   HG22  ILE  92          HG22      ILE  92  12.573   5.439 -15.745
  686   HG23  ILE  92          HG23      ILE  92  12.013   6.432 -17.078
  687   HD11  ILE  92          HD11      ILE  92  14.077   3.966 -15.024
  688   HD12  ILE  92          HD12      ILE  92  15.681   3.294 -15.359
  689   HD13  ILE  92          HD13      ILE  92  15.496   5.027 -15.026
  690    H    ILE  93           H        ILE  93  14.887   8.402 -18.440
  691    HA   ILE  93           HA       ILE  93  12.547   9.950 -18.941
  692    HB   ILE  93           HB       ILE  93  15.525  10.409 -18.920
  693   HG12  ILE  93          HG12      ILE  93  15.558  10.804 -16.861
  694   HG13  ILE  93          HG13      ILE  93  14.209  11.955 -16.898
  695   HG21  ILE  93          HG21      ILE  93  13.416  12.582 -19.242
  696   HG22  ILE  93          HG22      ILE  93  15.125  12.889 -18.847
  697   HG23  ILE  93          HG23      ILE  93  14.706  12.166 -20.399
  698   HD11  ILE  93          HD11      ILE  93  14.182   8.993 -16.419
  699   HD12  ILE  93          HD12      ILE  93  13.716  10.299 -15.302
  700   HD13  ILE  93          HD13      ILE  93  12.686   9.925 -16.698
  701    H    SER  94           H        SER  94  15.155   8.907 -21.191
  702    HA   SER  94           HA       SER  94  14.185  10.436 -23.393
  703    HB2  SER  94           HB2      SER  94  15.788   7.854 -23.437
  704    HB3  SER  94           HB3      SER  94  15.530   8.938 -24.810
  705    HG   SER  94           HG       SER  94  16.959   9.457 -22.404
  706    H    SER  95           H        SER  95  13.516   7.054 -22.460
  707    HA   SER  95           HA       SER  95  11.678   6.410 -24.526
  708    HB2  SER  95           HB2      SER  95  11.955   5.510 -21.638
  709    HB3  SER  95           HB3      SER  95  10.774   4.791 -22.755
  710    HG   SER  95           HG       SER  95  12.486   4.058 -24.064
  711    H    ALA  96           H        ALA  96  11.060   7.970 -21.284
  712    HA   ALA  96           HA       ALA  96   8.266   8.234 -21.602
  713    HB1  ALA  96           HB1      ALA  96   9.703   8.534 -19.526
  714    HB2  ALA  96           HB2      ALA  96  10.216  10.102 -20.160
  715    HB3  ALA  96           HB3      ALA  96   8.504   9.807 -19.766
  716    H    LYS  97           H        LYS  97  10.895  10.561 -22.472
  717    HA   LYS  97           HA       LYS  97   9.199  12.549 -23.613
  718    HB2  LYS  97           HB2      LYS  97  12.123  11.803 -23.996
  719    HB3  LYS  97           HB3      LYS  97  11.395  13.201 -24.797
  720    HG2  LYS  97           HG2      LYS  97  10.864  14.265 -22.698
  721    HG3  LYS  97           HG3      LYS  97  11.356  12.835 -21.766
  722    HD2  LYS  97           HD2      LYS  97  13.651  13.049 -22.487
  723    HD3  LYS  97           HD3      LYS  97  13.233  14.362 -23.619
  724    HE2  LYS  97           HE2      LYS  97  12.478  15.760 -21.675
  725    HE3  LYS  97           HE3      LYS  97  13.022  14.494 -20.567
  726    HZ1  LYS  97           HZ1      LYS  97  14.708  16.234 -20.854
  727    HZ2  LYS  97           HZ2      LYS  97  15.302  14.829 -21.452
  728    HZ3  LYS  97           HZ3      LYS  97  14.768  15.996 -22.466
  729    H    GLU  98           H        GLU  98  10.805   9.777 -25.184
  730    HA   GLU  98           HA       GLU  98   9.872  10.360 -27.816
  731    HB2  GLU  98           HB2      GLU  98  10.794   7.796 -26.487
  732    HB3  GLU  98           HB3      GLU  98  10.277   7.836 -28.167
  733    HG2  GLU  98           HG2      GLU  98  12.531   9.566 -27.068
  734    HG3  GLU  98           HG3      GLU  98  12.753   8.007 -27.858
  735    H    MET  99           H        MET  99   8.359   8.525 -25.151
  736    HA   MET  99           HA       MET  99   6.134   7.667 -26.736
  737    HB2  MET  99           HB2      MET  99   6.594   7.764 -23.755
  738    HB3  MET  99           HB3      MET  99   5.129   7.114 -24.506
  739    HG2  MET  99           HG2      MET  99   7.894   6.143 -25.308
  740    HG3  MET  99           HG3      MET  99   7.022   5.424 -23.976
  741    HE1  MET  99           HE1      MET  99   4.424   3.199 -25.439
  742    HE2  MET  99           HE2      MET  99   5.538   3.558 -24.105
  743    HE3  MET  99           HE3      MET  99   4.237   4.705 -24.509
  744    H    VAL 100           H        VAL 100   6.564  10.519 -24.621
  745    HA   VAL 100           HA       VAL 100   4.010  11.624 -24.679
  746    HB   VAL 100           HB       VAL 100   6.649  13.079 -24.960
  747   HG11  VAL 100          HG11      VAL 100   3.890  14.306 -24.486
  748   HG12  VAL 100          HG12      VAL 100   5.432  15.142 -24.252
  749   HG13  VAL 100          HG13      VAL 100   4.959  14.628 -25.872
  750   HG21  VAL 100          HG21      VAL 100   6.094  11.830 -22.829
  751   HG22  VAL 100          HG22      VAL 100   6.350  13.567 -22.633
  752   HG23  VAL 100          HG23      VAL 100   4.698  12.904 -22.628
  753    H    GLY 101           H        GLY 101   2.601  12.386 -26.006
  754    HA2  GLY 101           HA2      GLY 101   1.742  13.444 -27.926
  755    HA3  GLY 101           HA3      GLY 101   3.236  13.090 -28.826
  756    H    GLN 102           H        GLN 102   2.863  10.143 -27.595
  757    HA   GLN 102           HA       GLN 102   1.377   9.195 -29.884
  758    HB2  GLN 102           HB2      GLN 102   2.803   7.661 -27.681
  759    HB3  GLN 102           HB3      GLN 102   2.081   6.966 -29.131
  760    HG2  GLN 102           HG2      GLN 102   3.632   8.359 -30.545
  761    HG3  GLN 102           HG3      GLN 102   4.411   8.946 -29.073
  762   HE21  GLN 102          HE22      GLN 102   6.468   7.945 -29.020
  763   HE22  GLN 102          HE21      GLN 102   6.675   6.220 -29.306
  764    H    LYS 103           H        LYS 103  -0.479   7.995 -29.883
  765    HA   LYS 103           HA       LYS 103  -2.288   8.311 -27.554
  766    HB2  LYS 103           HB2      LYS 103  -2.744   7.772 -30.497
  767    HB3  LYS 103           HB3      LYS 103  -4.014   7.552 -29.281
  768    HG2  LYS 103           HG2      LYS 103  -3.751   9.888 -28.527
  769    HG3  LYS 103           HG3      LYS 103  -2.499  10.157 -29.756
  770    HD2  LYS 103           HD2      LYS 103  -4.094   9.815 -31.557
  771    HD3  LYS 103           HD3      LYS 103  -5.314   9.212 -30.430
  772    HE2  LYS 103           HE2      LYS 103  -5.955  11.425 -30.999
  773    HE3  LYS 103           HE3      LYS 103  -5.412  11.423 -29.309
  774    HZ1  LYS 103           HZ1      LYS 103  -3.656  12.271 -31.557
  775    HZ2  LYS 103           HZ2      LYS 103  -4.586  13.315 -30.713
  776    HZ3  LYS 103           HZ3      LYS 103  -3.404  12.519 -29.937
  777    H    MET 104           H        MET 104  -3.496   6.637 -26.677
  778    HA   MET 104           HA       MET 104  -2.437   3.852 -27.028
  779    HB2  MET 104           HB2      MET 104  -2.788   5.365 -24.397
  780    HB3  MET 104           HB3      MET 104  -2.302   3.675 -24.565
  781    HG2  MET 104           HG2      MET 104  -0.719   6.079 -25.562
  782    HG3  MET 104           HG3      MET 104  -0.395   5.167 -24.089
  783    HE1  MET 104           HE1      MET 104   2.115   5.246 -25.173
  784    HE2  MET 104           HE2      MET 104   2.518   4.485 -26.730
  785    HE3  MET 104           HE3      MET 104   1.480   5.925 -26.691
  786    H    LYS 105           H        LYS 105  -3.866   2.210 -26.706
  787    HA   LYS 105           HA       LYS 105  -6.733   2.793 -26.314
  788    HB2  LYS 105           HB2      LYS 105  -5.181   0.190 -26.677
  789    HB3  LYS 105           HB3      LYS 105  -6.939   0.306 -26.518
  790    HG2  LYS 105           HG2      LYS 105  -7.034   1.749 -28.548
  791    HG3  LYS 105           HG3      LYS 105  -5.276   1.583 -28.739
  792    HD2  LYS 105           HD2      LYS 105  -5.523  -0.873 -28.957
  793    HD3  LYS 105           HD3      LYS 105  -7.286  -0.713 -28.780
  794    HE2  LYS 105           HE2      LYS 105  -7.355   0.731 -30.811
  795    HE3  LYS 105           HE3      LYS 105  -5.599   0.590 -30.973
  796    HZ1  LYS 105           HZ1      LYS 105  -5.890  -1.809 -31.313
  797    HZ2  LYS 105           HZ2      LYS 105  -7.515  -1.678 -31.163
  798    HZ3  LYS 105           HZ3      LYS 105  -6.750  -0.976 -32.427
  799    H    TYR 106           H        TYR 106  -7.463   3.209 -24.332
  800    HA   TYR 106           HA       TYR 106  -5.878   2.466 -21.986
  801    HB2  TYR 106           HB2      TYR 106  -6.815   4.719 -22.628
  802    HB3  TYR 106           HB3      TYR 106  -8.401   4.102 -22.184
  803    HD1  TYR 106           HD2      TYR 106  -5.045   5.096 -20.945
  804    HD2  TYR 106           HD1      TYR 106  -9.030   3.877 -19.829
  805    HE1  TYR 106           HE2      TYR 106  -4.631   5.880 -18.616
  806    HE2  TYR 106           HE1      TYR 106  -8.601   4.614 -17.494
  807    HH   TYR 106           HH       TYR 106  -5.507   6.138 -16.510
  808    H    SER 107           H        SER 107  -8.990   1.435 -23.313
  809    HA   SER 107           HA       SER 107  -9.889   0.203 -20.775
  810    HB2  SER 107           HB2      SER 107 -11.453   1.298 -22.361
  811    HB3  SER 107           HB3      SER 107 -11.131   0.000 -23.532
  812    HG   SER 107           HG       SER 107 -13.005  -0.424 -22.192
  813    H    ILE 108           H        ILE 108  -8.330  -1.316 -20.257
  814    HA   ILE 108           HA       ILE 108  -8.375  -3.885 -21.612
  815    HB   ILE 108           HB       ILE 108  -6.861  -2.798 -23.117
  816   HG12  ILE 108          HG12      ILE 108  -4.730  -4.004 -22.848
  817   HG13  ILE 108          HG13      ILE 108  -5.191  -4.484 -21.216
  818   HG21  ILE 108          HG21      ILE 108  -5.190  -1.857 -20.758
  819   HG22  ILE 108          HG22      ILE 108  -4.782  -1.679 -22.472
  820   HG23  ILE 108          HG23      ILE 108  -6.182  -0.838 -21.835
  821   HD11  ILE 108          HD11      ILE 108  -6.671  -5.227 -23.785
  822   HD12  ILE 108          HD12      ILE 108  -5.556  -6.276 -22.886
  823   HD13  ILE 108          HD13      ILE 108  -7.091  -5.797 -22.151
  824    H    VAL 109           H        VAL 109  -8.133  -5.450 -20.077
  825    HA   VAL 109           HA       VAL 109  -8.128  -4.797 -17.392
  826    HB   VAL 109           HB       VAL 109  -9.036  -6.858 -18.438
  827   HG11  VAL 109          HG11      VAL 109  -6.233  -8.023 -18.148
  828   HG12  VAL 109          HG12      VAL 109  -7.703  -8.877 -18.652
  829   HG13  VAL 109          HG13      VAL 109  -7.022  -7.614 -19.685
  830   HG21  VAL 109          HG21      VAL 109  -8.876  -8.262 -16.492
  831   HG22  VAL 109          HG22      VAL 109  -7.405  -7.446 -15.943
  832   HG23  VAL 109          HG23      VAL 109  -8.953  -6.568 -15.981
  833    H    SER 110           H        SER 110  -5.255  -5.488 -19.303
  834    HA   SER 110           HA       SER 110  -3.378  -5.935 -17.223
  835    HB2  SER 110           HB2      SER 110  -2.874  -4.593 -19.903
  836    HB3  SER 110           HB3      SER 110  -1.718  -5.506 -18.918
  837    HG   SER 110           HG       SER 110  -2.543  -6.811 -20.628
  838    H    ARG 111           H        ARG 111  -5.112  -3.089 -17.699
  839    HA   ARG 111           HA       ARG 111  -5.057  -1.013 -16.833
  840    HB2  ARG 111           HB2      ARG 111  -2.750  -2.004 -15.101
  841    HB3  ARG 111           HB3      ARG 111  -3.587  -0.464 -14.923
  842    HG2  ARG 111           HG2      ARG 111  -5.725  -1.634 -14.484
  843    HG3  ARG 111           HG3      ARG 111  -4.896  -3.206 -14.643
  844    HD2  ARG 111           HD2      ARG 111  -3.376  -2.626 -12.814
  845    HD3  ARG 111           HD3      ARG 111  -4.140  -1.026 -12.660
  846    HE   ARG 111           HE       ARG 111  -6.147  -3.003 -12.349
  847   HH11  ARG 111          HH12      ARG 111  -3.275  -1.813 -10.657
  848   HH12  ARG 111          HH11      ARG 111  -3.908  -2.223  -9.081
  849   HH21  ARG 111          HH21      ARG 111  -6.918  -3.528 -10.284
  850   HH22  ARG 111          HH22      ARG 111  -5.953  -3.198  -8.878
  851    H    ASN 112           H        ASN 112  -4.581  -0.123 -18.824
  852    HA   ASN 112           HA       ASN 112  -2.117   0.019 -20.080
  853    HB2  ASN 112           HB2      ASN 112  -4.312   0.540 -21.087
  854    HB3  ASN 112           HB3      ASN 112  -4.368   2.063 -20.195
  855   HD21  ASN 112          HD22      ASN 112  -1.900   0.346 -22.315
  856   HD22  ASN 112          HD21      ASN 112  -1.582   1.783 -23.263
  857    H    CYS 113           H        CYS 113  -3.260   2.316 -17.576
  858    HA   CYS 113           HA       CYS 113  -1.104   4.192 -17.721
  859    HB2  CYS 113           HB2      CYS 113  -1.912   4.706 -15.359
  860    HB3  CYS 113           HB3      CYS 113  -3.161   4.719 -16.601
  861    HG   CYS 113           HG       CYS 113  -4.292   3.653 -14.550
  862    H    GLU 114           H        GLU 114  -1.434   1.515 -15.338
  863    HA   GLU 114           HA       GLU 114   1.219   1.695 -14.318
  864    HB2  GLU 114           HB2      GLU 114  -0.694  -0.674 -14.441
  865    HB3  GLU 114           HB3      GLU 114   0.890  -0.725 -13.658
  866    HG2  GLU 114           HG2      GLU 114   0.147   1.288 -12.281
  867    HG3  GLU 114           HG3      GLU 114  -1.490   0.971 -12.875
  868    H    HIS 115           H        HIS 115  -0.078  -0.424 -16.943
  869    HA   HIS 115           HA       HIS 115   2.392  -1.703 -17.550
  870    HB2  HIS 115           HB2      HIS 115   0.074  -2.351 -18.322
  871    HB3  HIS 115           HB3      HIS 115   0.128  -1.017 -19.476
  872    HD1  HIS 115           HD1      HIS 115   1.421  -4.553 -18.964
  873    HD2  HIS 115           HD2      HIS 115   1.982  -1.266 -21.534
  874    HE1  HIS 115           HE1      HIS 115   2.680  -5.437 -20.987
  875    H    PHE 116           H        PHE 116   1.013   1.331 -18.983
  876    HA   PHE 116           HA       PHE 116   3.158   1.922 -20.707
  877    HB2  PHE 116           HB2      PHE 116   1.161   3.198 -20.905
  878    HB3  PHE 116           HB3      PHE 116   1.170   3.659 -19.206
  879    HD1  PHE 116           HD2      PHE 116   3.392   3.948 -22.227
  880    HD2  PHE 116           HD1      PHE 116   1.923   5.793 -18.617
  881    HE1  PHE 116           HE2      PHE 116   4.772   5.953 -22.673
  882    HE2  PHE 116           HE1      PHE 116   3.288   7.812 -19.093
  883    HZ   PHE 116           HZ       PHE 116   4.738   7.882 -21.115
  884    H    VAL 117           H        VAL 117   2.739   3.160 -17.307
  885    HA   VAL 117           HA       VAL 117   5.347   4.397 -17.466
  886    HB   VAL 117           HB       VAL 117   5.305   4.804 -15.100
  887   HG11  VAL 117          HG11      VAL 117   4.138   6.346 -16.572
  888   HG12  VAL 117          HG12      VAL 117   2.630   5.397 -16.403
  889   HG13  VAL 117          HG13      VAL 117   3.331   6.222 -15.003
  890   HG21  VAL 117          HG21      VAL 117   2.683   3.266 -14.953
  891   HG22  VAL 117          HG22      VAL 117   4.227   2.686 -14.293
  892   HG23  VAL 117          HG23      VAL 117   3.483   4.144 -13.638
  893    H    THR 118           H        THR 118   4.429   1.125 -16.571
  894    HA   THR 118           HA       THR 118   6.962   0.253 -15.523
  895    HB   THR 118           HB       THR 118   4.788  -1.236 -16.867
  896    HG1  THR 118           HG1      THR 118   4.067  -0.457 -14.988
  897   HG21  THR 118          HG21      THR 118   6.783  -2.629 -17.015
  898   HG22  THR 118          HG22      THR 118   7.177  -2.300 -15.317
  899   HG23  THR 118          HG23      THR 118   5.738  -3.256 -15.734
  900    H    GLN 119           H        GLN 119   5.595   0.164 -18.835
  901    HA   GLN 119           HA       GLN 119   7.794  -1.140 -20.037
  902    HB2  GLN 119           HB2      GLN 119   5.663   0.735 -21.119
  903    HB3  GLN 119           HB3      GLN 119   6.878   0.022 -22.173
  904    HG2  GLN 119           HG2      GLN 119   5.036  -1.669 -20.424
  905    HG3  GLN 119           HG3      GLN 119   4.647  -1.171 -22.063
  906   HE21  GLN 119          HE22      GLN 119   4.485  -3.629 -22.210
  907   HE22  GLN 119          HE21      GLN 119   5.971  -4.467 -22.669
  908    H    LEU 120           H        LEU 120   7.420   2.295 -19.261
  909    HA   LEU 120           HA       LEU 120   9.606   3.270 -20.843
  910    HB2  LEU 120           HB2      LEU 120   8.607   4.254 -18.125
  911    HB3  LEU 120           HB3      LEU 120   9.631   5.165 -19.237
  912    HG   LEU 120           HG       LEU 120   6.754   4.309 -19.760
  913   HD11  LEU 120          HD11      LEU 120   6.298   6.723 -19.582
  914   HD12  LEU 120          HD12      LEU 120   6.987   6.070 -18.097
  915   HD13  LEU 120          HD13      LEU 120   7.997   7.020 -19.214
  916   HD21  LEU 120          HD21      LEU 120   7.830   4.331 -21.905
  917   HD22  LEU 120          HD22      LEU 120   6.976   5.875 -21.741
  918   HD23  LEU 120          HD23      LEU 120   8.733   5.808 -21.499
  919    H    ARG 121           H        ARG 121   9.638   1.638 -17.720
  920    HA   ARG 121           HA       ARG 121  12.597   2.003 -17.478
  921    HB2  ARG 121           HB2      ARG 121  11.132   2.622 -15.586
  922    HB3  ARG 121           HB3      ARG 121  10.583   0.951 -15.450
  923    HG2  ARG 121           HG2      ARG 121  12.817   0.203 -14.829
  924    HG3  ARG 121           HG3      ARG 121  13.528   1.761 -15.249
  925    HD2  ARG 121           HD2      ARG 121  12.208   2.850 -13.432
  926    HD3  ARG 121           HD3      ARG 121  11.516   1.288 -12.992
  927    HE   ARG 121           HE       ARG 121  13.788   0.487 -12.454
  928   HH11  ARG 121          HH11      ARG 121  13.256   4.018 -12.250
  929   HH12  ARG 121          HH12      ARG 121  14.683   4.225 -11.277
  930   HH21  ARG 121          HH21      ARG 121  15.523   0.871 -11.107
  931   HH22  ARG 121          HH22      ARG 121  15.886   2.483 -10.583
  932    H    TYR 122           H        TYR 122  10.137  -0.627 -17.610
  933    HA   TYR 122           HA       TYR 122  12.046  -2.779 -17.520
  934    HB2  TYR 122           HB2      TYR 122   9.726  -3.112 -16.953
  935    HB3  TYR 122           HB3      TYR 122   9.192  -2.568 -18.541
  936    HD1  TYR 122           HD1      TYR 122  11.635  -5.130 -17.180
  937    HD2  TYR 122           HD2      TYR 122   8.446  -4.259 -19.959
  938    HE1  TYR 122           HE1      TYR 122  11.746  -7.458 -18.040
  939    HE2  TYR 122           HE2      TYR 122   8.550  -6.592 -20.813
  940    HH   TYR 122           HH       TYR 122   9.579  -8.654 -20.647
  941    H    GLY 123           H        GLY 123  10.402  -1.205 -20.303
  942    HA2  GLY 123           HA2      GLY 123  11.835  -2.832 -22.290
  943    HA3  GLY 123           HA3      GLY 123  10.512  -1.676 -22.565
  944    H    LYS 124           H        LYS 124  13.525  -0.961 -20.820
  945    HA   LYS 124           HA       LYS 124  14.197   1.333 -22.349
  946    HB2  LYS 124           HB2      LYS 124  16.352   1.230 -21.129
  947    HB3  LYS 124           HB3      LYS 124  14.938   1.113 -20.116
  948    HG2  LYS 124           HG2      LYS 124  16.425  -0.394 -19.165
  949    HG3  LYS 124           HG3      LYS 124  15.279  -1.402 -20.005
  950    HD2  LYS 124           HD2      LYS 124  17.438  -2.347 -20.316
  951    HD3  LYS 124           HD3      LYS 124  16.961  -1.689 -21.868
  952    HE2  LYS 124           HE2      LYS 124  18.343   0.414 -21.257
  953    HE3  LYS 124           HE3      LYS 124  18.934  -0.509 -19.859
  954    HZ1  LYS 124           HZ1      LYS 124  19.750  -2.196 -21.497
  955    HZ2  LYS 124           HZ2      LYS 124  19.280  -1.200 -22.732
  956    HZ3  LYS 124           HZ3      LYS 124  20.468  -0.736 -21.706
  957    H    SER 125           H        SER 125  16.036   1.736 -23.725
  958    HA   SER 125           HA       SER 125  16.056   0.279 -26.078
  959    HB2  SER 125           HB2      SER 125  18.271   2.080 -25.040
  960    HB3  SER 125           HB3      SER 125  17.975   1.634 -26.729
  961    HG   SER 125           HG       SER 125  16.970   3.645 -26.308
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  13.103  17.995  15.032
    2    H2   MET   1           H2       MET   1  14.101  18.272  13.771
    3    H3   MET   1           H3       MET   1  12.636  18.991  13.816
    4    HA   MET   1           HA       MET   1  13.099  16.080  13.565
    5    HB2  MET   1           HB2      MET   1  10.483  17.662  13.501
    6    HB3  MET   1           HB3      MET   1  10.647  15.992  12.965
    7    HG2  MET   1           HG2      MET   1  11.370  15.304  15.227
    8    HG3  MET   1           HG3      MET   1  11.228  16.971  15.782
    9    HE1  MET   1           HE1      MET   1   9.393  13.685  14.814
   10    HE2  MET   1           HE2      MET   1   7.680  14.159  14.798
   11    HE3  MET   1           HE3      MET   1   8.761  14.710  13.502
   12    H    ALA   2           H        ALA   2  12.672  15.143  11.476
   13    HA   ALA   2           HA       ALA   2  13.546  16.796   9.237
   14    HB1  ALA   2           HB1      ALA   2  12.554  13.907   9.358
   15    HB2  ALA   2           HB2      ALA   2  13.406  14.670   8.001
   16    HB3  ALA   2           HB3      ALA   2  14.248  14.432   9.538
   17    H    SER   3           H        SER   3  12.377  16.926   7.172
   18    HA   SER   3           HA       SER   3   9.747  17.979   7.455
   19    HB2  SER   3           HB2      SER   3  11.207  17.137   4.930
   20    HB3  SER   3           HB3      SER   3   9.779  18.186   5.008
   21    HG   SER   3           HG       SER   3  11.769  19.392   4.885
   22    HA   PRO   4           HA       PRO   4   7.300  14.261   6.811
   23    HB2  PRO   4           HB2      PRO   4   4.834  15.304   6.356
   24    HB3  PRO   4           HB3      PRO   4   5.653  15.473   7.940
   25    HG2  PRO   4           HG2      PRO   4   5.573  17.484   5.659
   26    HG3  PRO   4           HG3      PRO   4   5.196  17.766   7.395
   27    HD2  PRO   4           HD2      PRO   4   7.659  18.303   6.326
   28    HD3  PRO   4           HD3      PRO   4   7.464  17.695   8.001
   29    H    HIS   5           H        HIS   5   6.023  13.157   5.204
   30    HA   HIS   5           HA       HIS   5   5.169  12.536   3.214
   31    HB2  HIS   5           HB2      HIS   5   4.612  15.063   3.035
   32    HB3  HIS   5           HB3      HIS   5   5.943  15.141   1.883
   33    HD1  HIS   5           HD1      HIS   5   5.447  14.001  -0.547
   34    HD2  HIS   5           HD2      HIS   5   2.397  13.698   2.346
   35    HE1  HIS   5           HE1      HIS   5   3.362  13.198  -1.774
   36    H    GLN   6           H        GLN   6   5.754  11.794   1.034
   37    HA   GLN   6           HA       GLN   6   8.623  11.184   0.710
   38    HB2  GLN   6           HB2      GLN   6   6.150  10.535  -0.963
   39    HB3  GLN   6           HB3      GLN   6   7.789  10.005  -1.355
   40    HG2  GLN   6           HG2      GLN   6   7.914   8.753   0.787
   41    HG3  GLN   6           HG3      GLN   6   6.251   9.217   1.164
   42   HE21  GLN   6          HE22      GLN   6   7.139   6.433   0.888
   43   HE22  GLN   6          HE21      GLN   6   6.314   5.808  -0.534
   44    H    GLU   7           H        GLU   7   9.864  11.788  -1.154
   45    HA   GLU   7           HA       GLU   7   8.756  13.948  -2.870
   46    HB2  GLU   7           HB2      GLU   7  11.528  13.885  -1.615
   47    HB3  GLU   7           HB3      GLU   7  11.038  14.958  -2.937
   48    HG2  GLU   7           HG2      GLU   7   9.256  15.921  -1.487
   49    HG3  GLU   7           HG3      GLU   7   9.811  14.910  -0.149
   50    HA   PRO   8           HA       PRO   8  10.235  10.859  -5.783
   51    HB2  PRO   8           HB2      PRO   8   9.332  11.883  -8.108
   52    HB3  PRO   8           HB3      PRO   8   8.209  11.318  -6.835
   53    HG2  PRO   8           HG2      PRO   8   9.135  14.167  -7.347
   54    HG3  PRO   8           HG3      PRO   8   7.451  13.575  -7.153
   55    HD2  PRO   8           HD2      PRO   8   8.881  14.647  -5.080
   56    HD3  PRO   8           HD3      PRO   8   7.721  13.310  -4.830
   57    H    LYS   9           H        LYS   9  11.847  10.470  -7.246
   58    HA   LYS   9           HA       LYS   9  13.568  12.702  -8.205
   59    HB2  LYS   9           HB2      LYS   9  14.292  10.028  -6.927
   60    HB3  LYS   9           HB3      LYS   9  15.469  10.912  -7.879
   61    HG2  LYS   9           HG2      LYS   9  14.083  12.001  -5.392
   62    HG3  LYS   9           HG3      LYS   9  15.704  11.294  -5.450
   63    HD2  LYS   9           HD2      LYS   9  16.384  13.078  -7.105
   64    HD3  LYS   9           HD3      LYS   9  14.812  13.859  -6.865
   65    HE2  LYS   9           HE2      LYS   9  15.274  14.047  -4.423
   66    HE3  LYS   9           HE3      LYS   9  16.843  13.266  -4.654
   67    HZ1  LYS   9           HZ1      LYS   9  17.066  15.671  -4.573
   68    HZ2  LYS   9           HZ2      LYS   9  17.507  15.155  -6.058
   69    HZ3  LYS   9           HZ3      LYS   9  16.051  15.882  -5.837
   70    HA   PRO  10           HA       PRO  10  13.520  11.391 -12.375
   71    HB2  PRO  10           HB2      PRO  10  16.460  10.727 -12.031
   72    HB3  PRO  10           HB3      PRO  10  15.650  11.499 -13.427
   73    HG2  PRO  10           HG2      PRO  10  16.864  13.056 -11.615
   74    HG3  PRO  10           HG3      PRO  10  15.210  13.492 -12.161
   75    HD2  PRO  10           HD2      PRO  10  16.069  12.102  -9.624
   76    HD3  PRO  10           HD3      PRO  10  14.841  13.382  -9.849
   77    H    GLY  11           H        GLY  11  12.608   9.589 -13.185
   78    HA2  GLY  11           HA2      GLY  11  12.505   7.381 -13.937
   79    HA3  GLY  11           HA3      GLY  11  13.905   6.947 -12.922
   80    H    ASP  12           H        ASP  12  11.739   8.494 -10.857
   81    HA   ASP  12           HA       ASP  12  10.765   6.006  -9.758
   82    HB2  ASP  12           HB2      ASP  12  10.286   8.920  -9.076
   83    HB3  ASP  12           HB3      ASP  12   9.362   7.645  -8.321
   84    H    LEU  13           H        LEU  13   8.726   5.221  -9.602
   85    HA   LEU  13           HA       LEU  13   6.684   6.152 -11.565
   86    HB2  LEU  13           HB2      LEU  13   6.819   3.660  -9.770
   87    HB3  LEU  13           HB3      LEU  13   5.460   4.100 -10.779
   88    HG   LEU  13           HG       LEU  13   6.459   2.477 -12.016
   89   HD11  LEU  13          HD11      LEU  13   7.261   3.485 -14.029
   90   HD12  LEU  13          HD12      LEU  13   6.114   4.629 -13.286
   91   HD13  LEU  13          HD13      LEU  13   7.861   4.911 -13.156
   92   HD21  LEU  13          HD21      LEU  13   8.536   2.144 -10.783
   93   HD22  LEU  13          HD22      LEU  13   8.845   2.214 -12.518
   94   HD23  LEU  13          HD23      LEU  13   9.239   3.615 -11.505
   95    H    ILE  14           H        ILE  14   5.101   7.467 -10.888
   96    HA   ILE  14           HA       ILE  14   4.653   7.791  -7.932
   97    HB   ILE  14           HB       ILE  14   4.063   9.722 -10.219
   98   HG12  ILE  14          HG12      ILE  14   6.102   9.768  -7.941
   99   HG13  ILE  14          HG13      ILE  14   6.450   9.638  -9.668
  100   HG21  ILE  14          HG21      ILE  14   2.307   9.792  -8.437
  101   HG22  ILE  14          HG22      ILE  14   3.577  10.027  -7.216
  102   HG23  ILE  14          HG23      ILE  14   3.258  11.261  -8.458
  103   HD11  ILE  14          HD11      ILE  14   5.447  11.930  -9.983
  104   HD12  ILE  14          HD12      ILE  14   5.354  12.059  -8.200
  105   HD13  ILE  14          HD13      ILE  14   6.914  11.885  -8.983
  106    H    GLU  15           H        GLU  15   2.753   7.229  -7.173
  107    HA   GLU  15           HA       GLU  15   0.614   6.180  -8.971
  108    HB2  GLU  15           HB2      GLU  15   1.759   4.503  -7.631
  109    HB3  GLU  15           HB3      GLU  15   1.526   5.438  -6.158
  110    HG2  GLU  15           HG2      GLU  15  -0.853   5.055  -6.178
  111    HG3  GLU  15           HG3      GLU  15  -0.794   4.371  -7.808
  112    H    ILE  16           H        ILE  16  -1.306   7.166  -8.795
  113    HA   ILE  16           HA       ILE  16  -1.661   9.354  -6.772
  114    HB   ILE  16           HB       ILE  16  -2.400   9.376  -9.725
  115   HG12  ILE  16          HG12      ILE  16  -0.080  10.772  -8.315
  116   HG13  ILE  16          HG13      ILE  16   0.063   9.442  -9.464
  117   HG21  ILE  16          HG21      ILE  16  -2.418  11.637  -7.671
  118   HG22  ILE  16          HG22      ILE  16  -2.951  11.737  -9.365
  119   HG23  ILE  16          HG23      ILE  16  -3.857  10.756  -8.223
  120   HD11  ILE  16          HD11      ILE  16  -0.881  12.250 -10.100
  121   HD12  ILE  16          HD12      ILE  16   0.621  11.454 -10.601
  122   HD13  ILE  16          HD13      ILE  16  -0.930  10.880 -11.242
  123    H    PHE  17           H        PHE  17  -3.441   9.200  -5.627
  124    HA   PHE  17           HA       PHE  17  -5.591   7.305  -6.326
  125    HB2  PHE  17           HB2      PHE  17  -5.238   9.071  -3.878
  126    HB3  PHE  17           HB3      PHE  17  -6.413   7.782  -4.074
  127    HD1  PHE  17           HD2      PHE  17  -5.609   5.378  -4.273
  128    HD2  PHE  17           HD1      PHE  17  -2.999   8.612  -3.121
  129    HE1  PHE  17           HE2      PHE  17  -3.993   3.744  -3.332
  130    HE2  PHE  17           HE1      PHE  17  -1.393   6.983  -2.172
  131    HZ   PHE  17           HZ       PHE  17  -1.890   4.538  -2.276
  132    H    ARG  18           H        ARG  18  -7.503   7.907  -7.091
  133    HA   ARG  18           HA       ARG  18  -8.418  10.738  -7.148
  134    HB2  ARG  18           HB2      ARG  18  -8.144   8.847  -9.545
  135    HB3  ARG  18           HB3      ARG  18  -9.093  10.336  -9.570
  136    HG2  ARG  18           HG2      ARG  18  -7.076  11.639  -8.989
  137    HG3  ARG  18           HG3      ARG  18  -6.089  10.171  -9.085
  138    HD2  ARG  18           HD2      ARG  18  -6.620   9.898 -11.435
  139    HD3  ARG  18           HD3      ARG  18  -7.755  11.264 -11.389
  140    HE   ARG  18           HE       ARG  18  -5.443  12.418 -10.509
  141   HH11  ARG  18          HH11      ARG  18  -6.244  10.669 -13.492
  142   HH12  ARG  18          HH12      ARG  18  -5.073  11.536 -14.425
  143   HH21  ARG  18          HH21      ARG  18  -3.972  13.554 -11.798
  144   HH22  ARG  18          HH22      ARG  18  -3.849  13.176 -13.487
  145    H    LEU  19           H        LEU  19 -10.783  10.752  -8.005
  146    HA   LEU  19           HA       LEU  19 -12.485   8.979  -6.568
  147    HB2  LEU  19           HB2      LEU  19 -13.026  11.283  -7.328
  148    HB3  LEU  19           HB3      LEU  19 -13.070  10.742  -8.993
  149    HG   LEU  19           HG       LEU  19 -15.271  11.141  -7.923
  150   HD11  LEU  19          HD11      LEU  19 -15.054   9.616  -9.892
  151   HD12  LEU  19          HD12      LEU  19 -15.047   8.232  -8.774
  152   HD13  LEU  19          HD13      LEU  19 -16.455   9.292  -8.857
  153   HD21  LEU  19          HD21      LEU  19 -14.738  10.277  -5.653
  154   HD22  LEU  19          HD22      LEU  19 -16.234   9.597  -6.320
  155   HD23  LEU  19          HD23      LEU  19 -14.761   8.617  -6.294
  156    H    GLY  20           H        GLY  20 -12.988   6.895  -6.982
  157    HA2  GLY  20           HA2      GLY  20 -13.447   4.922  -8.189
  158    HA3  GLY  20           HA3      GLY  20 -13.009   5.735  -9.705
  159    H    TYR  21           H        TYR  21 -11.355   4.663 -10.555
  160    HA   TYR  21           HA       TYR  21  -9.410   3.192  -9.004
  161    HB2  TYR  21           HB2      TYR  21  -9.634   3.737 -11.982
  162    HB3  TYR  21           HB3      TYR  21  -8.452   2.663 -11.248
  163    HD1  TYR  21           HD2      TYR  21  -9.166   0.578 -10.061
  164    HD2  TYR  21           HD1      TYR  21 -11.942   3.007 -12.295
  165    HE1  TYR  21           HE2      TYR  21 -10.790  -1.306 -10.077
  166    HE2  TYR  21           HE1      TYR  21 -13.572   1.123 -12.311
  167    HH   TYR  21           HH       TYR  21 -12.888  -2.024 -10.727
  168    H    GLU  22           H        GLU  22  -7.191   3.441  -8.923
  169    HA   GLU  22           HA       GLU  22  -6.048   6.043  -8.732
  170    HB2  GLU  22           HB2      GLU  22  -4.611   3.371  -8.996
  171    HB3  GLU  22           HB3      GLU  22  -3.957   4.869  -8.355
  172    HG2  GLU  22           HG2      GLU  22  -4.439   3.930  -6.375
  173    HG3  GLU  22           HG3      GLU  22  -6.037   4.610  -6.656
  174    H    HIS  23           H        HIS  23  -3.966   6.638  -9.807
  175    HA   HIS  23           HA       HIS  23  -3.748   5.943 -12.690
  176    HB2  HIS  23           HB2      HIS  23  -5.195   8.010 -12.290
  177    HB3  HIS  23           HB3      HIS  23  -3.768   8.807 -11.632
  178    HD1  HIS  23           HD1      HIS  23  -2.044   9.738 -13.491
  179    HD2  HIS  23           HD2      HIS  23  -5.192   7.341 -14.927
  180    HE1  HIS  23           HE1      HIS  23  -1.993   9.910 -16.038
  181    H    TRP  24           H        TRP  24  -1.567   6.782 -13.611
  182    HA   TRP  24           HA       TRP  24   0.564   6.906 -11.523
  183    HB2  TRP  24           HB2      TRP  24   0.401   4.829 -13.742
  184    HB3  TRP  24           HB3      TRP  24   1.828   5.158 -12.770
  185    HD1  TRP  24           HD1      TRP  24   2.027   4.158 -10.421
  186    HE1  TRP  24           HE1      TRP  24   0.589   2.555  -8.975
  187    HE3  TRP  24           HE3      TRP  24  -2.197   3.983 -13.313
  188    HZ2  TRP  24           HZ2      TRP  24  -1.994   1.323  -9.115
  189    HZ3  TRP  24           HZ3      TRP  24  -4.137   2.593 -12.631
  190    HH2  TRP  24           HH2      TRP  24  -4.052   1.276 -10.530
  191    H    ALA  25           H        ALA  25   2.591   7.634 -12.189
  192    HA   ALA  25           HA       ALA  25   2.913   8.795 -14.916
  193    HB1  ALA  25           HB1      ALA  25   1.829  10.546 -13.508
  194    HB2  ALA  25           HB2      ALA  25   3.163  10.424 -12.337
  195    HB3  ALA  25           HB3      ALA  25   3.476  10.989 -13.990
  196    H    LEU  26           H        LEU  26   5.069   9.292 -15.484
  197    HA   LEU  26           HA       LEU  26   7.231   7.970 -13.897
  198    HB2  LEU  26           HB2      LEU  26   6.674   7.389 -16.374
  199    HB3  LEU  26           HB3      LEU  26   7.268   8.971 -16.801
  200    HG   LEU  26           HG       LEU  26   8.892   7.274 -17.274
  201   HD11  LEU  26          HD11      LEU  26   9.725   9.486 -16.491
  202   HD12  LEU  26          HD12      LEU  26   9.973   8.783 -14.872
  203   HD13  LEU  26          HD13      LEU  26  10.869   8.151 -16.264
  204   HD21  LEU  26          HD21      LEU  26   9.913   5.831 -15.607
  205   HD22  LEU  26          HD22      LEU  26   8.972   6.581 -14.311
  206   HD23  LEU  26          HD23      LEU  26   8.156   5.613 -15.567
  207    H    TYR  27           H        TYR  27   8.423   9.388 -12.625
  208    HA   TYR  27           HA       TYR  27   8.207  12.289 -13.140
  209    HB2  TYR  27           HB2      TYR  27   8.016  11.305 -10.880
  210    HB3  TYR  27           HB3      TYR  27   9.691  10.779 -10.967
  211    HD1  TYR  27           HD1      TYR  27   7.436  13.717 -10.622
  212    HD2  TYR  27           HD2      TYR  27  11.515  12.392 -10.817
  213    HE1  TYR  27           HE1      TYR  27   8.187  15.925  -9.756
  214    HE2  TYR  27           HE2      TYR  27  12.275  14.548  -9.818
  215    HH   TYR  27           HH       TYR  27  11.630  16.612  -9.005
  216    H    ILE  28           H        ILE  28   9.673  13.615 -14.033
  217    HA   ILE  28           HA       ILE  28  12.177  12.306 -15.076
  218    HB   ILE  28           HB       ILE  28  11.985  13.629 -17.045
  219   HG12  ILE  28          HG12      ILE  28   9.353  14.784 -16.049
  220   HG13  ILE  28          HG13      ILE  28  10.884  15.668 -15.974
  221   HG21  ILE  28          HG21      ILE  28  10.139  12.511 -18.058
  222   HG22  ILE  28          HG22      ILE  28  10.716  11.454 -16.777
  223   HG23  ILE  28          HG23      ILE  28   9.232  12.403 -16.541
  224   HD11  ILE  28          HD11      ILE  28  11.115  15.410 -18.455
  225   HD12  ILE  28          HD12      ILE  28   9.496  14.670 -18.488
  226   HD13  ILE  28          HD13      ILE  28   9.691  16.349 -17.958
  227    H    GLY  29           H        GLY  29  11.464  14.506 -12.744
  228    HA2  GLY  29           HA2      GLY  29  13.174  15.709 -11.535
  229    HA3  GLY  29           HA3      GLY  29  14.122  15.873 -13.017
  230    H    ASP  30           H        ASP  30  13.804  18.013 -11.494
  231    HA   ASP  30           HA       ASP  30  13.326  20.202 -11.483
  232    HB2  ASP  30           HB2      ASP  30  14.122  19.781 -13.852
  233    HB3  ASP  30           HB3      ASP  30  12.433  19.853 -14.367
  234    H    GLY  31           H        GLY  31  11.028  18.272 -10.925
  235    HA2  GLY  31           HA2      GLY  31   8.926  18.638  -9.966
  236    HA3  GLY  31           HA3      GLY  31   8.860  20.264 -10.682
  237    H    TYR  32           H        TYR  32   9.691  17.987 -13.082
  238    HA   TYR  32           HA       TYR  32   6.882  17.992 -14.077
  239    HB2  TYR  32           HB2      TYR  32   9.566  17.844 -15.473
  240    HB3  TYR  32           HB3      TYR  32   8.072  17.436 -16.291
  241    HD1  TYR  32           HD2      TYR  32   9.947  20.205 -14.678
  242    HD2  TYR  32           HD1      TYR  32   6.466  19.104 -16.964
  243    HE1  TYR  32           HE2      TYR  32   9.509  22.601 -15.150
  244    HE2  TYR  32           HE1      TYR  32   6.022  21.508 -17.454
  245    HH   TYR  32           HH       TYR  32   8.134  24.130 -16.205
  246    H    VAL  33           H        VAL  33   5.976  16.275 -15.138
  247    HA   VAL  33           HA       VAL  33   7.120  13.531 -14.754
  248    HB   VAL  33           HB       VAL  33   4.776  12.733 -14.398
  249   HG11  VAL  33          HG11      VAL  33   6.244  12.866 -12.492
  250   HG12  VAL  33          HG12      VAL  33   5.801  14.571 -12.218
  251   HG13  VAL  33          HG13      VAL  33   4.593  13.277 -12.028
  252   HG21  VAL  33          HG21      VAL  33   4.044  15.599 -13.704
  253   HG22  VAL  33          HG22      VAL  33   3.600  14.827 -15.241
  254   HG23  VAL  33          HG23      VAL  33   3.002  14.168 -13.703
  255    H    ILE  34           H        ILE  34   6.242  11.953 -16.183
  256    HA   ILE  34           HA       ILE  34   4.765  12.984 -18.581
  257    HB   ILE  34           HB       ILE  34   7.091  11.038 -18.433
  258   HG12  ILE  34          HG12      ILE  34   6.426  13.458 -20.177
  259   HG13  ILE  34          HG13      ILE  34   7.472  13.480 -18.765
  260   HG21  ILE  34          HG21      ILE  34   5.347   9.844 -19.720
  261   HG22  ILE  34          HG22      ILE  34   5.006  11.301 -20.674
  262   HG23  ILE  34          HG23      ILE  34   6.544  10.447 -20.854
  263   HD11  ILE  34          HD11      ILE  34   8.056  12.052 -21.385
  264   HD12  ILE  34          HD12      ILE  34   8.824  13.509 -20.752
  265   HD13  ILE  34          HD13      ILE  34   9.065  11.959 -19.929
  266    H    HIS  35           H        HIS  35   2.922  11.851 -19.129
  267    HA   HIS  35           HA       HIS  35   2.122   9.423 -17.667
  268    HB2  HIS  35           HB2      HIS  35   0.356  10.561 -16.395
  269    HB3  HIS  35           HB3      HIS  35   1.904  11.278 -15.976
  270    HD1  HIS  35           HD1      HIS  35  -1.427  12.200 -17.561
  271    HD2  HIS  35           HD2      HIS  35   2.453  13.772 -17.131
  272    HE1  HIS  35           HE1      HIS  35  -1.562  14.665 -18.201
  273    H    LEU  36           H        LEU  36  -0.304   8.972 -18.189
  274    HA   LEU  36           HA       LEU  36  -0.952   9.853 -20.961
  275    HB2  LEU  36           HB2      LEU  36  -1.971   7.678 -19.096
  276    HB3  LEU  36           HB3      LEU  36  -2.934   8.171 -20.472
  277    HG   LEU  36           HG       LEU  36  -0.059   7.232 -20.784
  278   HD11  LEU  36          HD11      LEU  36  -1.397   5.437 -19.761
  279   HD12  LEU  36          HD12      LEU  36  -2.636   5.607 -21.021
  280   HD13  LEU  36          HD13      LEU  36  -1.001   5.036 -21.435
  281   HD21  LEU  36          HD21      LEU  36  -0.798   6.805 -23.134
  282   HD22  LEU  36          HD22      LEU  36  -2.387   7.474 -22.753
  283   HD23  LEU  36          HD23      LEU  36  -0.954   8.509 -22.700
  284    H    ALA  37           H        ALA  37  -2.821  10.962 -21.450
  285    HA   ALA  37           HA       ALA  37  -4.489  12.028 -19.198
  286    HB1  ALA  37           HB1      ALA  37  -3.673  13.336 -21.821
  287    HB2  ALA  37           HB2      ALA  37  -4.783  14.035 -20.619
  288    HB3  ALA  37           HB3      ALA  37  -3.082  13.749 -20.192
  289    HA   PRO  38           HA       PRO  38  -7.502   9.739 -21.752
  290    HB2  PRO  38           HB2      PRO  38  -9.514   9.478 -19.931
  291    HB3  PRO  38           HB3      PRO  38  -7.987   8.551 -19.801
  292    HG2  PRO  38           HG2      PRO  38  -8.731  11.139 -18.395
  293    HG3  PRO  38           HG3      PRO  38  -8.063   9.638 -17.670
  294    HD2  PRO  38           HD2      PRO  38  -6.492  11.765 -18.355
  295    HD3  PRO  38           HD3      PRO  38  -5.911  10.078 -18.499
  296    HA   PRO  39           HA       PRO  39 -10.145  13.056 -23.151
  297    HB2  PRO  39           HB2      PRO  39 -12.309  11.781 -24.211
  298    HB3  PRO  39           HB3      PRO  39 -10.669  11.662 -24.914
  299    HG2  PRO  39           HG2      PRO  39 -12.028   9.707 -23.037
  300    HG3  PRO  39           HG3      PRO  39 -11.175   9.353 -24.578
  301    HD2  PRO  39           HD2      PRO  39  -9.931   9.099 -22.168
  302    HD3  PRO  39           HD3      PRO  39  -9.058   9.702 -23.599
  303    H    SER  40           H        SER  40 -11.369  10.925 -20.669
  304    HA   SER  40           HA       SER  40 -12.558  11.272 -18.787
  305    HB2  SER  40           HB2      SER  40 -12.446  14.204 -19.553
  306    HB3  SER  40           HB3      SER  40 -12.985  13.564 -17.998
  307    HG   SER  40           HG       SER  40 -10.739  14.185 -17.997
  308    H    GLU  41           H        GLU  41 -14.032  12.315 -21.723
  309    HA   GLU  41           HA       GLU  41 -16.725  11.628 -20.634
  310    HB2  GLU  41           HB2      GLU  41 -16.068  13.986 -22.459
  311    HB3  GLU  41           HB3      GLU  41 -17.696  13.380 -22.122
  312    HG2  GLU  41           HG2      GLU  41 -17.341  13.843 -19.690
  313    HG3  GLU  41           HG3      GLU  41 -15.770  14.560 -20.075
  314    H    TYR  42           H        TYR  42 -17.856  10.256 -21.894
  315    HA   TYR  42           HA       TYR  42 -16.551   8.954 -24.110
  316    HB2  TYR  42           HB2      TYR  42 -18.083   7.965 -22.316
  317    HB3  TYR  42           HB3      TYR  42 -19.436   8.647 -23.202
  318    HD1  TYR  42           HD1      TYR  42 -16.665   6.173 -23.265
  319    HD2  TYR  42           HD2      TYR  42 -20.195   7.603 -25.290
  320    HE1  TYR  42           HE1      TYR  42 -16.646   4.156 -24.720
  321    HE2  TYR  42           HE2      TYR  42 -20.188   5.596 -26.735
  322    HH   TYR  42           HH       TYR  42 -17.685   3.021 -26.435
  323    HA   PRO  43           HA       PRO  43 -18.015  11.485 -27.447
  324    HB2  PRO  43           HB2      PRO  43 -18.163   9.696 -29.568
  325    HB3  PRO  43           HB3      PRO  43 -16.653  10.398 -28.910
  326    HG2  PRO  43           HG2      PRO  43 -17.924   7.727 -28.236
  327    HG3  PRO  43           HG3      PRO  43 -16.209   8.077 -28.654
  328    HD2  PRO  43           HD2      PRO  43 -16.960   7.820 -26.093
  329    HD3  PRO  43           HD3      PRO  43 -15.825   9.119 -26.550
  330    H    GLY  44           H        GLY  44 -19.734  11.899 -28.957
  331    HA2  GLY  44           HA2      GLY  44 -22.033  11.513 -29.722
  332    HA3  GLY  44           HA3      GLY  44 -22.402  10.743 -28.172
  333    H    ALA  45           H        ALA  45 -23.526  13.154 -29.594
  334    HA   ALA  45           HA       ALA  45 -22.614  15.537 -28.263
  335    HB1  ALA  45           HB1      ALA  45 -23.608  15.483 -30.534
  336    HB2  ALA  45           HB2      ALA  45 -25.173  14.993 -29.838
  337    HB3  ALA  45           HB3      ALA  45 -24.489  16.588 -29.465
  338    H    GLY  46           H        GLY  46 -25.050  13.190 -27.386
  339    HA2  GLY  46           HA2      GLY  46 -25.427  14.418 -24.734
  340    HA3  GLY  46           HA3      GLY  46 -26.870  14.355 -25.739
  341    H    SER  47           H        SER  47 -28.046  12.768 -24.687
  342    HA   SER  47           HA       SER  47 -27.145  10.260 -23.725
  343    HB2  SER  47           HB2      SER  47 -29.824  10.905 -25.014
  344    HB3  SER  47           HB3      SER  47 -29.481   9.563 -23.911
  345    HG   SER  47           HG       SER  47 -30.441  11.362 -22.807
  346    H    SER  48           H        SER  48 -27.478  11.306 -27.038
  347    HA   SER  48           HA       SER  48 -27.647   8.892 -28.500
  348    HB2  SER  48           HB2      SER  48 -26.359  10.230 -30.212
  349    HB3  SER  48           HB3      SER  48 -27.829  10.989 -29.598
  350    HG   SER  48           HG       SER  48 -26.151  12.513 -29.645
  351    H    SER  49           H        SER  49 -25.108   9.879 -26.347
  352    HA   SER  49           HA       SER  49 -22.825   8.532 -27.348
  353    HB2  SER  49           HB2      SER  49 -22.228   8.352 -24.952
  354    HB3  SER  49           HB3      SER  49 -22.822   9.972 -25.363
  355    HG   SER  49           HG       SER  49 -23.778   9.167 -23.400
  356    H    VAL  50           H        VAL  50 -25.777   7.173 -25.860
  357    HA   VAL  50           HA       VAL  50 -24.686   4.525 -25.494
  358    HB   VAL  50           HB       VAL  50 -26.882   3.697 -25.138
  359   HG11  VAL  50          HG11      VAL  50 -26.753   6.503 -23.968
  360   HG12  VAL  50          HG12      VAL  50 -27.660   5.117 -23.341
  361   HG13  VAL  50          HG13      VAL  50 -25.890   5.078 -23.354
  362   HG21  VAL  50          HG21      VAL  50 -28.193   4.560 -26.942
  363   HG22  VAL  50          HG22      VAL  50 -28.935   5.116 -25.435
  364   HG23  VAL  50          HG23      VAL  50 -27.961   6.234 -26.418
  365    H    PHE  51           H        PHE  51 -25.643   6.142 -28.379
  366    HA   PHE  51           HA       PHE  51 -25.882   3.599 -29.945
  367    HB2  PHE  51           HB2      PHE  51 -27.807   5.121 -30.082
  368    HB3  PHE  51           HB3      PHE  51 -26.759   6.457 -30.535
  369    HD1  PHE  51           HD1      PHE  51 -28.084   3.150 -31.646
  370    HD2  PHE  51           HD2      PHE  51 -26.024   6.756 -32.818
  371    HE1  PHE  51           HE1      PHE  51 -28.318   2.510 -34.031
  372    HE2  PHE  51           HE2      PHE  51 -26.267   6.113 -35.203
  373    HZ   PHE  51           HZ       PHE  51 -27.409   3.993 -35.816
  374    H    SER  52           H        SER  52 -24.369   6.867 -29.987
  375    HA   SER  52           HA       SER  52 -22.614   6.332 -32.206
  376    HB2  SER  52           HB2      SER  52 -22.617   8.558 -30.138
  377    HB3  SER  52           HB3      SER  52 -21.698   8.554 -31.657
  378    HG   SER  52           HG       SER  52 -23.683   9.673 -31.931
  379    H    VAL  53           H        VAL  53 -22.156   4.256 -30.485
  380    HA   VAL  53           HA       VAL  53 -19.980   4.626 -28.657
  381    HB   VAL  53           HB       VAL  53 -19.811   2.171 -28.578
  382   HG11  VAL  53          HG11      VAL  53 -22.688   3.174 -28.456
  383   HG12  VAL  53          HG12      VAL  53 -22.024   1.761 -27.617
  384   HG13  VAL  53          HG13      VAL  53 -21.462   3.383 -27.186
  385   HG21  VAL  53          HG21      VAL  53 -21.965   2.141 -30.738
  386   HG22  VAL  53          HG22      VAL  53 -20.301   1.541 -30.896
  387   HG23  VAL  53          HG23      VAL  53 -21.425   0.747 -29.787
  388    H    LEU  54           H        LEU  54 -17.834   4.167 -28.739
  389    HA   LEU  54           HA       LEU  54 -16.414   3.355 -31.141
  390    HB2  LEU  54           HB2      LEU  54 -17.155   5.700 -31.695
  391    HB3  LEU  54           HB3      LEU  54 -16.389   6.269 -30.228
  392    HG   LEU  54           HG       LEU  54 -14.161   5.611 -31.146
  393   HD11  LEU  54          HD11      LEU  54 -15.751   4.971 -33.679
  394   HD12  LEU  54          HD12      LEU  54 -13.977   5.082 -33.572
  395   HD13  LEU  54          HD13      LEU  54 -14.838   3.804 -32.702
  396   HD21  LEU  54          HD21      LEU  54 -15.823   7.444 -32.922
  397   HD22  LEU  54          HD22      LEU  54 -15.024   7.900 -31.401
  398   HD23  LEU  54          HD23      LEU  54 -14.051   7.430 -32.804
  399    H    SER  55           H        SER  55 -14.230   2.856 -30.674
  400    HA   SER  55           HA       SER  55 -13.446   2.434 -27.969
  401    HB2  SER  55           HB2      SER  55 -11.693   2.629 -30.442
  402    HB3  SER  55           HB3      SER  55 -11.254   1.897 -28.888
  403    HG   SER  55           HG       SER  55 -11.965   0.307 -30.426
  404    H    ASN  56           H        ASN  56 -12.475   3.713 -26.470
  405    HA   ASN  56           HA       ASN  56 -11.825   6.530 -27.185
  406    HB2  ASN  56           HB2      ASN  56 -12.326   5.077 -24.564
  407    HB3  ASN  56           HB3      ASN  56 -11.638   6.693 -24.632
  408   HD21  ASN  56          HD22      ASN  56 -14.373   5.278 -26.630
  409   HD22  ASN  56          HD21      ASN  56 -15.524   6.439 -26.026
  410    H    SER  57           H        SER  57  -9.812   7.509 -26.687
  411    HA   SER  57           HA       SER  57  -7.562   5.757 -25.858
  412    HB2  SER  57           HB2      SER  57  -6.188   6.647 -27.711
  413    HB3  SER  57           HB3      SER  57  -7.526   5.608 -28.246
  414    HG   SER  57           HG       SER  57  -7.641   7.350 -29.593
  415    H    ALA  58           H        ALA  58  -5.771   6.750 -24.998
  416    HA   ALA  58           HA       ALA  58  -6.193   9.531 -23.991
  417    HB1  ALA  58           HB1      ALA  58  -4.776   8.722 -22.073
  418    HB2  ALA  58           HB2      ALA  58  -6.268   7.775 -22.255
  419    HB3  ALA  58           HB3      ALA  58  -4.721   7.112 -22.822
  420    H    GLU  59           H        GLU  59  -4.349  10.924 -23.897
  421    HA   GLU  59           HA       GLU  59  -2.247  10.313 -25.944
  422    HB2  GLU  59           HB2      GLU  59  -3.728  12.407 -26.125
  423    HB3  GLU  59           HB3      GLU  59  -2.862  13.028 -24.701
  424    HG2  GLU  59           HG2      GLU  59  -0.711  12.802 -25.934
  425    HG3  GLU  59           HG3      GLU  59  -1.557  12.145 -27.329
  426    H    VAL  60           H        VAL  60  -0.081  10.241 -25.380
  427    HA   VAL  60           HA       VAL  60   0.643  10.384 -22.523
  428    HB   VAL  60           HB       VAL  60   2.475  10.137 -24.909
  429   HG11  VAL  60          HG11      VAL  60   4.119   9.288 -23.235
  430   HG12  VAL  60          HG12      VAL  60   3.597  10.909 -22.794
  431   HG13  VAL  60          HG13      VAL  60   2.916   9.522 -21.945
  432   HG21  VAL  60          HG21      VAL  60   1.435   7.900 -23.127
  433   HG22  VAL  60          HG22      VAL  60   0.941   8.176 -24.813
  434   HG23  VAL  60          HG23      VAL  60   2.607   7.738 -24.445
  435    H    LYS  61           H        LYS  61   1.164  12.232 -21.522
  436    HA   LYS  61           HA       LYS  61   2.123  14.612 -23.084
  437    HB2  LYS  61           HB2      LYS  61  -0.032  14.432 -20.925
  438    HB3  LYS  61           HB3      LYS  61   0.733  15.951 -21.363
  439    HG2  LYS  61           HG2      LYS  61   0.022  15.656 -23.731
  440    HG3  LYS  61           HG3      LYS  61  -0.796  14.141 -23.296
  441    HD2  LYS  61           HD2      LYS  61  -2.261  15.322 -21.764
  442    HD3  LYS  61           HD3      LYS  61  -1.445  16.860 -22.066
  443    HE2  LYS  61           HE2      LYS  61  -3.131  15.245 -24.045
  444    HE3  LYS  61           HE3      LYS  61  -3.617  16.715 -23.201
  445    HZ1  LYS  61           HZ1      LYS  61  -1.591  16.465 -25.347
  446    HZ2  LYS  61           HZ2      LYS  61  -2.945  17.370 -25.346
  447    HZ3  LYS  61           HZ3      LYS  61  -1.692  17.829 -24.402
  448    H    ARG  62           H        ARG  62   3.372  16.137 -21.977
  449    HA   ARG  62           HA       ARG  62   4.850  15.207 -19.537
  450    HB2  ARG  62           HB2      ARG  62   6.234  15.624 -21.577
  451    HB3  ARG  62           HB3      ARG  62   5.614  17.272 -21.651
  452    HG2  ARG  62           HG2      ARG  62   6.633  17.694 -19.360
  453    HG3  ARG  62           HG3      ARG  62   7.278  16.048 -19.399
  454    HD2  ARG  62           HD2      ARG  62   9.028  17.578 -20.042
  455    HD3  ARG  62           HD3      ARG  62   8.556  16.638 -21.473
  456    HE   ARG  62           HE       ARG  62   7.117  19.174 -21.207
  457   HH11  ARG  62          HH11      ARG  62  10.232  17.908 -22.352
  458   HH12  ARG  62          HH12      ARG  62  10.437  19.215 -23.471
  459   HH21  ARG  62          HH21      ARG  62   7.454  20.808 -22.697
  460   HH22  ARG  62          HH22      ARG  62   8.902  20.841 -23.649
  461    H    GLU  63           H        GLU  63   4.394  16.351 -17.653
  462    HA   GLU  63           HA       GLU  63   3.310  19.105 -17.739
  463    HB2  GLU  63           HB2      GLU  63   1.451  17.513 -18.336
  464    HB3  GLU  63           HB3      GLU  63   1.605  16.872 -16.702
  465    HG2  GLU  63           HG2      GLU  63  -0.185  18.558 -17.080
  466    HG3  GLU  63           HG3      GLU  63   0.945  18.927 -15.757
  467    H    ARG  64           H        ARG  64   2.811  19.907 -15.583
  468    HA   ARG  64           HA       ARG  64   5.063  19.483 -13.814
  469    HB2  ARG  64           HB2      ARG  64   2.556  21.199 -13.624
  470    HB3  ARG  64           HB3      ARG  64   3.938  21.329 -12.525
  471    HG2  ARG  64           HG2      ARG  64   5.367  22.201 -14.186
  472    HG3  ARG  64           HG3      ARG  64   4.369  21.611 -15.519
  473    HD2  ARG  64           HD2      ARG  64   2.557  23.212 -14.858
  474    HD3  ARG  64           HD3      ARG  64   3.648  23.877 -13.639
  475    HE   ARG  64           HE       ARG  64   4.875  24.935 -15.287
  476   HH11  ARG  64          HH11      ARG  64   2.731  22.620 -16.991
  477   HH12  ARG  64          HH12      ARG  64   3.001  23.415 -18.509
  478   HH21  ARG  64          HH21      ARG  64   5.198  25.816 -17.308
  479   HH22  ARG  64          HH22      ARG  64   4.393  25.158 -18.699
  480    H    LEU  65           H        LEU  65   5.164  18.467 -11.876
  481    HA   LEU  65           HA       LEU  65   3.479  16.357 -11.114
  482    HB2  LEU  65           HB2      LEU  65   5.796  16.694 -10.441
  483    HB3  LEU  65           HB3      LEU  65   5.348  18.019  -9.389
  484    HG   LEU  65           HG       LEU  65   5.819  15.826  -8.325
  485   HD11  LEU  65          HD11      LEU  65   4.170  15.926  -6.604
  486   HD12  LEU  65          HD12      LEU  65   4.464  17.582  -7.157
  487   HD13  LEU  65          HD13      LEU  65   2.992  16.711  -7.660
  488   HD21  LEU  65          HD21      LEU  65   4.817  14.274  -9.871
  489   HD22  LEU  65          HD22      LEU  65   4.127  14.048  -8.252
  490   HD23  LEU  65          HD23      LEU  65   3.190  14.878  -9.493
  491    H    GLU  66           H        GLU  66   3.549  19.614  -9.589
  492    HA   GLU  66           HA       GLU  66   1.415  19.307  -7.806
  493    HB2  GLU  66           HB2      GLU  66   1.803  21.936  -9.265
  494    HB3  GLU  66           HB3      GLU  66   1.307  21.639  -7.595
  495    HG2  GLU  66           HG2      GLU  66   3.660  20.717  -7.219
  496    HG3  GLU  66           HG3      GLU  66   4.036  21.323  -8.848
  497    H    ASP  67           H        ASP  67   1.263  20.488 -11.189
  498    HA   ASP  67           HA       ASP  67  -1.523  20.926 -11.227
  499    HB2  ASP  67           HB2      ASP  67   0.073  21.819 -12.904
  500    HB3  ASP  67           HB3      ASP  67   0.305  20.195 -13.551
  501    H    VAL  68           H        VAL  68   0.367  18.054 -12.130
  502    HA   VAL  68           HA       VAL  68  -1.823  16.465 -13.024
  503    HB   VAL  68           HB       VAL  68   1.003  15.780 -12.205
  504   HG11  VAL  68          HG11      VAL  68  -0.238  13.735 -11.782
  505   HG12  VAL  68          HG12      VAL  68  -1.093  13.876 -13.335
  506   HG13  VAL  68          HG13      VAL  68   0.655  13.550 -13.288
  507   HG21  VAL  68          HG21      VAL  68   1.246  15.441 -14.665
  508   HG22  VAL  68          HG22      VAL  68  -0.465  15.830 -14.896
  509   HG23  VAL  68          HG23      VAL  68   0.660  17.072 -14.318
  510    H    VAL  69           H        VAL  69  -0.218  16.613  -9.769
  511    HA   VAL  69           HA       VAL  69  -2.096  14.694  -8.692
  512    HB   VAL  69           HB       VAL  69  -0.970  14.926  -6.650
  513   HG11  VAL  69          HG11      VAL  69   1.025  14.875  -8.921
  514   HG12  VAL  69          HG12      VAL  69   1.339  14.314  -7.273
  515   HG13  VAL  69          HG13      VAL  69   0.107  13.510  -8.259
  516   HG21  VAL  69          HG21      VAL  69  -0.631  17.289  -6.373
  517   HG22  VAL  69          HG22      VAL  69   0.936  16.480  -6.258
  518   HG23  VAL  69          HG23      VAL  69   0.477  17.328  -7.748
  519    H    GLY  70           H        GLY  70  -2.561  17.903  -9.469
  520    HA2  GLY  70           HA2      GLY  70  -3.774  19.052  -7.186
  521    HA3  GLY  70           HA3      GLY  70  -4.107  19.506  -8.867
  522    H    GLY  71           H        GLY  71  -5.656  18.760  -6.171
  523    HA2  GLY  71           HA2      GLY  71  -7.815  18.047  -5.684
  524    HA3  GLY  71           HA3      GLY  71  -8.069  17.666  -7.404
  525    H    CYS  72           H        CYS  72  -5.268  16.143  -6.266
  526    HA   CYS  72           HA       CYS  72  -6.645  13.511  -5.825
  527    HB2  CYS  72           HB2      CYS  72  -3.957  13.961  -7.206
  528    HB3  CYS  72           HB3      CYS  72  -4.929  12.497  -7.174
  529    HG   CYS  72           HG       CYS  72  -5.752  15.411  -8.588
  530    H    CYS  73           H        CYS  73  -4.821  11.925  -4.996
  531    HA   CYS  73           HA       CYS  73  -2.932  13.198  -3.054
  532    HB2  CYS  73           HB2      CYS  73  -4.986  12.266  -1.876
  533    HB3  CYS  73           HB3      CYS  73  -4.570  10.670  -2.515
  534    HG   CYS  73           HG       CYS  73  -2.848  12.687  -0.504
  535    H    TYR  74           H        TYR  74  -0.959  11.740  -2.719
  536    HA   TYR  74           HA       TYR  74  -0.553   9.725  -4.806
  537    HB2  TYR  74           HB2      TYR  74   1.039  10.874  -6.123
  538    HB3  TYR  74           HB3      TYR  74  -0.359  11.917  -6.013
  539    HD1  TYR  74           HD2      TYR  74  -0.289  13.896  -4.336
  540    HD2  TYR  74           HD1      TYR  74   3.200  11.627  -5.472
  541    HE1  TYR  74           HE2      TYR  74   1.168  15.751  -3.557
  542    HE2  TYR  74           HE1      TYR  74   4.663  13.491  -4.714
  543    HH   TYR  74           HH       TYR  74   3.343  16.511  -3.289
  544    H    ARG  75           H        ARG  75   1.587   8.849  -4.978
  545    HA   ARG  75           HA       ARG  75   3.518   9.137  -2.790
  546    HB2  ARG  75           HB2      ARG  75   3.318   6.824  -1.998
  547    HB3  ARG  75           HB3      ARG  75   1.804   7.678  -1.762
  548    HG2  ARG  75           HG2      ARG  75   0.893   6.600  -3.849
  549    HG3  ARG  75           HG3      ARG  75   2.402   5.683  -4.005
  550    HD2  ARG  75           HD2      ARG  75   0.565   5.529  -1.584
  551    HD3  ARG  75           HD3      ARG  75   0.454   4.455  -2.967
  552    HE   ARG  75           HE       ARG  75   2.712   4.616  -1.025
  553   HH11  ARG  75          HH11      ARG  75   1.143   2.718  -3.639
  554   HH12  ARG  75          HH12      ARG  75   2.067   1.309  -3.212
  555   HH21  ARG  75          HH21      ARG  75   3.899   2.763  -0.663
  556   HH22  ARG  75          HH22      ARG  75   3.633   1.345  -1.623
  557    H    VAL  76           H        VAL  76   5.438   7.760  -3.153
  558    HA   VAL  76           HA       VAL  76   5.912   7.117  -6.046
  559    HB   VAL  76           HB       VAL  76   7.841   7.232  -3.695
  560   HG11  VAL  76          HG11      VAL  76   8.612   5.435  -5.173
  561   HG12  VAL  76          HG12      VAL  76   8.359   6.443  -6.604
  562   HG13  VAL  76          HG13      VAL  76   9.629   6.845  -5.435
  563   HG21  VAL  76          HG21      VAL  76   7.148   9.443  -4.605
  564   HG22  VAL  76          HG22      VAL  76   8.843   9.096  -4.967
  565   HG23  VAL  76          HG23      VAL  76   7.614   8.915  -6.235
  566    H    ASN  77           H        ASN  77   5.767   5.069  -6.732
  567    HA   ASN  77           HA       ASN  77   5.939   2.815  -4.782
  568    HB2  ASN  77           HB2      ASN  77   3.540   3.366  -5.199
  569    HB3  ASN  77           HB3      ASN  77   3.780   3.042  -6.918
  570   HD21  ASN  77          HD22      ASN  77   1.966   1.379  -6.411
  571   HD22  ASN  77          HD21      ASN  77   2.527  -0.194  -5.852
  572    H    ASN  78           H        ASN  78   8.115   3.418  -5.937
  573    HA   ASN  78           HA       ASN  78   8.464   2.288  -8.609
  574    HB2  ASN  78           HB2      ASN  78   9.601   4.359  -7.838
  575    HB3  ASN  78           HB3      ASN  78  10.493   3.420  -6.644
  576   HD21  ASN  78          HD22      ASN  78  12.097   4.760  -8.154
  577   HD22  ASN  78          HD21      ASN  78  12.841   3.734  -9.389
  578    H    SER  79           H        SER  79   7.575   0.151  -7.880
  579    HA   SER  79           HA       SER  79   8.991  -1.507  -6.047
  580    HB2  SER  79           HB2      SER  79   7.454  -3.262  -7.014
  581    HB3  SER  79           HB3      SER  79   6.650  -1.799  -6.419
  582    HG   SER  79           HG       SER  79   5.859  -2.420  -8.509
  583    H    LEU  80           H        LEU  80   9.023  -1.430  -9.655
  584    HA   LEU  80           HA       LEU  80  10.389  -3.897  -9.846
  585    HB2  LEU  80           HB2      LEU  80  10.367  -1.792 -12.007
  586    HB3  LEU  80           HB3      LEU  80  10.602  -3.542 -12.159
  587    HG   LEU  80           HG       LEU  80   8.006  -2.136 -11.403
  588   HD11  LEU  80          HD11      LEU  80   8.605  -1.940 -13.785
  589   HD12  LEU  80          HD12      LEU  80   8.825  -3.701 -13.891
  590   HD13  LEU  80          HD13      LEU  80   7.218  -3.022 -13.567
  591   HD21  LEU  80          HD21      LEU  80   8.108  -4.267 -10.200
  592   HD22  LEU  80          HD22      LEU  80   6.977  -4.404 -11.554
  593   HD23  LEU  80          HD23      LEU  80   8.600  -5.114 -11.685
  594    H    ASP  81           H        ASP  81  11.742  -0.838  -9.163
  595    HA   ASP  81           HA       ASP  81  14.468  -1.129  -9.900
  596    HB2  ASP  81           HB2      ASP  81  13.218   0.830  -8.767
  597    HB3  ASP  81           HB3      ASP  81  13.414  -0.069  -7.250
  598    H    HIS  82           H        HIS  82  12.600  -2.737  -7.414
  599    HA   HIS  82           HA       HIS  82  14.958  -4.036  -6.133
  600    HB2  HIS  82           HB2      HIS  82  13.181  -3.070  -4.759
  601    HB3  HIS  82           HB3      HIS  82  11.953  -3.988  -5.615
  602    HD1  HIS  82           HD1      HIS  82  11.691  -6.603  -5.042
  603    HD2  HIS  82           HD2      HIS  82  14.608  -4.456  -2.876
  604    HE1  HIS  82           HE1      HIS  82  12.360  -8.076  -3.069
  605    H    GLU  83           H        GLU  83  12.674  -4.670  -8.677
  606    HA   GLU  83           HA       GLU  83  12.657  -7.594  -8.306
  607    HB2  GLU  83           HB2      GLU  83  11.304  -5.836 -10.405
  608    HB3  GLU  83           HB3      GLU  83  11.088  -7.577 -10.212
  609    HG2  GLU  83           HG2      GLU  83  10.292  -5.426  -8.211
  610    HG3  GLU  83           HG3      GLU  83   9.223  -6.422  -9.183
  611    H    TYR  84           H        TYR  84  13.967  -5.214 -10.568
  612    HA   TYR  84           HA       TYR  84  15.674  -7.345 -11.815
  613    HB2  TYR  84           HB2      TYR  84  14.769  -4.740 -13.091
  614    HB3  TYR  84           HB3      TYR  84  15.605  -6.083 -13.869
  615    HD1  TYR  84           HD1      TYR  84  14.378  -8.379 -13.989
  616    HD2  TYR  84           HD2      TYR  84  12.414  -4.681 -12.972
  617    HE1  TYR  84           HE1      TYR  84  12.166  -9.447 -14.382
  618    HE2  TYR  84           HE2      TYR  84  10.206  -5.742 -13.363
  619    HH   TYR  84           HH       TYR  84   9.071  -7.678 -13.939
  620    H    GLN  85           H        GLN  85  17.744  -6.409 -12.809
  621    HA   GLN  85           HA       GLN  85  19.266  -4.963 -10.831
  622    HB2  GLN  85           HB2      GLN  85  19.860  -5.769 -13.705
  623    HB3  GLN  85           HB3      GLN  85  21.027  -4.929 -12.685
  624    HG2  GLN  85           HG2      GLN  85  19.745  -7.610 -12.005
  625    HG3  GLN  85           HG3      GLN  85  21.351  -7.413 -12.695
  626   HE21  GLN  85          HE22      GLN  85  20.330  -8.528  -9.972
  627   HE22  GLN  85          HE21      GLN  85  21.306  -7.644  -8.812
  628    HA   PRO  86           HA       PRO  86  17.940  -0.950 -11.703
  629    HB2  PRO  86           HB2      PRO  86  20.138   0.693 -11.301
  630    HB3  PRO  86           HB3      PRO  86  19.207  -0.120 -10.004
  631    HG2  PRO  86           HG2      PRO  86  21.762  -1.057 -11.332
  632    HG3  PRO  86           HG3      PRO  86  21.389  -0.974  -9.577
  633    HD2  PRO  86           HD2      PRO  86  21.160  -3.296 -10.937
  634    HD3  PRO  86           HD3      PRO  86  19.926  -2.845  -9.716
  635    H    ARG  87           H        ARG  87  17.484   0.295 -13.399
  636    HA   ARG  87           HA       ARG  87  18.951  -0.162 -15.936
  637    HB2  ARG  87           HB2      ARG  87  16.223   1.070 -15.388
  638    HB3  ARG  87           HB3      ARG  87  16.872   0.728 -16.984
  639    HG2  ARG  87           HG2      ARG  87  16.110  -1.330 -14.855
  640    HG3  ARG  87           HG3      ARG  87  15.180  -0.881 -16.272
  641    HD2  ARG  87           HD2      ARG  87  16.195  -2.939 -16.825
  642    HD3  ARG  87           HD3      ARG  87  17.098  -1.702 -17.716
  643    HE   ARG  87           HE       ARG  87  18.115  -2.573 -15.056
  644   HH11  ARG  87          HH11      ARG  87  18.377  -3.362 -18.484
  645   HH12  ARG  87          HH12      ARG  87  20.060  -3.766 -18.361
  646   HH21  ARG  87          HH21      ARG  87  20.358  -2.831 -15.030
  647   HH22  ARG  87          HH22      ARG  87  21.141  -3.592 -16.389
  648    HA   PRO  88           HA       PRO  88  20.671   3.930 -15.949
  649    HB2  PRO  88           HB2      PRO  88  20.962   4.491 -18.610
  650    HB3  PRO  88           HB3      PRO  88  21.939   3.275 -17.734
  651    HG2  PRO  88           HG2      PRO  88  19.469   2.804 -19.420
  652    HG3  PRO  88           HG3      PRO  88  21.029   1.928 -19.476
  653    HD2  PRO  88           HD2      PRO  88  18.865   0.987 -18.134
  654    HD3  PRO  88           HD3      PRO  88  20.525   0.757 -17.498
  655    H    VAL  89           H        VAL  89  19.400   5.492 -15.135
  656    HA   VAL  89           HA       VAL  89  16.749   5.919 -15.744
  657    HB   VAL  89           HB       VAL  89  17.871   6.648 -13.695
  658   HG11  VAL  89          HG11      VAL  89  18.987   8.805 -13.484
  659   HG12  VAL  89          HG12      VAL  89  19.864   7.800 -14.646
  660   HG13  VAL  89          HG13      VAL  89  18.816   9.122 -15.215
  661   HG21  VAL  89          HG21      VAL  89  16.306   8.935 -14.959
  662   HG22  VAL  89          HG22      VAL  89  15.591   7.453 -14.295
  663   HG23  VAL  89          HG23      VAL  89  16.494   8.567 -13.240
  664    H    GLU  90           H        GLU  90  19.432   7.607 -17.337
  665    HA   GLU  90           HA       GLU  90  17.925   9.539 -18.730
  666    HB2  GLU  90           HB2      GLU  90  19.768   9.655 -20.295
  667    HB3  GLU  90           HB3      GLU  90  20.348   9.572 -18.630
  668    HG2  GLU  90           HG2      GLU  90  20.848   7.117 -19.000
  669    HG3  GLU  90           HG3      GLU  90  20.376   7.323 -20.693
  670    H    VAL  91           H        VAL  91  18.394   6.105 -19.475
  671    HA   VAL  91           HA       VAL  91  17.117   6.221 -22.061
  672    HB   VAL  91           HB       VAL  91  17.538   3.808 -20.273
  673   HG11  VAL  91          HG11      VAL  91  16.924   3.946 -23.250
  674   HG12  VAL  91          HG12      VAL  91  17.298   2.473 -22.316
  675   HG13  VAL  91          HG13      VAL  91  15.814   3.370 -21.986
  676   HG21  VAL  91          HG21      VAL  91  19.480   3.345 -21.780
  677   HG22  VAL  91          HG22      VAL  91  19.208   4.899 -22.596
  678   HG23  VAL  91          HG23      VAL  91  19.697   4.853 -20.888
  679    H    ILE  92           H        ILE  92  15.958   5.426 -18.742
  680    HA   ILE  92           HA       ILE  92  13.262   4.742 -19.447
  681    HB   ILE  92           HB       ILE  92  14.195   6.163 -16.906
  682   HG12  ILE  92          HG12      ILE  92  14.195   3.170 -17.502
  683   HG13  ILE  92          HG13      ILE  92  15.623   4.183 -17.300
  684   HG21  ILE  92          HG21      ILE  92  11.865   4.234 -17.336
  685   HG22  ILE  92          HG22      ILE  92  12.242   5.141 -15.856
  686   HG23  ILE  92          HG23      ILE  92  11.696   5.997 -17.286
  687   HD11  ILE  92          HD11      ILE  92  13.624   3.436 -15.158
  688   HD12  ILE  92          HD12      ILE  92  15.356   3.087 -15.244
  689   HD13  ILE  92          HD13      ILE  92  14.819   4.747 -14.961
  690    H    ILE  93           H        ILE  93  14.671   7.914 -18.585
  691    HA   ILE  93           HA       ILE  93  12.265   9.400 -19.115
  692    HB   ILE  93           HB       ILE  93  15.183  10.176 -18.803
  693   HG12  ILE  93          HG12      ILE  93  12.738  10.567 -16.986
  694   HG13  ILE  93          HG13      ILE  93  13.846   9.215 -16.822
  695   HG21  ILE  93          HG21      ILE  93  14.126  11.939 -20.165
  696   HG22  ILE  93          HG22      ILE  93  12.758  12.036 -19.032
  697   HG23  ILE  93          HG23      ILE  93  14.387  12.547 -18.542
  698   HD11  ILE  93          HD11      ILE  93  14.538  12.132 -16.356
  699   HD12  ILE  93          HD12      ILE  93  14.357  10.846 -15.151
  700   HD13  ILE  93          HD13      ILE  93  15.699  10.785 -16.322
  701    H    SER  94           H        SER  94  15.025   8.564 -21.211
  702    HA   SER  94           HA       SER  94  14.123  10.082 -23.457
  703    HB2  SER  94           HB2      SER  94  15.700   7.477 -23.446
  704    HB3  SER  94           HB3      SER  94  15.480   8.546 -24.840
  705    HG   SER  94           HG       SER  94  16.844   9.088 -22.397
  706    H    SER  95           H        SER  95  13.376   6.712 -22.516
  707    HA   SER  95           HA       SER  95  11.546   6.118 -24.612
  708    HB2  SER  95           HB2      SER  95  11.793   5.185 -21.736
  709    HB3  SER  95           HB3      SER  95  10.612   4.493 -22.866
  710    HG   SER  95           HG       SER  95  12.408   3.880 -24.231
  711    H    ALA  96           H        ALA  96  10.943   7.665 -21.377
  712    HA   ALA  96           HA       ALA  96   8.165   8.045 -21.705
  713    HB1  ALA  96           HB1      ALA  96  10.147   9.898 -20.286
  714    HB2  ALA  96           HB2      ALA  96   8.444   9.593 -19.865
  715    HB3  ALA  96           HB3      ALA  96   9.650   8.332 -19.628
  716    H    LYS  97           H        LYS  97  10.875  10.258 -22.585
  717    HA   LYS  97           HA       LYS  97   9.276  12.307 -23.746
  718    HB2  LYS  97           HB2      LYS  97  12.170  11.440 -24.086
  719    HB3  LYS  97           HB3      LYS  97  11.511  12.852 -24.913
  720    HG2  LYS  97           HG2      LYS  97  10.997  13.965 -22.835
  721    HG3  LYS  97           HG3      LYS  97  11.406  12.527 -21.879
  722    HD2  LYS  97           HD2      LYS  97  13.727  12.633 -22.580
  723    HD3  LYS  97           HD3      LYS  97  13.377  13.965 -23.705
  724    HE2  LYS  97           HE2      LYS  97  12.681  15.401 -21.779
  725    HE3  LYS  97           HE3      LYS  97  13.099  14.104 -20.663
  726    HZ1  LYS  97           HZ1      LYS  97  14.921  15.723 -20.893
  727    HZ2  LYS  97           HZ2      LYS  97  15.427  14.278 -21.465
  728    HZ3  LYS  97           HZ3      LYS  97  15.008  15.479 -22.502
  729    H    GLU  98           H        GLU  98  10.740   9.438 -25.274
  730    HA   GLU  98           HA       GLU  98   9.852  10.028 -27.920
  731    HB2  GLU  98           HB2      GLU  98  10.604   7.446 -26.526
  732    HB3  GLU  98           HB3      GLU  98  10.078   7.469 -28.204
  733    HG2  GLU  98           HG2      GLU  98  12.446   9.086 -27.170
  734    HG3  GLU  98           HG3      GLU  98  12.568   7.489 -27.900
  735    H    MET  99           H        MET  99   8.247   8.311 -25.229
  736    HA   MET  99           HA       MET  99   5.932   7.619 -26.763
  737    HB2  MET  99           HB2      MET  99   6.473   7.706 -23.792
  738    HB3  MET  99           HB3      MET  99   4.934   7.170 -24.488
  739    HG2  MET  99           HG2      MET  99   7.617   5.982 -25.324
  740    HG3  MET  99           HG3      MET  99   6.680   5.336 -24.004
  741    HE1  MET  99           HE1      MET  99   3.786   3.478 -25.528
  742    HE2  MET  99           HE2      MET  99   4.845   3.781 -24.131
  743    HE3  MET  99           HE3      MET  99   3.734   5.054 -24.712
  744    H    VAL 100           H        VAL 100   6.592  10.424 -24.639
  745    HA   VAL 100           HA       VAL 100   4.143  11.744 -24.741
  746    HB   VAL 100           HB       VAL 100   6.908  12.943 -24.964
  747   HG11  VAL 100          HG11      VAL 100   4.273  14.436 -24.628
  748   HG12  VAL 100          HG12      VAL 100   5.880  15.128 -24.337
  749   HG13  VAL 100          HG13      VAL 100   5.428  14.632 -25.966
  750   HG21  VAL 100          HG21      VAL 100   6.201  11.806 -22.837
  751   HG22  VAL 100          HG22      VAL 100   6.545  13.532 -22.648
  752   HG23  VAL 100          HG23      VAL 100   4.864  12.959 -22.708
  753    H    GLY 101           H        GLY 101   2.837  12.634 -26.114
  754    HA2  GLY 101           HA2      GLY 101   2.124  13.743 -28.070
  755    HA3  GLY 101           HA3      GLY 101   3.624  13.272 -28.910
  756    H    GLN 102           H        GLN 102   2.920  10.381 -27.667
  757    HA   GLN 102           HA       GLN 102   1.336   9.543 -29.953
  758    HB2  GLN 102           HB2      GLN 102   2.674   7.881 -27.782
  759    HB3  GLN 102           HB3      GLN 102   1.909   7.273 -29.246
  760    HG2  GLN 102           HG2      GLN 102   3.575   8.585 -30.624
  761    HG3  GLN 102           HG3      GLN 102   4.398   9.038 -29.133
  762   HE21  GLN 102          HE22      GLN 102   6.336   7.845 -29.053
  763   HE22  GLN 102          HE21      GLN 102   6.394   6.124 -29.408
  764    H    LYS 103           H        LYS 103  -0.443   8.043 -29.687
  765    HA   LYS 103           HA       LYS 103  -2.029   8.398 -27.183
  766    HB2  LYS 103           HB2      LYS 103  -3.023   8.323 -30.071
  767    HB3  LYS 103           HB3      LYS 103  -4.067   8.211 -28.649
  768    HG2  LYS 103           HG2      LYS 103  -3.323  10.451 -27.899
  769    HG3  LYS 103           HG3      LYS 103  -2.268  10.581 -29.313
  770    HD2  LYS 103           HD2      LYS 103  -4.269  11.838 -29.745
  771    HD3  LYS 103           HD3      LYS 103  -4.277  10.419 -30.796
  772    HE2  LYS 103           HE2      LYS 103  -5.838   9.265 -29.222
  773    HE3  LYS 103           HE3      LYS 103  -5.791  10.663 -28.141
  774    HZ1  LYS 103           HZ1      LYS 103  -7.754  10.694 -29.575
  775    HZ2  LYS 103           HZ2      LYS 103  -6.815  11.990 -29.919
  776    HZ3  LYS 103           HZ3      LYS 103  -6.841  10.697 -30.931
  777    H    MET 104           H        MET 104  -3.265   6.655 -26.456
  778    HA   MET 104           HA       MET 104  -3.022   4.008 -27.830
  779    HB2  MET 104           HB2      MET 104  -2.132   4.573 -24.960
  780    HB3  MET 104           HB3      MET 104  -2.368   2.958 -25.636
  781    HG2  MET 104           HG2      MET 104  -0.680   3.454 -27.398
  782    HG3  MET 104           HG3      MET 104  -0.345   5.003 -26.630
  783    HE1  MET 104           HE1      MET 104  -0.266   4.537 -23.583
  784    HE2  MET 104           HE2      MET 104   1.451   4.146 -23.371
  785    HE3  MET 104           HE3      MET 104   0.971   5.404 -24.533
  786    H    LYS 105           H        LYS 105  -4.567   2.455 -27.211
  787    HA   LYS 105           HA       LYS 105  -7.083   3.464 -26.088
  788    HB2  LYS 105           HB2      LYS 105  -7.973   1.296 -26.606
  789    HB3  LYS 105           HB3      LYS 105  -7.074   1.921 -27.984
  790    HG2  LYS 105           HG2      LYS 105  -5.152   0.446 -27.399
  791    HG3  LYS 105           HG3      LYS 105  -6.067  -0.194 -26.018
  792    HD2  LYS 105           HD2      LYS 105  -7.843  -0.980 -27.554
  793    HD3  LYS 105           HD3      LYS 105  -6.920  -0.403 -28.942
  794    HE2  LYS 105           HE2      LYS 105  -5.947  -2.508 -26.942
  795    HE3  LYS 105           HE3      LYS 105  -6.761  -2.883 -28.461
  796    HZ1  LYS 105           HZ1      LYS 105  -4.381  -3.028 -28.741
  797    HZ2  LYS 105           HZ2      LYS 105  -4.929  -1.792 -29.654
  798    HZ3  LYS 105           HZ3      LYS 105  -4.139  -1.493 -28.245
  799    H    TYR 106           H        TYR 106  -8.237   2.308 -24.311
  800    HA   TYR 106           HA       TYR 106  -6.578   1.056 -22.247
  801    HB2  TYR 106           HB2      TYR 106  -6.884   2.757 -20.561
  802    HB3  TYR 106           HB3      TYR 106  -6.107   3.488 -21.951
  803    HD1  TYR 106           HD1      TYR 106  -7.343   5.116 -23.380
  804    HD2  TYR 106           HD2      TYR 106  -9.131   3.377 -19.857
  805    HE1  TYR 106           HE1      TYR 106  -9.174   6.813 -23.461
  806    HE2  TYR 106           HE2      TYR 106 -10.966   5.043 -19.958
  807    HH   TYR 106           HH       TYR 106 -11.877   6.826 -21.092
  808    H    SER 107           H        SER 107  -7.724   0.408 -20.317
  809    HA   SER 107           HA       SER 107 -10.671   0.637 -20.241
  810    HB2  SER 107           HB2      SER 107 -10.275  -1.506 -21.399
  811    HB3  SER 107           HB3      SER 107  -9.223  -2.034 -20.066
  812    HG   SER 107           HG       SER 107 -11.486  -2.750 -19.909
  813    H    ILE 108           H        ILE 108 -11.268   1.103 -18.140
  814    HA   ILE 108           HA       ILE 108  -9.186   1.809 -16.335
  815    HB   ILE 108           HB       ILE 108 -10.933   2.475 -14.783
  816   HG12  ILE 108          HG12      ILE 108 -12.889   1.071 -16.662
  817   HG13  ILE 108          HG13      ILE 108 -12.506   0.619 -14.999
  818   HG21  ILE 108          HG21      ILE 108 -11.863   4.207 -16.166
  819   HG22  ILE 108          HG22      ILE 108 -10.259   3.832 -16.795
  820   HG23  ILE 108          HG23      ILE 108 -11.700   3.227 -17.635
  821   HD11  ILE 108          HD11      ILE 108 -14.615   1.757 -15.004
  822   HD12  ILE 108          HD12      ILE 108 -13.433   2.838 -14.243
  823   HD13  ILE 108          HD13      ILE 108 -13.963   3.126 -15.916
  824    H    VAL 109           H        VAL 109 -10.770  -1.235 -16.542
  825    HA   VAL 109           HA       VAL 109  -9.876  -2.109 -13.867
  826    HB   VAL 109           HB       VAL 109 -10.687  -4.336 -14.463
  827   HG11  VAL 109          HG11      VAL 109 -13.069  -3.797 -14.532
  828   HG12  VAL 109          HG12      VAL 109 -12.210  -2.672 -13.470
  829   HG13  VAL 109          HG13      VAL 109 -12.719  -2.152 -15.089
  830   HG21  VAL 109          HG21      VAL 109 -10.242  -4.345 -16.912
  831   HG22  VAL 109          HG22      VAL 109 -11.912  -4.783 -16.523
  832   HG23  VAL 109          HG23      VAL 109 -11.553  -3.166 -17.143
  833    H    SER 110           H        SER 110  -8.327  -1.824 -16.947
  834    HA   SER 110           HA       SER 110  -6.509  -4.129 -16.490
  835    HB2  SER 110           HB2      SER 110  -6.838  -2.222 -18.830
  836    HB3  SER 110           HB3      SER 110  -5.724  -3.602 -18.773
  837    HG   SER 110           HG       SER 110  -7.655  -4.250 -19.792
  838    H    ARG 111           H        ARG 111  -6.512  -0.891 -15.579
  839    HA   ARG 111           HA       ARG 111  -4.971   0.582 -14.834
  840    HB2  ARG 111           HB2      ARG 111  -3.148  -1.804 -14.369
  841    HB3  ARG 111           HB3      ARG 111  -3.144  -0.248 -13.529
  842    HG2  ARG 111           HG2      ARG 111  -5.519  -0.808 -12.734
  843    HG3  ARG 111           HG3      ARG 111  -5.238  -2.443 -13.345
  844    HD2  ARG 111           HD2      ARG 111  -3.793  -0.980 -11.114
  845    HD3  ARG 111           HD3      ARG 111  -4.744  -2.452 -10.981
  846    HE   ARG 111           HE       ARG 111  -1.944  -2.164 -11.632
  847   HH11  ARG 111          HH11      ARG 111  -4.624  -4.456 -12.106
  848   HH12  ARG 111          HH12      ARG 111  -3.533  -5.740 -12.531
  849   HH21  ARG 111          HH21      ARG 111  -0.669  -3.734 -12.333
  850   HH22  ARG 111          HH22      ARG 111  -1.279  -5.359 -12.607
  851    H    ASN 112           H        ASN 112  -4.952   0.459 -17.623
  852    HA   ASN 112           HA       ASN 112  -2.563  -0.119 -18.902
  853    HB2  ASN 112           HB2      ASN 112  -4.624   2.026 -19.551
  854    HB3  ASN 112           HB3      ASN 112  -3.308   1.585 -20.643
  855   HD21  ASN 112          HD22      ASN 112  -3.217  -0.675 -21.488
  856   HD22  ASN 112          HD21      ASN 112  -4.716  -1.578 -21.565
  857    H    CYS 113           H        CYS 113  -3.213   2.970 -17.180
  858    HA   CYS 113           HA       CYS 113  -0.802   4.264 -18.013
  859    HB2  CYS 113           HB2      CYS 113  -2.412   4.673 -15.442
  860    HB3  CYS 113           HB3      CYS 113  -1.246   5.810 -16.161
  861    HG   CYS 113           HG       CYS 113  -3.540   6.787 -16.748
  862    H    GLU 114           H        GLU 114  -1.336   2.037 -15.272
  863    HA   GLU 114           HA       GLU 114   1.280   2.226 -14.092
  864    HB2  GLU 114           HB2      GLU 114  -0.755   1.098 -13.068
  865    HB3  GLU 114           HB3      GLU 114  -0.544  -0.206 -14.229
  866    HG2  GLU 114           HG2      GLU 114   1.873  -0.415 -13.264
  867    HG3  GLU 114           HG3      GLU 114   1.264   0.581 -11.935
  868    H    HIS 115           H        HIS 115  -0.105  -0.119 -16.478
  869    HA   HIS 115           HA       HIS 115   2.320  -1.492 -17.039
  870    HB2  HIS 115           HB2      HIS 115   0.073  -2.301 -17.660
  871    HB3  HIS 115           HB3      HIS 115  -0.093  -0.996 -18.835
  872    HD1  HIS 115           HD1      HIS 115   0.635  -1.711 -21.257
  873    HD2  HIS 115           HD2      HIS 115   2.398  -3.966 -18.167
  874    HE1  HIS 115           HE1      HIS 115   2.030  -3.512 -22.387
  875    H    PHE 116           H        PHE 116   0.920   1.355 -18.754
  876    HA   PHE 116           HA       PHE 116   2.966   1.790 -20.621
  877    HB2  PHE 116           HB2      PHE 116   1.016   3.104 -20.832
  878    HB3  PHE 116           HB3      PHE 116   1.053   3.615 -19.157
  879    HD1  PHE 116           HD1      PHE 116   3.447   3.774 -22.063
  880    HD2  PHE 116           HD2      PHE 116   1.534   5.877 -18.820
  881    HE1  PHE 116           HE1      PHE 116   4.749   5.811 -22.602
  882    HE2  PHE 116           HE2      PHE 116   2.881   7.905 -19.357
  883    HZ   PHE 116           HZ       PHE 116   4.496   7.868 -21.234
  884    H    VAL 117           H        VAL 117   2.804   3.304 -17.298
  885    HA   VAL 117           HA       VAL 117   5.385   4.488 -17.753
  886    HB   VAL 117           HB       VAL 117   5.460   5.194 -15.461
  887   HG11  VAL 117          HG11      VAL 117   2.705   5.595 -16.679
  888   HG12  VAL 117          HG12      VAL 117   3.485   6.613 -15.465
  889   HG13  VAL 117          HG13      VAL 117   4.186   6.500 -17.082
  890   HG21  VAL 117          HG21      VAL 117   4.461   3.210 -14.319
  891   HG22  VAL 117          HG22      VAL 117   3.754   4.744 -13.825
  892   HG23  VAL 117          HG23      VAL 117   2.875   3.683 -14.939
  893    H    THR 118           H        THR 118   4.548   1.390 -16.227
  894    HA   THR 118           HA       THR 118   7.224   0.893 -15.164
  895    HB   THR 118           HB       THR 118   6.421  -1.500 -15.086
  896    HG1  THR 118           HG1      THR 118   3.900  -0.370 -15.676
  897   HG21  THR 118          HG21      THR 118   4.685   0.616 -13.717
  898   HG22  THR 118          HG22      THR 118   4.809  -1.091 -13.238
  899   HG23  THR 118          HG23      THR 118   6.226  -0.030 -13.118
  900    H    GLN 119           H        GLN 119   5.616  -0.025 -18.232
  901    HA   GLN 119           HA       GLN 119   7.787  -1.521 -19.274
  902    HB2  GLN 119           HB2      GLN 119   5.620   0.120 -20.626
  903    HB3  GLN 119           HB3      GLN 119   6.810  -0.787 -21.545
  904    HG2  GLN 119           HG2      GLN 119   5.006  -2.096 -19.467
  905    HG3  GLN 119           HG3      GLN 119   4.595  -1.938 -21.174
  906   HE21  GLN 119          HE22      GLN 119   4.465  -4.416 -20.634
  907   HE22  GLN 119          HE21      GLN 119   5.944  -5.312 -20.986
  908    H    LEU 120           H        LEU 120   7.492   2.008 -19.002
  909    HA   LEU 120           HA       LEU 120   9.645   2.643 -20.806
  910    HB2  LEU 120           HB2      LEU 120   8.923   4.129 -18.240
  911    HB3  LEU 120           HB3      LEU 120   9.803   4.776 -19.619
  912    HG   LEU 120           HG       LEU 120   6.897   3.908 -19.634
  913   HD11  LEU 120          HD11      LEU 120   7.213   5.906 -18.314
  914   HD12  LEU 120          HD12      LEU 120   8.105   6.674 -19.647
  915   HD13  LEU 120          HD13      LEU 120   6.380   6.300 -19.827
  916   HD21  LEU 120          HD21      LEU 120   7.916   3.614 -21.877
  917   HD22  LEU 120          HD22      LEU 120   6.738   4.921 -21.850
  918   HD23  LEU 120          HD23      LEU 120   8.477   5.302 -21.827
  919    H    ARG 121           H        ARG 121   9.714   1.289 -17.598
  920    HA   ARG 121           HA       ARG 121  12.691   1.459 -17.419
  921    HB2  ARG 121           HB2      ARG 121  11.405   2.046 -15.429
  922    HB3  ARG 121           HB3      ARG 121  10.548   0.505 -15.472
  923    HG2  ARG 121           HG2      ARG 121  12.682  -0.715 -15.092
  924    HG3  ARG 121           HG3      ARG 121  13.559   0.817 -15.047
  925    HD2  ARG 121           HD2      ARG 121  11.224   0.203 -13.171
  926    HD3  ARG 121           HD3      ARG 121  12.857  -0.305 -12.797
  927    HE   ARG 121           HE       ARG 121  11.871   2.520 -13.014
  928   HH11  ARG 121          HH21      ARG 121  14.446   0.339 -11.958
  929   HH12  ARG 121          HH22      ARG 121  15.136   1.518 -10.886
  930   HH21  ARG 121          HH11      ARG 121  12.994   4.094 -11.877
  931   HH22  ARG 121          HH12      ARG 121  14.513   3.684 -11.112
  932    H    TYR 122           H        TYR 122  10.099  -1.071 -17.331
  933    HA   TYR 122           HA       TYR 122  12.009  -3.231 -17.347
  934    HB2  TYR 122           HB2      TYR 122   9.838  -3.412 -16.288
  935    HB3  TYR 122           HB3      TYR 122   9.014  -3.130 -17.820
  936    HD1  TYR 122           HD2      TYR 122  11.631  -5.480 -16.421
  937    HD2  TYR 122           HD1      TYR 122   8.124  -5.008 -18.894
  938    HE1  TYR 122           HE2      TYR 122  11.638  -7.916 -16.888
  939    HE2  TYR 122           HE1      TYR 122   8.120  -7.450 -19.347
  940    HH   TYR 122           HH       TYR 122  10.588  -9.667 -17.967
  941    H    GLY 123           H        GLY 123  10.093  -1.763 -19.971
  942    HA2  GLY 123           HA2      GLY 123  11.166  -3.611 -22.029
  943    HA3  GLY 123           HA3      GLY 123   9.956  -2.318 -22.234
  944    H    LYS 124           H        LYS 124  11.250  -0.158 -21.142
  945    HA   LYS 124           HA       LYS 124  12.479   1.610 -21.863
  946    HB2  LYS 124           HB2      LYS 124  14.892   1.392 -21.344
  947    HB3  LYS 124           HB3      LYS 124  13.773   0.901 -20.112
  948    HG2  LYS 124           HG2      LYS 124  15.569  -0.594 -20.003
  949    HG3  LYS 124           HG3      LYS 124  14.204  -1.496 -20.624
  950    HD2  LYS 124           HD2      LYS 124  15.145  -1.154 -22.967
  951    HD3  LYS 124           HD3      LYS 124  16.576  -0.411 -22.228
  952    HE2  LYS 124           HE2      LYS 124  17.057  -2.538 -21.058
  953    HE3  LYS 124           HE3      LYS 124  15.544  -3.237 -21.669
  954    HZ1  LYS 124           HZ1      LYS 124  16.431  -2.949 -23.944
  955    HZ2  LYS 124           HZ2      LYS 124  17.858  -2.411 -23.350
  956    HZ3  LYS 124           HZ3      LYS 124  17.379  -3.946 -23.055
  957    H    SER 125           H        SER 125  15.223   1.296 -23.316
  958    HA   SER 125           HA       SER 125  14.286   1.870 -25.947
  959    HB2  SER 125           HB2      SER 125  16.686   1.791 -26.566
  960    HB3  SER 125           HB3      SER 125  16.319   2.855 -25.200
  961    HG   SER 125           HG       SER 125  17.328   0.176 -25.032
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  13.729  12.589  18.774
    2    H2   MET   1           H2       MET   1  14.288  13.313  17.418
    3    H3   MET   1           H3       MET   1  13.367  14.158  18.476
    4    HA   MET   1           HA       MET   1  12.471  11.851  16.861
    5    HB2  MET   1           HB2      MET   1  11.374  11.997  19.107
    6    HB3  MET   1           HB3      MET   1  10.799  13.621  18.717
    7    HG2  MET   1           HG2      MET   1   9.458  12.699  16.849
    8    HG3  MET   1           HG3      MET   1  10.092  11.082  17.188
    9    HE1  MET   1           HE1      MET   1   7.007  11.759  16.862
   10    HE2  MET   1           HE2      MET   1   7.632  10.127  17.208
   11    HE3  MET   1           HE3      MET   1   6.313  10.806  18.189
   12    H    ALA   2           H        ALA   2  11.404  12.292  14.930
   13    HA   ALA   2           HA       ALA   2  10.631  15.011  14.163
   14    HB1  ALA   2           HB1      ALA   2  12.114  15.042  12.175
   15    HB2  ALA   2           HB2      ALA   2  13.061  15.009  13.668
   16    HB3  ALA   2           HB3      ALA   2  12.866  13.526  12.703
   17    H    SER   3           H        SER   3   9.585  15.037  11.994
   18    HA   SER   3           HA       SER   3   7.867  12.702  11.608
   19    HB2  SER   3           HB2      SER   3   6.822  14.201   9.863
   20    HB3  SER   3           HB3      SER   3   6.821  14.833  11.515
   21    HG   SER   3           HG       SER   3   7.462  16.438   9.975
   22    HA   PRO   4           HA       PRO   4  10.083  10.965   8.114
   23    HB2  PRO   4           HB2      PRO   4   8.124   9.695   6.721
   24    HB3  PRO   4           HB3      PRO   4   8.641   9.164   8.351
   25    HG2  PRO   4           HG2      PRO   4   6.282  10.939   7.636
   26    HG3  PRO   4           HG3      PRO   4   6.288   9.483   8.681
   27    HD2  PRO   4           HD2      PRO   4   6.455  11.992   9.713
   28    HD3  PRO   4           HD3      PRO   4   7.370  10.639  10.438
   29    H    HIS   5           H        HIS   5  10.278  11.075   5.736
   30    HA   HIS   5           HA       HIS   5   8.784  13.123   4.271
   31    HB2  HIS   5           HB2      HIS   5  10.425  14.408   5.662
   32    HB3  HIS   5           HB3      HIS   5  11.742  13.506   4.921
   33    HD1  HIS   5           HD1      HIS   5  12.631  14.534   2.642
   34    HD2  HIS   5           HD2      HIS   5   8.912  16.020   3.939
   35    HE1  HIS   5           HE1      HIS   5  12.026  16.436   1.058
   36    H    GLN   6           H        GLN   6   9.304  13.182   1.998
   37    HA   GLN   6           HA       GLN   6  11.175  11.300   0.805
   38    HB2  GLN   6           HB2      GLN   6   9.346   9.768   1.379
   39    HB3  GLN   6           HB3      GLN   6   8.159  10.839   0.627
   40    HG2  GLN   6           HG2      GLN   6   9.012  10.363  -1.586
   41    HG3  GLN   6           HG3      GLN   6  10.448   9.565  -0.934
   42   HE21  GLN   6          HE22      GLN   6   6.822   9.198  -0.474
   43   HE22  GLN   6          HE21      GLN   6   6.900   7.453  -0.654
   44    H    GLU   7           H        GLU   7  11.653  11.890  -1.316
   45    HA   GLU   7           HA       GLU   7  10.123  14.111  -2.563
   46    HB2  GLU   7           HB2      GLU   7  11.991  15.046  -1.251
   47    HB3  GLU   7           HB3      GLU   7  13.133  14.019  -2.117
   48    HG2  GLU   7           HG2      GLU   7  12.543  15.178  -4.242
   49    HG3  GLU   7           HG3      GLU   7  11.405  16.200  -3.356
   50    HA   PRO   8           HA       PRO   8  10.769  11.272  -5.975
   51    HB2  PRO   8           HB2      PRO   8   9.644  12.635  -8.035
   52    HB3  PRO   8           HB3      PRO   8   8.680  11.966  -6.686
   53    HG2  PRO   8           HG2      PRO   8   9.699  14.806  -6.996
   54    HG3  PRO   8           HG3      PRO   8   8.042  14.264  -6.583
   55    HD2  PRO   8           HD2      PRO   8   9.840  15.019  -4.675
   56    HD3  PRO   8           HD3      PRO   8   8.671  13.694  -4.386
   57    H    LYS   9           H        LYS   9  12.254  10.835  -7.496
   58    HA   LYS   9           HA       LYS   9  13.977  12.998  -8.596
   59    HB2  LYS   9           HB2      LYS   9  14.727  10.313  -7.360
   60    HB3  LYS   9           HB3      LYS   9  15.847  11.173  -8.400
   61    HG2  LYS   9           HG2      LYS   9  14.663  12.316  -5.837
   62    HG3  LYS   9           HG3      LYS   9  16.238  11.533  -5.970
   63    HD2  LYS   9           HD2      LYS   9  16.982  13.271  -7.608
   64    HD3  LYS   9           HD3      LYS   9  15.416  14.061  -7.485
   65    HE2  LYS   9           HE2      LYS   9  16.872  15.305  -6.090
   66    HE3  LYS   9           HE3      LYS   9  15.777  14.418  -5.029
   67    HZ1  LYS   9           HZ1      LYS   9  18.087  14.324  -4.265
   68    HZ2  LYS   9           HZ2      LYS   9  17.580  12.816  -4.625
   69    HZ3  LYS   9           HZ3      LYS   9  18.580  13.614  -5.651
   70    HA   PRO  10           HA       PRO  10  13.540  11.599 -12.706
   71    HB2  PRO  10           HB2      PRO  10  16.533  11.157 -12.713
   72    HB3  PRO  10           HB3      PRO  10  15.497  11.884 -13.989
   73    HG2  PRO  10           HG2      PRO  10  16.857  13.488 -12.304
   74    HG3  PRO  10           HG3      PRO  10  15.130  13.841 -12.634
   75    HD2  PRO  10           HD2      PRO  10  16.348  12.427 -10.253
   76    HD3  PRO  10           HD3      PRO  10  15.078  13.691 -10.286
   77    H    GLY  11           H        GLY  11  12.741   9.751 -13.442
   78    HA2  GLY  11           HA2      GLY  11  12.813   7.509 -14.190
   79    HA3  GLY  11           HA3      GLY  11  14.112   7.141 -13.027
   80    H    ASP  12           H        ASP  12  12.081   8.770 -11.066
   81    HA   ASP  12           HA       ASP  12  11.065   6.424  -9.848
   82    HB2  ASP  12           HB2      ASP  12  10.454   9.353  -9.382
   83    HB3  ASP  12           HB3      ASP  12   9.728   8.060  -8.454
   84    H    LEU  13           H        LEU  13   9.152   5.496  -9.714
   85    HA   LEU  13           HA       LEU  13   6.995   6.218 -11.635
   86    HB2  LEU  13           HB2      LEU  13   7.476   3.807  -9.819
   87    HB3  LEU  13           HB3      LEU  13   6.045   3.996 -10.826
   88    HG   LEU  13           HG       LEU  13   8.894   3.864 -11.930
   89   HD11  LEU  13          HD11      LEU  13   8.332   1.557 -12.597
   90   HD12  LEU  13          HD12      LEU  13   8.274   1.738 -10.835
   91   HD13  LEU  13          HD13      LEU  13   6.763   1.684 -11.767
   92   HD21  LEU  13          HD21      LEU  13   7.768   3.479 -14.089
   93   HD22  LEU  13          HD22      LEU  13   6.183   3.606 -13.299
   94   HD23  LEU  13          HD23      LEU  13   7.232   5.025 -13.408
   95    H    ILE  14           H        ILE  14   5.214   7.267 -10.967
   96    HA   ILE  14           HA       ILE  14   4.778   7.616  -8.011
   97    HB   ILE  14           HB       ILE  14   4.357   9.614 -10.278
   98   HG12  ILE  14          HG12      ILE  14   6.242   9.550  -7.889
   99   HG13  ILE  14          HG13      ILE  14   6.702   9.421  -9.587
  100   HG21  ILE  14          HG21      ILE  14   3.706   9.945  -7.307
  101   HG22  ILE  14          HG22      ILE  14   3.512  11.173  -8.581
  102   HG23  ILE  14          HG23      ILE  14   2.500   9.750  -8.602
  103   HD11  ILE  14          HD11      ILE  14   5.612  11.896  -8.192
  104   HD12  ILE  14          HD12      ILE  14   7.245  11.621  -8.806
  105   HD13  ILE  14          HD13      ILE  14   5.893  11.762  -9.952
  106    H    GLU  15           H        GLU  15   2.822   7.093  -7.273
  107    HA   GLU  15           HA       GLU  15   0.711   6.158  -9.182
  108    HB2  GLU  15           HB2      GLU  15   0.777   5.614  -6.200
  109    HB3  GLU  15           HB3      GLU  15  -0.098   4.760  -7.482
  110    HG2  GLU  15           HG2      GLU  15   2.275   4.072  -8.333
  111    HG3  GLU  15           HG3      GLU  15   2.853   4.649  -6.766
  112    H    ILE  16           H        ILE  16  -1.269   7.205  -9.137
  113    HA   ILE  16           HA       ILE  16  -1.663   9.404  -7.136
  114    HB   ILE  16           HB       ILE  16  -2.309   9.568 -10.091
  115   HG12  ILE  16          HG12      ILE  16   0.116  10.808  -8.725
  116   HG13  ILE  16          HG13      ILE  16   0.170   9.422  -9.818
  117   HG21  ILE  16          HG21      ILE  16  -2.744  11.923  -9.615
  118   HG22  ILE  16          HG22      ILE  16  -3.616  10.972  -8.412
  119   HG23  ILE  16          HG23      ILE  16  -2.101  11.752  -7.965
  120   HD11  ILE  16          HD11      ILE  16   0.821  11.386 -11.023
  121   HD12  ILE  16          HD12      ILE  16  -0.707  10.761 -11.668
  122   HD13  ILE  16          HD13      ILE  16  -0.699  12.208 -10.625
  123    H    PHE  17           H        PHE  17  -3.437   9.073  -6.035
  124    HA   PHE  17           HA       PHE  17  -5.376   7.036  -6.926
  125    HB2  PHE  17           HB2      PHE  17  -5.003   8.310  -4.197
  126    HB3  PHE  17           HB3      PHE  17  -5.930   6.864  -4.575
  127    HD1  PHE  17           HD2      PHE  17  -4.547   4.925  -5.814
  128    HD2  PHE  17           HD1      PHE  17  -2.776   8.068  -3.442
  129    HE1  PHE  17           HE2      PHE  17  -2.475   3.584  -5.574
  130    HE2  PHE  17           HE1      PHE  17  -0.722   6.712  -3.187
  131    HZ   PHE  17           HZ       PHE  17  -0.559   4.471  -4.275
  132    H    ARG  18           H        ARG  18  -6.003   8.830  -8.523
  133    HA   ARG  18           HA       ARG  18  -7.632  11.036  -7.634
  134    HB2  ARG  18           HB2      ARG  18  -7.813   9.658 -10.349
  135    HB3  ARG  18           HB3      ARG  18  -8.238  11.317  -9.945
  136    HG2  ARG  18           HG2      ARG  18  -5.707  11.654  -9.422
  137    HG3  ARG  18           HG3      ARG  18  -5.470  10.081 -10.185
  138    HD2  ARG  18           HD2      ARG  18  -5.084  11.719 -11.865
  139    HD3  ARG  18           HD3      ARG  18  -6.650  10.953 -12.224
  140    HE   ARG  18           HE       ARG  18  -6.775  13.422 -10.625
  141   HH11  ARG  18          HH11      ARG  18  -6.780  12.217 -13.989
  142   HH12  ARG  18          HH12      ARG  18  -7.552  13.662 -14.566
  143   HH21  ARG  18          HH21      ARG  18  -7.806  15.219 -11.476
  144   HH22  ARG  18          HH22      ARG  18  -8.107  15.328 -13.180
  145    H    LEU  19           H        LEU  19  -9.932  11.342  -7.984
  146    HA   LEU  19           HA       LEU  19 -11.675   9.248  -7.145
  147    HB2  LEU  19           HB2      LEU  19 -12.114  11.680  -6.858
  148    HB3  LEU  19           HB3      LEU  19 -12.236  11.873  -8.602
  149    HG   LEU  19           HG       LEU  19 -14.254  10.416  -8.628
  150   HD11  LEU  19          HD11      LEU  19 -15.393   9.882  -6.479
  151   HD12  LEU  19          HD12      LEU  19 -13.861   9.020  -6.627
  152   HD13  LEU  19          HD13      LEU  19 -13.971  10.459  -5.587
  153   HD21  LEU  19          HD21      LEU  19 -14.461  12.864  -8.457
  154   HD22  LEU  19          HD22      LEU  19 -15.766  12.054  -7.578
  155   HD23  LEU  19          HD23      LEU  19 -14.402  12.757  -6.683
  156    H    GLY  20           H        GLY  20 -12.870   7.751  -8.297
  157    HA2  GLY  20           HA2      GLY  20 -13.608   6.474 -10.121
  158    HA3  GLY  20           HA3      GLY  20 -12.965   7.693 -11.241
  159    H    TYR  21           H        TYR  21 -11.504   6.686 -12.488
  160    HA   TYR  21           HA       TYR  21  -9.788   4.547 -11.576
  161    HB2  TYR  21           HB2      TYR  21  -9.893   6.140 -14.141
  162    HB3  TYR  21           HB3      TYR  21  -8.672   4.919 -13.829
  163    HD1  TYR  21           HD1      TYR  21  -9.293   2.536 -13.443
  164    HD2  TYR  21           HD2      TYR  21 -12.169   5.477 -14.731
  165    HE1  TYR  21           HE1      TYR  21 -10.855   0.713 -14.088
  166    HE2  TYR  21           HE2      TYR  21 -13.744   3.660 -15.375
  167    HH   TYR  21           HH       TYR  21 -14.145   1.396 -15.393
  168    H    GLU  22           H        GLU  22  -7.822   4.575 -10.817
  169    HA   GLU  22           HA       GLU  22  -6.416   6.916  -9.943
  170    HB2  GLU  22           HB2      GLU  22  -5.402   4.064 -10.274
  171    HB3  GLU  22           HB3      GLU  22  -4.711   5.331  -9.273
  172    HG2  GLU  22           HG2      GLU  22  -5.796   4.030  -7.723
  173    HG3  GLU  22           HG3      GLU  22  -6.965   5.323  -7.992
  174    H    HIS  23           H        HIS  23  -4.071   7.305 -10.581
  175    HA   HIS  23           HA       HIS  23  -3.514   6.850 -13.489
  176    HB2  HIS  23           HB2      HIS  23  -3.454   9.490 -12.003
  177    HB3  HIS  23           HB3      HIS  23  -2.572   9.213 -13.498
  178    HD1  HIS  23           HD1      HIS  23  -6.050   7.692 -13.555
  179    HD2  HIS  23           HD2      HIS  23  -4.052  11.279 -14.436
  180    HE1  HIS  23           HE1      HIS  23  -7.699   9.130 -14.864
  181    H    TRP  24           H        TRP  24  -1.215   7.122 -14.001
  182    HA   TRP  24           HA       TRP  24   0.684   7.027 -11.720
  183    HB2  TRP  24           HB2      TRP  24   0.428   4.906 -13.875
  184    HB3  TRP  24           HB3      TRP  24   1.882   5.165 -12.930
  185    HD1  TRP  24           HD1      TRP  24   2.105   4.113 -10.654
  186    HE1  TRP  24           HE1      TRP  24   0.657   2.605  -9.149
  187    HE3  TRP  24           HE3      TRP  24  -2.304   4.434 -13.217
  188    HZ2  TRP  24           HZ2      TRP  24  -2.047   1.620  -9.124
  189    HZ3  TRP  24           HZ3      TRP  24  -4.311   3.226 -12.423
  190    HH2  TRP  24           HH2      TRP  24  -4.193   1.799 -10.385
  191    H    ALA  25           H        ALA  25   2.757   7.709 -12.233
  192    HA   ALA  25           HA       ALA  25   3.210   8.907 -14.934
  193    HB1  ALA  25           HB1      ALA  25   2.100  10.594 -13.459
  194    HB2  ALA  25           HB2      ALA  25   3.425  10.420 -12.292
  195    HB3  ALA  25           HB3      ALA  25   3.746  11.049 -13.921
  196    H    LEU  26           H        LEU  26   5.320   9.346 -15.474
  197    HA   LEU  26           HA       LEU  26   7.499   8.101 -13.848
  198    HB2  LEU  26           HB2      LEU  26   6.936   7.445 -16.315
  199    HB3  LEU  26           HB3      LEU  26   7.570   9.008 -16.766
  200    HG   LEU  26           HG       LEU  26   9.223   7.369 -17.179
  201   HD11  LEU  26          HD11      LEU  26  10.064   9.507 -16.166
  202   HD12  LEU  26          HD12      LEU  26  10.171   8.665 -14.596
  203   HD13  LEU  26          HD13      LEU  26  11.145   8.116 -15.966
  204   HD21  LEU  26          HD21      LEU  26   9.048   6.469 -14.263
  205   HD22  LEU  26          HD22      LEU  26   8.369   5.597 -15.661
  206   HD23  LEU  26          HD23      LEU  26  10.116   5.811 -15.515
  207    H    TYR  27           H        TYR  27   8.590   9.601 -12.614
  208    HA   TYR  27           HA       TYR  27   8.380  12.474 -13.202
  209    HB2  TYR  27           HB2      TYR  27   8.268  11.497 -10.920
  210    HB3  TYR  27           HB3      TYR  27   9.938  10.999 -11.060
  211    HD1  TYR  27           HD2      TYR  27  11.746  12.700 -11.137
  212    HD2  TYR  27           HD1      TYR  27   7.649  13.818 -10.467
  213    HE1  TYR  27           HE2      TYR  27  12.505  14.843 -10.106
  214    HE2  TYR  27           HE1      TYR  27   8.396  16.002  -9.540
  215    HH   TYR  27           HH       TYR  27  11.861  16.804  -9.079
  216    H    ILE  28           H        ILE  28   9.828  13.772 -14.172
  217    HA   ILE  28           HA       ILE  28  12.318  12.430 -15.239
  218    HB   ILE  28           HB       ILE  28  12.082  13.756 -17.224
  219   HG12  ILE  28          HG12      ILE  28   9.417  14.807 -16.190
  220   HG13  ILE  28          HG13      ILE  28  10.918  15.744 -16.140
  221   HG21  ILE  28          HG21      ILE  28  10.258  12.576 -18.216
  222   HG22  ILE  28          HG22      ILE  28  10.938  11.525 -16.979
  223   HG23  ILE  28          HG23      ILE  28   9.417  12.387 -16.670
  224   HD11  ILE  28          HD11      ILE  28   9.669  16.395 -18.088
  225   HD12  ILE  28          HD12      ILE  28  11.112  15.513 -18.623
  226   HD13  ILE  28          HD13      ILE  28   9.515  14.723 -18.638
  227    H    GLY  29           H        GLY  29  11.570  14.818 -13.036
  228    HA2  GLY  29           HA2      GLY  29  13.383  15.963 -11.872
  229    HA3  GLY  29           HA3      GLY  29  14.243  16.157 -13.404
  230    H    ASP  30           H        ASP  30  13.947  18.270 -11.814
  231    HA   ASP  30           HA       ASP  30  13.371  20.435 -11.709
  232    HB2  ASP  30           HB2      ASP  30  14.085  20.153 -14.120
  233    HB3  ASP  30           HB3      ASP  30  12.381  20.128 -14.565
  234    H    GLY  31           H        GLY  31  11.229  18.405 -11.051
  235    HA2  GLY  31           HA2      GLY  31   9.153  18.628  -9.992
  236    HA3  GLY  31           HA3      GLY  31   8.932  20.233 -10.728
  237    H    TYR  32           H        TYR  32   9.820  18.188 -13.235
  238    HA   TYR  32           HA       TYR  32   6.998  18.042 -14.097
  239    HB2  TYR  32           HB2      TYR  32   9.647  17.947 -15.554
  240    HB3  TYR  32           HB3      TYR  32   8.167  17.440 -16.333
  241    HD1  TYR  32           HD1      TYR  32   9.851  20.367 -14.761
  242    HD2  TYR  32           HD2      TYR  32   6.533  18.976 -17.129
  243    HE1  TYR  32           HE1      TYR  32   9.278  22.719 -15.335
  244    HE2  TYR  32           HE2      TYR  32   5.962  21.322 -17.720
  245    HH   TYR  32           HH       TYR  32   6.537  23.552 -17.510
  246    H    VAL  33           H        VAL  33   6.053  16.344 -15.127
  247    HA   VAL  33           HA       VAL  33   7.194  13.603 -14.752
  248    HB   VAL  33           HB       VAL  33   4.839  12.845 -14.283
  249   HG11  VAL  33          HG11      VAL  33   6.425  12.895 -12.460
  250   HG12  VAL  33          HG12      VAL  33   6.070  14.614 -12.152
  251   HG13  VAL  33          HG13      VAL  33   4.826  13.369 -11.894
  252   HG21  VAL  33          HG21      VAL  33   3.658  14.945 -15.016
  253   HG22  VAL  33          HG22      VAL  33   3.165  14.348 -13.421
  254   HG23  VAL  33          HG23      VAL  33   4.254  15.737 -13.549
  255    H    ILE  34           H        ILE  34   6.348  12.034 -16.153
  256    HA   ILE  34           HA       ILE  34   4.739  12.999 -18.492
  257    HB   ILE  34           HB       ILE  34   7.119  11.120 -18.358
  258   HG12  ILE  34          HG12      ILE  34   6.327  13.508 -20.095
  259   HG13  ILE  34          HG13      ILE  34   7.433  13.560 -18.730
  260   HG21  ILE  34          HG21      ILE  34   6.555  10.453 -20.736
  261   HG22  ILE  34          HG22      ILE  34   5.392   9.853 -19.571
  262   HG23  ILE  34          HG23      ILE  34   4.992  11.275 -20.562
  263   HD11  ILE  34          HD11      ILE  34   7.921  12.164 -21.375
  264   HD12  ILE  34          HD12      ILE  34   8.700  13.623 -20.764
  265   HD13  ILE  34          HD13      ILE  34   9.009  12.071 -19.974
  266    H    HIS  35           H        HIS  35   2.907  11.837 -18.974
  267    HA   HIS  35           HA       HIS  35   2.154   9.506 -17.283
  268    HB2  HIS  35           HB2      HIS  35   0.209  10.884 -16.403
  269    HB3  HIS  35           HB3      HIS  35   1.784  11.378 -15.802
  270    HD1  HIS  35           HD1      HIS  35  -1.122  12.773 -17.804
  271    HD2  HIS  35           HD2      HIS  35   2.866  13.704 -16.871
  272    HE1  HIS  35           HE1      HIS  35  -0.758  15.199 -18.505
  273    H    LEU  36           H        LEU  36   0.211   8.441 -18.019
  274    HA   LEU  36           HA       LEU  36  -0.668   9.150 -20.762
  275    HB2  LEU  36           HB2      LEU  36  -0.153   6.800 -20.190
  276    HB3  LEU  36           HB3      LEU  36  -1.361   6.830 -18.904
  277    HG   LEU  36           HG       LEU  36  -3.143   7.143 -20.617
  278   HD11  LEU  36          HD11      LEU  36  -2.565   6.723 -23.028
  279   HD12  LEU  36          HD12      LEU  36  -1.879   8.223 -22.416
  280   HD13  LEU  36          HD13      LEU  36  -0.846   6.787 -22.605
  281   HD21  LEU  36          HD21      LEU  36  -2.587   4.874 -19.844
  282   HD22  LEU  36          HD22      LEU  36  -3.055   4.855 -21.543
  283   HD23  LEU  36          HD23      LEU  36  -1.338   4.732 -21.096
  284    H    ALA  37           H        ALA  37  -2.391  10.481 -21.082
  285    HA   ALA  37           HA       ALA  37  -3.836  11.441 -18.688
  286    HB1  ALA  37           HB1      ALA  37  -2.564  13.016 -20.118
  287    HB2  ALA  37           HB2      ALA  37  -3.566  12.564 -21.518
  288    HB3  ALA  37           HB3      ALA  37  -4.295  13.399 -20.129
  289    HA   PRO  38           HA       PRO  38  -7.540   9.427 -19.850
  290    HB2  PRO  38           HB2      PRO  38  -9.465  10.785 -18.474
  291    HB3  PRO  38           HB3      PRO  38  -8.190   9.826 -17.664
  292    HG2  PRO  38           HG2      PRO  38  -8.200  12.810 -18.167
  293    HG3  PRO  38           HG3      PRO  38  -7.866  11.945 -16.637
  294    HD2  PRO  38           HD2      PRO  38  -5.857  12.780 -18.280
  295    HD3  PRO  38           HD3      PRO  38  -5.746  11.230 -17.394
  296    HA   PRO  39           HA       PRO  39  -9.435  11.891 -23.176
  297    HB2  PRO  39           HB2      PRO  39 -11.089  10.054 -24.262
  298    HB3  PRO  39           HB3      PRO  39  -9.317   9.855 -24.311
  299    HG2  PRO  39           HG2      PRO  39 -11.264   8.633 -22.336
  300    HG3  PRO  39           HG3      PRO  39  -9.984   7.806 -23.283
  301    HD2  PRO  39           HD2      PRO  39  -9.627   8.672 -20.688
  302    HD3  PRO  39           HD3      PRO  39  -8.290   8.615 -21.881
  303    H    SER  40           H        SER  40 -11.579  12.701 -23.852
  304    HA   SER  40           HA       SER  40 -13.527  13.104 -21.713
  305    HB2  SER  40           HB2      SER  40 -13.735  13.622 -24.703
  306    HB3  SER  40           HB3      SER  40 -14.876  14.174 -23.469
  307    HG   SER  40           HG       SER  40 -13.332  15.823 -24.028
  308    H    GLU  41           H        GLU  41 -15.451  12.034 -21.374
  309    HA   GLU  41           HA       GLU  41 -15.543   9.334 -21.903
  310    HB2  GLU  41           HB2      GLU  41 -17.965  11.056 -21.232
  311    HB3  GLU  41           HB3      GLU  41 -17.766   9.328 -20.955
  312    HG2  GLU  41           HG2      GLU  41 -17.297  10.046 -18.860
  313    HG3  GLU  41           HG3      GLU  41 -15.663  10.125 -19.511
  314    H    TYR  42           H        TYR  42 -17.244  11.839 -23.753
  315    HA   TYR  42           HA       TYR  42 -18.070   9.825 -25.779
  316    HB2  TYR  42           HB2      TYR  42 -19.912  11.960 -24.662
  317    HB3  TYR  42           HB3      TYR  42 -20.314  10.751 -25.864
  318    HD1  TYR  42           HD1      TYR  42 -19.957   8.208 -25.044
  319    HD2  TYR  42           HD2      TYR  42 -20.581  11.596 -22.455
  320    HE1  TYR  42           HE1      TYR  42 -20.804   6.690 -23.271
  321    HE2  TYR  42           HE2      TYR  42 -21.424  10.083 -20.673
  322    HH   TYR  42           HH       TYR  42 -21.884   7.907 -20.065
  323    HA   PRO  43           HA       PRO  43 -16.938  13.240 -28.551
  324    HB2  PRO  43           HB2      PRO  43 -17.826  12.276 -30.930
  325    HB3  PRO  43           HB3      PRO  43 -16.404  11.595 -30.085
  326    HG2  PRO  43           HG2      PRO  43 -19.257  10.577 -30.061
  327    HG3  PRO  43           HG3      PRO  43 -17.755   9.642 -30.326
  328    HD2  PRO  43           HD2      PRO  43 -18.976   9.765 -27.883
  329    HD3  PRO  43           HD3      PRO  43 -17.199   9.691 -28.043
  330    H    GLY  44           H        GLY  44 -20.276  11.949 -28.393
  331    HA2  GLY  44           HA2      GLY  44 -21.367  14.722 -28.737
  332    HA3  GLY  44           HA3      GLY  44 -22.088  13.318 -29.531
  333    H    ALA  45           H        ALA  45 -24.047  13.678 -28.468
  334    HA   ALA  45           HA       ALA  45 -24.212  13.388 -25.528
  335    HB1  ALA  45           HB1      ALA  45 -25.560  15.109 -26.679
  336    HB2  ALA  45           HB2      ALA  45 -26.360  13.847 -27.644
  337    HB3  ALA  45           HB3      ALA  45 -26.592  13.908 -25.881
  338    H    GLY  46           H        GLY  46 -25.645  11.855 -24.539
  339    HA2  GLY  46           HA2      GLY  46 -26.938   9.897 -24.397
  340    HA3  GLY  46           HA3      GLY  46 -26.442   9.412 -26.030
  341    H    SER  47           H        SER  47 -26.554   7.728 -23.772
  342    HA   SER  47           HA       SER  47 -24.010   7.388 -22.492
  343    HB2  SER  47           HB2      SER  47 -26.291   5.402 -22.750
  344    HB3  SER  47           HB3      SER  47 -25.002   5.400 -21.532
  345    HG   SER  47           HG       SER  47 -26.958   6.345 -20.719
  346    H    SER  48           H        SER  48 -24.971   6.371 -25.645
  347    HA   SER  48           HA       SER  48 -22.841   4.287 -25.814
  348    HB2  SER  48           HB2      SER  48 -23.732   3.943 -28.101
  349    HB3  SER  48           HB3      SER  48 -24.937   3.684 -26.833
  350    HG   SER  48           HG       SER  48 -25.875   4.921 -28.493
  351    H    SER  49           H        SER  49 -23.530   6.407 -28.459
  352    HA   SER  49           HA       SER  49 -22.457   8.015 -29.634
  353    HB2  SER  49           HB2      SER  49 -22.922   9.153 -27.450
  354    HB3  SER  49           HB3      SER  49 -21.263   8.810 -26.959
  355    HG   SER  49           HG       SER  49 -22.144  10.433 -29.149
  356    H    VAL  50           H        VAL  50 -20.036   6.684 -27.391
  357    HA   VAL  50           HA       VAL  50 -17.769   7.673 -28.780
  358    HB   VAL  50           HB       VAL  50 -17.992   7.060 -26.364
  359   HG11  VAL  50          HG11      VAL  50 -17.477   4.818 -25.591
  360   HG12  VAL  50          HG12      VAL  50 -18.908   4.764 -26.623
  361   HG13  VAL  50          HG13      VAL  50 -17.340   4.218 -27.252
  362   HG21  VAL  50          HG21      VAL  50 -15.501   5.928 -27.695
  363   HG22  VAL  50          HG22      VAL  50 -15.827   7.650 -27.400
  364   HG23  VAL  50          HG23      VAL  50 -15.657   6.537 -26.034
  365    H    PHE  51           H        PHE  51 -19.557   4.756 -29.429
  366    HA   PHE  51           HA       PHE  51 -17.433   3.136 -30.378
  367    HB2  PHE  51           HB2      PHE  51 -20.374   2.990 -31.121
  368    HB3  PHE  51           HB3      PHE  51 -19.212   1.675 -31.169
  369    HD1  PHE  51           HD2      PHE  51 -17.841   1.642 -28.642
  370    HD2  PHE  51           HD1      PHE  51 -21.968   2.609 -29.441
  371    HE1  PHE  51           HE2      PHE  51 -18.441   1.034 -26.313
  372    HE2  PHE  51           HE1      PHE  51 -22.566   1.956 -27.127
  373    HZ   PHE  51           HZ       PHE  51 -20.797   1.195 -25.546
  374    H    SER  52           H        SER  52 -18.870   5.836 -31.985
  375    HA   SER  52           HA       SER  52 -18.478   4.825 -34.707
  376    HB2  SER  52           HB2      SER  52 -19.316   7.024 -35.353
  377    HB3  SER  52           HB3      SER  52 -20.337   6.309 -34.093
  378    HG   SER  52           HG       SER  52 -19.871   8.525 -33.639
  379    H    VAL  53           H        VAL  53 -16.282   6.240 -32.467
  380    HA   VAL  53           HA       VAL  53 -14.328   6.858 -34.578
  381    HB   VAL  53           HB       VAL  53 -15.836   8.869 -34.446
  382   HG11  VAL  53          HG11      VAL  53 -14.566   9.383 -31.725
  383   HG12  VAL  53          HG12      VAL  53 -15.707  10.416 -32.605
  384   HG13  VAL  53          HG13      VAL  53 -16.239   8.848 -31.974
  385   HG21  VAL  53          HG21      VAL  53 -14.063  10.507 -34.528
  386   HG22  VAL  53          HG22      VAL  53 -12.951   9.413 -33.685
  387   HG23  VAL  53          HG23      VAL  53 -13.529   9.014 -35.317
  388    H    LEU  54           H        LEU  54 -12.231   6.929 -33.965
  389    HA   LEU  54           HA       LEU  54 -11.589   5.687 -31.418
  390    HB2  LEU  54           HB2      LEU  54 -10.704   5.041 -33.678
  391    HB3  LEU  54           HB3      LEU  54  -9.837   6.573 -33.753
  392    HG   LEU  54           HG       LEU  54  -8.414   5.881 -31.850
  393   HD11  LEU  54          HD11      LEU  54  -9.993   3.269 -31.936
  394   HD12  LEU  54          HD12      LEU  54  -8.489   3.534 -31.023
  395   HD13  LEU  54          HD13      LEU  54  -9.949   4.425 -30.584
  396   HD21  LEU  54          HD21      LEU  54  -7.755   5.344 -34.159
  397   HD22  LEU  54          HD22      LEU  54  -7.180   4.116 -33.021
  398   HD23  LEU  54          HD23      LEU  54  -8.592   3.781 -34.045
  399    H    SER  55           H        SER  55 -11.637   8.991 -32.413
  400    HA   SER  55           HA       SER  55  -9.415  10.137 -31.273
  401    HB2  SER  55           HB2      SER  55 -12.228  11.303 -31.291
  402    HB3  SER  55           HB3      SER  55 -10.705  12.212 -31.190
  403    HG   SER  55           HG       SER  55 -11.454  12.153 -33.363
  404    H    ASN  56           H        ASN  56 -12.163   8.932 -29.443
  405    HA   ASN  56           HA       ASN  56 -11.509  10.263 -26.940
  406    HB2  ASN  56           HB2      ASN  56 -13.360   7.934 -27.587
  407    HB3  ASN  56           HB3      ASN  56 -13.275   8.769 -26.033
  408   HD21  ASN  56          HD22      ASN  56 -14.227  10.860 -25.799
  409   HD22  ASN  56          HD21      ASN  56 -15.050  11.665 -27.128
  410    H    SER  57           H        SER  57  -9.189   9.143 -27.864
  411    HA   SER  57           HA       SER  57  -8.632   6.726 -26.172
  412    HB2  SER  57           HB2      SER  57  -7.110   7.913 -28.528
  413    HB3  SER  57           HB3      SER  57  -6.523   6.589 -27.518
  414    HG   SER  57           HG       SER  57  -8.806   6.615 -29.220
  415    H    ALA  58           H        ALA  58  -6.616   6.728 -24.928
  416    HA   ALA  58           HA       ALA  58  -6.145   9.270 -23.505
  417    HB1  ALA  58           HB1      ALA  58  -4.776   7.817 -22.075
  418    HB2  ALA  58           HB2      ALA  58  -6.385   7.115 -22.307
  419    HB3  ALA  58           HB3      ALA  58  -4.996   6.452 -23.197
  420    H    GLU  59           H        GLU  59  -4.132  10.336 -23.422
  421    HA   GLU  59           HA       GLU  59  -2.218   9.704 -25.645
  422    HB2  GLU  59           HB2      GLU  59  -3.697  11.752 -26.036
  423    HB3  GLU  59           HB3      GLU  59  -2.878  12.502 -24.654
  424    HG2  GLU  59           HG2      GLU  59  -0.690  12.210 -25.822
  425    HG3  GLU  59           HG3      GLU  59  -1.515  11.447 -27.183
  426    H    VAL  60           H        VAL  60  -0.057   9.684 -25.077
  427    HA   VAL  60           HA       VAL  60   0.680  10.010 -22.247
  428    HB   VAL  60           HB       VAL  60   2.470   9.723 -24.666
  429   HG11  VAL  60          HG11      VAL  60   3.636  10.685 -22.667
  430   HG12  VAL  60          HG12      VAL  60   3.031   9.358 -21.681
  431   HG13  VAL  60          HG13      VAL  60   4.199   9.054 -22.998
  432   HG21  VAL  60          HG21      VAL  60   1.516   7.587 -22.694
  433   HG22  VAL  60          HG22      VAL  60   1.051   7.707 -24.409
  434   HG23  VAL  60          HG23      VAL  60   2.721   7.352 -23.974
  435    H    LYS  61           H        LYS  61   1.158  11.899 -21.328
  436    HA   LYS  61           HA       LYS  61   1.984  14.261 -22.975
  437    HB2  LYS  61           HB2      LYS  61  -0.211  14.019 -20.882
  438    HB3  LYS  61           HB3      LYS  61   0.462  15.579 -21.386
  439    HG2  LYS  61           HG2      LYS  61  -0.186  15.086 -23.746
  440    HG3  LYS  61           HG3      LYS  61  -0.957  13.583 -23.209
  441    HD2  LYS  61           HD2      LYS  61  -2.448  14.845 -21.721
  442    HD3  LYS  61           HD3      LYS  61  -1.698  16.366 -22.182
  443    HE2  LYS  61           HE2      LYS  61  -3.314  14.509 -23.998
  444    HE3  LYS  61           HE3      LYS  61  -3.892  15.991 -23.238
  445    HZ1  LYS  61           HZ1      LYS  61  -3.285  16.535 -25.449
  446    HZ2  LYS  61           HZ2      LYS  61  -2.107  17.183 -24.527
  447    HZ3  LYS  61           HZ3      LYS  61  -1.840  15.786 -25.380
  448    H    ARG  62           H        ARG  62   2.918  16.008 -21.724
  449    HA   ARG  62           HA       ARG  62   4.422  15.171 -19.272
  450    HB2  ARG  62           HB2      ARG  62   5.849  15.480 -21.293
  451    HB3  ARG  62           HB3      ARG  62   5.210  17.107 -21.495
  452    HG2  ARG  62           HG2      ARG  62   6.224  17.775 -19.316
  453    HG3  ARG  62           HG3      ARG  62   6.828  16.122 -19.097
  454    HD2  ARG  62           HD2      ARG  62   8.641  17.529 -19.919
  455    HD3  ARG  62           HD3      ARG  62   8.205  16.364 -21.156
  456    HE   ARG  62           HE       ARG  62   7.404  18.051 -22.533
  457   HH11  ARG  62          HH11      ARG  62   8.264  19.577 -19.430
  458   HH12  ARG  62          HH12      ARG  62   8.097  21.170 -20.095
  459   HH21  ARG  62          HH21      ARG  62   7.212  20.134 -23.286
  460   HH22  ARG  62          HH22      ARG  62   7.539  21.480 -22.238
  461    H    GLU  63           H        GLU  63   4.125  16.482 -17.474
  462    HA   GLU  63           HA       GLU  63   3.691  19.324 -17.713
  463    HB2  GLU  63           HB2      GLU  63   1.329  17.605 -17.298
  464    HB3  GLU  63           HB3      GLU  63   1.546  18.720 -15.975
  465    HG2  GLU  63           HG2      GLU  63   1.215  19.458 -18.886
  466    HG3  GLU  63           HG3      GLU  63   0.080  19.713 -17.572
  467    H    ARG  64           H        ARG  64   3.226  20.226 -15.350
  468    HA   ARG  64           HA       ARG  64   5.404  19.306 -13.649
  469    HB2  ARG  64           HB2      ARG  64   3.237  21.392 -13.262
  470    HB3  ARG  64           HB3      ARG  64   4.519  21.068 -12.081
  471    HG2  ARG  64           HG2      ARG  64   6.236  21.592 -13.808
  472    HG3  ARG  64           HG3      ARG  64   4.948  21.976 -14.965
  473    HD2  ARG  64           HD2      ARG  64   4.135  23.771 -13.464
  474    HD3  ARG  64           HD3      ARG  64   5.441  23.396 -12.319
  475    HE   ARG  64           HE       ARG  64   6.538  23.861 -14.926
  476   HH11  ARG  64          HH11      ARG  64   5.102  25.748 -12.291
  477   HH12  ARG  64          HH12      ARG  64   5.964  27.187 -12.735
  478   HH21  ARG  64          HH21      ARG  64   7.613  25.741 -15.447
  479   HH22  ARG  64          HH22      ARG  64   7.367  27.182 -14.507
  480    H    LEU  65           H        LEU  65   5.334  18.184 -11.754
  481    HA   LEU  65           HA       LEU  65   3.432  16.190 -11.314
  482    HB2  LEU  65           HB2      LEU  65   5.692  16.153 -10.369
  483    HB3  LEU  65           HB3      LEU  65   5.347  17.553  -9.358
  484    HG   LEU  65           HG       LEU  65   3.724  16.243  -8.038
  485   HD11  LEU  65          HD11      LEU  65   3.523  13.813  -8.291
  486   HD12  LEU  65          HD12      LEU  65   3.006  14.596  -9.790
  487   HD13  LEU  65          HD13      LEU  65   4.612  13.841  -9.694
  488   HD21  LEU  65          HD21      LEU  65   6.099  16.342  -7.370
  489   HD22  LEU  65          HD22      LEU  65   5.360  14.801  -6.911
  490   HD23  LEU  65          HD23      LEU  65   6.430  14.880  -8.324
  491    H    GLU  66           H        GLU  66   3.572  19.283  -9.477
  492    HA   GLU  66           HA       GLU  66   1.348  18.904  -7.829
  493    HB2  GLU  66           HB2      GLU  66   1.921  21.616  -9.073
  494    HB3  GLU  66           HB3      GLU  66   1.246  21.232  -7.488
  495    HG2  GLU  66           HG2      GLU  66   3.505  20.179  -6.938
  496    HG3  GLU  66           HG3      GLU  66   4.073  20.866  -8.477
  497    H    ASP  67           H        ASP  67   1.408  20.460 -11.055
  498    HA   ASP  67           HA       ASP  67  -1.364  20.899 -11.228
  499    HB2  ASP  67           HB2      ASP  67   0.780  20.651 -13.373
  500    HB3  ASP  67           HB3      ASP  67  -0.887  21.083 -13.733
  501    H    VAL  68           H        VAL  68   0.564  18.083 -12.234
  502    HA   VAL  68           HA       VAL  68  -1.598  16.690 -13.484
  503    HB   VAL  68           HB       VAL  68   1.101  15.755 -12.492
  504   HG11  VAL  68          HG11      VAL  68   0.714  13.640 -13.751
  505   HG12  VAL  68          HG12      VAL  68  -0.322  13.776 -12.332
  506   HG13  VAL  68          HG13      VAL  68  -0.996  14.082 -13.949
  507   HG21  VAL  68          HG21      VAL  68   1.049  17.200 -14.495
  508   HG22  VAL  68          HG22      VAL  68   1.492  15.554 -14.949
  509   HG23  VAL  68          HG23      VAL  68  -0.149  16.141 -15.259
  510    H    VAL  69           H        VAL  69  -0.230  16.400 -10.093
  511    HA   VAL  69           HA       VAL  69  -2.119  14.362  -9.430
  512    HB   VAL  69           HB       VAL  69  -1.381  14.602  -7.172
  513   HG11  VAL  69          HG11      VAL  69  -0.045  13.223  -8.591
  514   HG12  VAL  69          HG12      VAL  69   0.859  14.614  -9.209
  515   HG13  VAL  69          HG13      VAL  69   1.049  14.108  -7.522
  516   HG21  VAL  69          HG21      VAL  69   0.185  17.034  -8.023
  517   HG22  VAL  69          HG22      VAL  69  -1.112  16.964  -6.818
  518   HG23  VAL  69          HG23      VAL  69   0.431  16.171  -6.505
  519    H    GLY  70           H        GLY  70  -2.211  17.940  -9.058
  520    HA2  GLY  70           HA2      GLY  70  -3.968  19.340  -8.523
  521    HA3  GLY  70           HA3      GLY  70  -5.060  18.004  -8.930
  522    H    GLY  71           H        GLY  71  -6.489  17.915  -7.310
  523    HA2  GLY  71           HA2      GLY  71  -5.749  18.140  -4.460
  524    HA3  GLY  71           HA3      GLY  71  -7.374  17.903  -5.143
  525    H    CYS  72           H        CYS  72  -5.554  15.587  -6.645
  526    HA   CYS  72           HA       CYS  72  -6.665  13.408  -5.062
  527    HB2  CYS  72           HB2      CYS  72  -4.730  13.304  -7.404
  528    HB3  CYS  72           HB3      CYS  72  -5.773  12.012  -6.802
  529    HG   CYS  72           HG       CYS  72  -8.052  13.552  -7.118
  530    H    CYS  73           H        CYS  73  -5.507  11.789  -3.941
  531    HA   CYS  73           HA       CYS  73  -2.988  12.560  -2.657
  532    HB2  CYS  73           HB2      CYS  73  -4.849  11.298  -1.533
  533    HB3  CYS  73           HB3      CYS  73  -4.507   9.905  -2.577
  534    HG   CYS  73           HG       CYS  73  -3.510   9.522  -0.143
  535    H    TYR  74           H        TYR  74  -0.985  11.325  -2.803
  536    HA   TYR  74           HA       TYR  74  -0.553   9.516  -5.014
  537    HB2  TYR  74           HB2      TYR  74   0.876  10.848  -6.385
  538    HB3  TYR  74           HB3      TYR  74  -0.608  11.740  -6.177
  539    HD1  TYR  74           HD1      TYR  74  -0.653  13.710  -4.526
  540    HD2  TYR  74           HD2      TYR  74   2.987  11.748  -5.744
  541    HE1  TYR  74           HE1      TYR  74   0.652  15.679  -3.774
  542    HE2  TYR  74           HE2      TYR  74   4.301  13.719  -4.989
  543    HH   TYR  74           HH       TYR  74   2.752  16.633  -3.569
  544    H    ARG  75           H        ARG  75   1.705   8.786  -5.242
  545    HA   ARG  75           HA       ARG  75   3.659   9.447  -3.168
  546    HB2  ARG  75           HB2      ARG  75   3.768   7.311  -2.058
  547    HB3  ARG  75           HB3      ARG  75   2.109   7.877  -1.961
  548    HG2  ARG  75           HG2      ARG  75   1.529   6.367  -3.906
  549    HG3  ARG  75           HG3      ARG  75   3.191   5.756  -3.881
  550    HD2  ARG  75           HD2      ARG  75   2.872   4.979  -1.541
  551    HD3  ARG  75           HD3      ARG  75   1.187   5.545  -1.603
  552    HE   ARG  75           HE       ARG  75   1.804   3.770  -3.823
  553   HH11  ARG  75          HH11      ARG  75   0.975   3.570  -0.363
  554   HH12  ARG  75          HH12      ARG  75   0.284   1.987  -0.577
  555   HH21  ARG  75          HH21      ARG  75   0.956   1.894  -4.008
  556   HH22  ARG  75          HH22      ARG  75   0.270   1.001  -2.653
  557    H    VAL  76           H        VAL  76   5.739   8.404  -3.450
  558    HA   VAL  76           HA       VAL  76   6.317   7.466  -6.222
  559    HB   VAL  76           HB       VAL  76   8.131   7.945  -3.833
  560   HG11  VAL  76          HG11      VAL  76  10.043   7.570  -5.420
  561   HG12  VAL  76          HG12      VAL  76   9.138   6.096  -5.093
  562   HG13  VAL  76          HG13      VAL  76   8.889   6.961  -6.622
  563   HG21  VAL  76          HG21      VAL  76   9.044   9.785  -5.120
  564   HG22  VAL  76          HG22      VAL  76   8.045   9.367  -6.522
  565   HG23  VAL  76          HG23      VAL  76   7.288   9.989  -5.038
  566    H    ASN  77           H        ASN  77   6.686   5.315  -6.730
  567    HA   ASN  77           HA       ASN  77   7.128   3.308  -4.630
  568    HB2  ASN  77           HB2      ASN  77   4.659   3.567  -4.652
  569    HB3  ASN  77           HB3      ASN  77   4.637   3.175  -6.374
  570   HD21  ASN  77          HD22      ASN  77   3.067   1.556  -5.233
  571   HD22  ASN  77          HD21      ASN  77   3.783   0.003  -4.808
  572    H    ASN  78           H        ASN  78   9.123   3.127  -5.682
  573    HA   ASN  78           HA       ASN  78   9.296   2.246  -8.467
  574    HB2  ASN  78           HB2      ASN  78  11.389   2.599  -6.283
  575    HB3  ASN  78           HB3      ASN  78  11.753   2.152  -7.946
  576   HD21  ASN  78          HD22      ASN  78  12.989   4.362  -6.985
  577   HD22  ASN  78          HD21      ASN  78  12.314   5.791  -7.756
  578    H    SER  79           H        SER  79   7.669   0.393  -7.535
  579    HA   SER  79           HA       SER  79   8.640  -1.757  -5.987
  580    HB2  SER  79           HB2      SER  79   6.723  -2.995  -7.056
  581    HB3  SER  79           HB3      SER  79   6.291  -1.441  -6.319
  582    HG   SER  79           HG       SER  79   5.368  -1.726  -8.450
  583    H    LEU  80           H        LEU  80   8.882  -1.251  -9.523
  584    HA   LEU  80           HA       LEU  80   9.684  -3.920 -10.096
  585    HB2  LEU  80           HB2      LEU  80  10.681  -1.632 -11.768
  586    HB3  LEU  80           HB3      LEU  80  10.260  -3.293 -12.208
  587    HG   LEU  80           HG       LEU  80   8.278  -1.082 -11.524
  588   HD11  LEU  80          HD11      LEU  80   9.475  -0.749 -13.657
  589   HD12  LEU  80          HD12      LEU  80   9.014  -2.388 -14.178
  590   HD13  LEU  80          HD13      LEU  80   7.779  -1.143 -13.926
  591   HD21  LEU  80          HD21      LEU  80   7.789  -3.926 -12.521
  592   HD22  LEU  80          HD22      LEU  80   7.357  -3.293 -10.915
  593   HD23  LEU  80          HD23      LEU  80   6.556  -2.657 -12.361
  594    H    ASP  81           H        ASP  81  11.519  -1.422  -8.552
  595    HA   ASP  81           HA       ASP  81  14.153  -2.196  -9.399
  596    HB2  ASP  81           HB2      ASP  81  13.353  -0.088  -8.061
  597    HB3  ASP  81           HB3      ASP  81  13.473  -1.147  -6.639
  598    H    HIS  82           H        HIS  82  11.900  -3.577  -7.143
  599    HA   HIS  82           HA       HIS  82  13.932  -5.538  -6.179
  600    HB2  HIS  82           HB2      HIS  82  12.582  -5.895  -4.297
  601    HB3  HIS  82           HB3      HIS  82  12.734  -4.148  -4.528
  602    HD1  HIS  82           HD1      HIS  82  10.036  -6.821  -5.494
  603    HD2  HIS  82           HD2      HIS  82  10.536  -2.938  -3.964
  604    HE1  HIS  82           HE1      HIS  82   7.701  -5.965  -4.934
  605    H    GLU  83           H        GLU  83  12.259  -5.315  -8.831
  606    HA   GLU  83           HA       GLU  83  11.524  -8.211  -8.946
  607    HB2  GLU  83           HB2      GLU  83  10.518  -5.901 -10.697
  608    HB3  GLU  83           HB3      GLU  83  10.274  -7.626 -11.002
  609    HG2  GLU  83           HG2      GLU  83   9.331  -7.709  -8.553
  610    HG3  GLU  83           HG3      GLU  83   9.160  -5.964  -8.730
  611    H    TYR  84           H        TYR  84  13.110  -5.547 -10.703
  612    HA   TYR  84           HA       TYR  84  14.886  -7.521 -12.092
  613    HB2  TYR  84           HB2      TYR  84  13.939  -4.941 -13.349
  614    HB3  TYR  84           HB3      TYR  84  14.637  -6.352 -14.133
  615    HD1  TYR  84           HD1      TYR  84  13.216  -8.574 -14.075
  616    HD2  TYR  84           HD2      TYR  84  11.637  -4.655 -13.251
  617    HE1  TYR  84           HE1      TYR  84  10.907  -9.425 -14.450
  618    HE2  TYR  84           HE2      TYR  84   9.331  -5.495 -13.591
  619    HH   TYR  84           HH       TYR  84   8.007  -7.331 -14.119
  620    H    GLN  85           H        GLN  85  16.848  -6.507 -13.101
  621    HA   GLN  85           HA       GLN  85  18.417  -5.161 -11.141
  622    HB2  GLN  85           HB2      GLN  85  18.896  -5.808 -14.074
  623    HB3  GLN  85           HB3      GLN  85  20.124  -5.052 -13.075
  624    HG2  GLN  85           HG2      GLN  85  18.823  -7.733 -12.475
  625    HG3  GLN  85           HG3      GLN  85  20.403  -7.512 -13.219
  626   HE21  GLN  85          HE22      GLN  85  19.574  -8.841 -10.589
  627   HE22  GLN  85          HE21      GLN  85  20.579  -8.025  -9.397
  628    HA   PRO  86           HA       PRO  86  18.051  -0.779 -11.968
  629    HB2  PRO  86           HB2      PRO  86  21.053  -0.752 -12.262
  630    HB3  PRO  86           HB3      PRO  86  20.006   0.337 -11.303
  631    HG2  PRO  86           HG2      PRO  86  21.360  -1.656 -10.082
  632    HG3  PRO  86           HG3      PRO  86  19.643  -1.359  -9.649
  633    HD2  PRO  86           HD2      PRO  86  20.791  -3.431 -11.527
  634    HD3  PRO  86           HD3      PRO  86  19.566  -3.623 -10.233
  635    H    ARG  87           H        ARG  87  18.128   0.785 -13.596
  636    HA   ARG  87           HA       ARG  87  19.222   0.046 -16.276
  637    HB2  ARG  87           HB2      ARG  87  16.463   1.167 -15.611
  638    HB3  ARG  87           HB3      ARG  87  17.117   1.108 -17.240
  639    HG2  ARG  87           HG2      ARG  87  16.382  -1.247 -15.459
  640    HG3  ARG  87           HG3      ARG  87  15.570  -0.692 -16.923
  641    HD2  ARG  87           HD2      ARG  87  17.839  -1.142 -18.121
  642    HD3  ARG  87           HD3      ARG  87  18.256  -2.103 -16.704
  643    HE   ARG  87           HE       ARG  87  16.540  -2.821 -18.872
  644   HH11  ARG  87          HH11      ARG  87  16.790  -3.506 -15.372
  645   HH12  ARG  87          HH12      ARG  87  15.918  -4.995 -15.581
  646   HH21  ARG  87          HH21      ARG  87  15.422  -4.595 -19.010
  647   HH22  ARG  87          HH22      ARG  87  15.141  -5.631 -17.635
  648    HA   PRO  88           HA       PRO  88  20.880   4.163 -16.140
  649    HB2  PRO  88           HB2      PRO  88  21.191   4.835 -18.769
  650    HB3  PRO  88           HB3      PRO  88  22.164   3.583 -17.941
  651    HG2  PRO  88           HG2      PRO  88  19.712   3.179 -19.669
  652    HG3  PRO  88           HG3      PRO  88  21.278   2.309 -19.749
  653    HD2  PRO  88           HD2      PRO  88  19.084   1.332 -18.477
  654    HD3  PRO  88           HD3      PRO  88  20.740   1.033 -17.853
  655    H    VAL  89           H        VAL  89  19.617   5.703 -15.304
  656    HA   VAL  89           HA       VAL  89  16.909   6.082 -15.912
  657    HB   VAL  89           HB       VAL  89  18.885   7.832 -14.442
  658   HG11  VAL  89          HG11      VAL  89  17.146   9.410 -15.155
  659   HG12  VAL  89          HG12      VAL  89  15.877   8.291 -14.590
  660   HG13  VAL  89          HG13      VAL  89  17.002   9.055 -13.444
  661   HG21  VAL  89          HG21      VAL  89  18.315   5.637 -13.423
  662   HG22  VAL  89          HG22      VAL  89  17.692   6.972 -12.449
  663   HG23  VAL  89          HG23      VAL  89  16.593   6.054 -13.493
  664    H    GLU  90           H        GLU  90  19.635   7.870 -17.349
  665    HA   GLU  90           HA       GLU  90  18.121   9.872 -18.638
  666    HB2  GLU  90           HB2      GLU  90  19.966  10.116 -20.172
  667    HB3  GLU  90           HB3      GLU  90  20.543   9.904 -18.520
  668    HG2  GLU  90           HG2      GLU  90  21.068   7.492 -19.069
  669    HG3  GLU  90           HG3      GLU  90  20.595   7.818 -20.743
  670    H    VAL  91           H        VAL  91  18.645   6.504 -19.599
  671    HA   VAL  91           HA       VAL  91  17.362   6.749 -22.176
  672    HB   VAL  91           HB       VAL  91  17.801   4.206 -20.581
  673   HG11  VAL  91          HG11      VAL  91  17.735   3.061 -22.754
  674   HG12  VAL  91          HG12      VAL  91  16.209   3.892 -22.438
  675   HG13  VAL  91          HG13      VAL  91  17.373   4.603 -23.572
  676   HG21  VAL  91          HG21      VAL  91  19.840   3.909 -21.980
  677   HG22  VAL  91          HG22      VAL  91  19.604   5.536 -22.661
  678   HG23  VAL  91          HG23      VAL  91  19.970   5.321 -20.934
  679    H    ILE  92           H        ILE  92  16.224   5.919 -18.891
  680    HA   ILE  92           HA       ILE  92  13.515   5.189 -19.646
  681    HB   ILE  92           HB       ILE  92  14.441   6.395 -17.001
  682   HG12  ILE  92          HG12      ILE  92  14.460   3.452 -17.836
  683   HG13  ILE  92          HG13      ILE  92  15.890   4.457 -17.601
  684   HG21  ILE  92          HG21      ILE  92  12.186   4.412 -17.532
  685   HG22  ILE  92          HG22      ILE  92  12.522   5.303 -16.038
  686   HG23  ILE  92          HG23      ILE  92  11.942   6.178 -17.450
  687   HD11  ILE  92          HD11      ILE  92  15.154   4.845 -15.212
  688   HD12  ILE  92          HD12      ILE  92  13.966   3.541 -15.464
  689   HD13  ILE  92          HD13      ILE  92  15.699   3.215 -15.635
  690    H    ILE  93           H        ILE  93  14.888   8.353 -18.497
  691    HA   ILE  93           HA       ILE  93  12.564   9.923 -18.968
  692    HB   ILE  93           HB       ILE  93  15.543  10.405 -18.952
  693   HG12  ILE  93          HG12      ILE  93  15.583  10.708 -16.885
  694   HG13  ILE  93          HG13      ILE  93  14.300  11.939 -16.900
  695   HG21  ILE  93          HG21      ILE  93  14.703  12.198 -20.393
  696   HG22  ILE  93          HG22      ILE  93  13.425  12.582 -19.209
  697   HG23  ILE  93          HG23      ILE  93  15.140  12.879 -18.838
  698   HD11  ILE  93          HD11      ILE  93  12.662  10.029 -16.728
  699   HD12  ILE  93          HD12      ILE  93  14.085   8.970 -16.512
  700   HD13  ILE  93          HD13      ILE  93  13.739  10.272 -15.337
  701    H    SER  94           H        SER  94  15.219   9.057 -21.217
  702    HA   SER  94           HA       SER  94  14.220  10.611 -23.390
  703    HB2  SER  94           HB2      SER  94  16.519   9.672 -23.194
  704    HB3  SER  94           HB3      SER  94  15.855   8.054 -23.514
  705    HG   SER  94           HG       SER  94  16.690   9.122 -25.432
  706    H    SER  95           H        SER  95  13.582   7.251 -22.450
  707    HA   SER  95           HA       SER  95  11.827   6.566 -24.618
  708    HB2  SER  95           HB2      SER  95  12.186   5.530 -21.792
  709    HB3  SER  95           HB3      SER  95  11.018   4.829 -22.937
  710    HG   SER  95           HG       SER  95  13.842   5.118 -23.412
  711    H    ALA  96           H        ALA  96  11.179   7.982 -21.354
  712    HA   ALA  96           HA       ALA  96   8.355   8.129 -21.597
  713    HB1  ALA  96           HB1      ALA  96  10.255  10.016 -20.121
  714    HB2  ALA  96           HB2      ALA  96   8.553   9.680 -19.732
  715    HB3  ALA  96           HB3      ALA  96   9.774   8.417 -19.531
  716    H    LYS  97           H        LYS  97  10.896  10.559 -22.482
  717    HA   LYS  97           HA       LYS  97   9.128  12.505 -23.581
  718    HB2  LYS  97           HB2      LYS  97  12.064  11.845 -24.017
  719    HB3  LYS  97           HB3      LYS  97  11.281  13.228 -24.782
  720    HG2  LYS  97           HG2      LYS  97  10.761  14.250 -22.660
  721    HG3  LYS  97           HG3      LYS  97  11.307  12.830 -21.754
  722    HD2  LYS  97           HD2      LYS  97  13.584  13.115 -22.532
  723    HD3  LYS  97           HD3      LYS  97  13.103  14.440 -23.618
  724    HE2  LYS  97           HE2      LYS  97  12.344  15.759 -21.612
  725    HE3  LYS  97           HE3      LYS  97  12.967  14.486 -20.559
  726    HZ1  LYS  97           HZ1      LYS  97  14.606  16.098 -22.464
  727    HZ2  LYS  97           HZ2      LYS  97  14.600  16.284 -20.845
  728    HZ3  LYS  97           HZ3      LYS  97  15.206  14.914 -21.510
  729    H    GLU  98           H        GLU  98  10.785   9.786 -25.195
  730    HA   GLU  98           HA       GLU  98   9.757  10.340 -27.797
  731    HB2  GLU  98           HB2      GLU  98  10.801   7.808 -26.500
  732    HB3  GLU  98           HB3      GLU  98  10.224   7.821 -28.160
  733    HG2  GLU  98           HG2      GLU  98  12.455   9.640 -27.163
  734    HG3  GLU  98           HG3      GLU  98  12.708   8.076 -27.929
  735    H    MET  99           H        MET  99   8.365   8.475 -25.104
  736    HA   MET  99           HA       MET  99   6.090   7.587 -26.591
  737    HB2  MET  99           HB2      MET  99   6.655   7.736 -23.629
  738    HB3  MET  99           HB3      MET  99   5.159   7.087 -24.308
  739    HG2  MET  99           HG2      MET  99   7.908   6.093 -25.146
  740    HG3  MET  99           HG3      MET  99   7.028   5.378 -23.823
  741    HE1  MET  99           HE1      MET  99   4.089   4.959 -24.560
  742    HE2  MET  99           HE2      MET  99   4.235   3.371 -25.343
  743    HE3  MET  99           HE3      MET  99   5.240   3.750 -23.926
  744    H    VAL 100           H        VAL 100   6.549  10.463 -24.495
  745    HA   VAL 100           HA       VAL 100   3.980  11.545 -24.598
  746    HB   VAL 100           HB       VAL 100   6.595  13.051 -24.871
  747   HG11  VAL 100          HG11      VAL 100   4.866  14.550 -25.788
  748   HG12  VAL 100          HG12      VAL 100   3.801  14.198 -24.411
  749   HG13  VAL 100          HG13      VAL 100   5.314  15.082 -24.166
  750   HG21  VAL 100          HG21      VAL 100   6.272  13.554 -22.542
  751   HG22  VAL 100          HG22      VAL 100   4.655  12.821 -22.541
  752   HG23  VAL 100          HG23      VAL 100   6.091  11.807 -22.731
  753    H    GLY 101           H        GLY 101   2.589  12.210 -25.982
  754    HA2  GLY 101           HA2      GLY 101   1.759  13.221 -27.958
  755    HA3  GLY 101           HA3      GLY 101   3.271  12.843 -28.816
  756    H    GLN 102           H        GLN 102   2.904   9.964 -27.438
  757    HA   GLN 102           HA       GLN 102   1.353   8.861 -29.630
  758    HB2  GLN 102           HB2      GLN 102   2.903   7.442 -27.427
  759    HB3  GLN 102           HB3      GLN 102   2.152   6.696 -28.830
  760    HG2  GLN 102           HG2      GLN 102   3.634   8.099 -30.326
  761    HG3  GLN 102           HG3      GLN 102   4.456   8.705 -28.890
  762   HE21  GLN 102          HE22      GLN 102   6.507   7.730 -28.855
  763   HE22  GLN 102          HE21      GLN 102   6.737   6.009 -29.134
  764    H    LYS 103           H        LYS 103  -0.267   7.207 -29.236
  765    HA   LYS 103           HA       LYS 103  -2.036   7.908 -26.935
  766    HB2  LYS 103           HB2      LYS 103  -2.702   7.452 -29.866
  767    HB3  LYS 103           HB3      LYS 103  -3.926   7.556 -28.588
  768    HG2  LYS 103           HG2      LYS 103  -3.213   9.833 -28.020
  769    HG3  LYS 103           HG3      LYS 103  -1.925   9.768 -29.240
  770    HD2  LYS 103           HD2      LYS 103  -3.624   9.472 -31.024
  771    HD3  LYS 103           HD3      LYS 103  -4.918   9.575 -29.802
  772    HE2  LYS 103           HE2      LYS 103  -4.152  11.844 -29.167
  773    HE3  LYS 103           HE3      LYS 103  -2.811  11.734 -30.308
  774    HZ1  LYS 103           HZ1      LYS 103  -4.659  12.987 -31.247
  775    HZ2  LYS 103           HZ2      LYS 103  -4.441  11.627 -32.126
  776    HZ3  LYS 103           HZ3      LYS 103  -5.690  11.729 -31.072
  777    H    MET 104           H        MET 104  -3.559   6.382 -26.216
  778    HA   MET 104           HA       MET 104  -3.247   3.511 -26.921
  779    HB2  MET 104           HB2      MET 104  -2.816   4.604 -24.091
  780    HB3  MET 104           HB3      MET 104  -2.914   2.903 -24.543
  781    HG2  MET 104           HG2      MET 104  -0.879   3.194 -25.970
  782    HG3  MET 104           HG3      MET 104  -0.722   4.843 -25.338
  783    HE1  MET 104           HE1      MET 104   1.484   2.639 -25.307
  784    HE2  MET 104           HE2      MET 104   1.763   4.250 -24.597
  785    HE3  MET 104           HE3      MET 104   2.170   2.778 -23.677
  786    H    LYS 105           H        LYS 105  -4.874   2.152 -25.782
  787    HA   LYS 105           HA       LYS 105  -7.482   3.443 -25.491
  788    HB2  LYS 105           HB2      LYS 105  -6.500   0.620 -24.862
  789    HB3  LYS 105           HB3      LYS 105  -8.187   1.149 -24.743
  790    HG2  LYS 105           HG2      LYS 105  -8.139   1.795 -27.165
  791    HG3  LYS 105           HG3      LYS 105  -6.511   1.120 -27.295
  792    HD2  LYS 105           HD2      LYS 105  -9.018  -0.433 -26.516
  793    HD3  LYS 105           HD3      LYS 105  -8.275  -0.412 -28.119
  794    HE2  LYS 105           HE2      LYS 105  -6.166  -1.348 -27.141
  795    HE3  LYS 105           HE3      LYS 105  -6.955  -1.449 -25.565
  796    HZ1  LYS 105           HZ1      LYS 105  -7.835  -2.898 -28.012
  797    HZ2  LYS 105           HZ2      LYS 105  -7.070  -3.573 -26.739
  798    HZ3  LYS 105           HZ3      LYS 105  -8.583  -2.988 -26.558
  799    H    TYR 106           H        TYR 106  -8.620   3.872 -23.574
  800    HA   TYR 106           HA       TYR 106  -6.929   4.515 -21.272
  801    HB2  TYR 106           HB2      TYR 106  -8.672   6.023 -22.200
  802    HB3  TYR 106           HB3      TYR 106  -9.907   4.854 -21.737
  803    HD1  TYR 106           HD1      TYR 106  -6.919   6.466 -20.010
  804    HD2  TYR 106           HD2      TYR 106 -11.137   5.542 -19.886
  805    HE1  TYR 106           HE1      TYR 106  -7.075   7.469 -17.751
  806    HE2  TYR 106           HE2      TYR 106 -11.301   6.595 -17.645
  807    HH   TYR 106           HH       TYR 106 -10.180   7.696 -15.965
  808    H    SER 107           H        SER 107  -7.608   4.016 -19.007
  809    HA   SER 107           HA       SER 107  -7.860   1.281 -18.375
  810    HB2  SER 107           HB2      SER 107  -8.554   3.764 -16.772
  811    HB3  SER 107           HB3      SER 107  -8.312   2.138 -16.096
  812    HG   SER 107           HG       SER 107  -6.401   3.706 -16.206
  813    H    ILE 108           H        ILE 108  -9.506  -0.036 -17.764
  814    HA   ILE 108           HA       ILE 108 -12.270   0.688 -17.459
  815    HB   ILE 108           HB       ILE 108 -12.332   1.085 -19.779
  816   HG12  ILE 108          HG12      ILE 108 -13.577  -1.640 -19.269
  817   HG13  ILE 108          HG13      ILE 108 -14.204  -0.105 -18.662
  818   HG21  ILE 108          HG21      ILE 108 -10.301  -0.223 -20.506
  819   HG22  ILE 108          HG22      ILE 108 -11.300  -1.693 -20.447
  820   HG23  ILE 108          HG23      ILE 108 -11.701  -0.373 -21.553
  821   HD11  ILE 108          HD11      ILE 108 -15.438  -0.733 -20.638
  822   HD12  ILE 108          HD12      ILE 108 -14.457   0.697 -21.022
  823   HD13  ILE 108          HD13      ILE 108 -13.955  -0.914 -21.588
  824    H    VAL 109           H        VAL 109 -12.373  -0.531 -15.688
  825    HA   VAL 109           HA       VAL 109 -12.325  -2.211 -14.206
  826    HB   VAL 109           HB       VAL 109 -11.906  -4.232 -16.460
  827   HG11  VAL 109          HG11      VAL 109 -12.889  -4.539 -13.589
  828   HG12  VAL 109          HG12      VAL 109 -12.859  -5.819 -14.819
  829   HG13  VAL 109          HG13      VAL 109 -11.342  -5.120 -14.237
  830   HG21  VAL 109          HG21      VAL 109 -14.004  -2.960 -16.840
  831   HG22  VAL 109          HG22      VAL 109 -14.362  -4.600 -16.285
  832   HG23  VAL 109          HG23      VAL 109 -14.485  -3.236 -15.154
  833    H    SER 110           H        SER 110  -9.931  -3.071 -16.715
  834    HA   SER 110           HA       SER 110  -7.703  -3.334 -14.774
  835    HB2  SER 110           HB2      SER 110  -7.820  -3.564 -17.807
  836    HB3  SER 110           HB3      SER 110  -6.377  -3.846 -16.813
  837    HG   SER 110           HG       SER 110  -7.496  -5.820 -17.311
  838    H    ARG 111           H        ARG 111  -5.973  -1.878 -14.645
  839    HA   ARG 111           HA       ARG 111  -6.482   0.862 -15.688
  840    HB2  ARG 111           HB2      ARG 111  -4.808  -0.233 -13.403
  841    HB3  ARG 111           HB3      ARG 111  -4.563   1.382 -14.052
  842    HG2  ARG 111           HG2      ARG 111  -5.935   1.552 -12.131
  843    HG3  ARG 111           HG3      ARG 111  -6.881   2.008 -13.538
  844    HD2  ARG 111           HD2      ARG 111  -8.179  -0.022 -13.412
  845    HD3  ARG 111           HD3      ARG 111  -7.040  -0.750 -12.250
  846    HE   ARG 111           HE       ARG 111  -7.875   1.624 -11.050
  847   HH11  ARG 111          HH11      ARG 111  -9.661  -1.323 -11.996
  848   HH12  ARG 111          HH12      ARG 111 -10.752  -1.118 -10.659
  849   HH21  ARG 111          HH21      ARG 111  -9.155   1.760  -9.458
  850   HH22  ARG 111          HH22      ARG 111 -10.505   0.653  -9.213
  851    H    ASN 112           H        ASN 112  -5.427   1.518 -17.480
  852    HA   ASN 112           HA       ASN 112  -3.088  -0.047 -18.406
  853    HB2  ASN 112           HB2      ASN 112  -5.050   0.502 -19.893
  854    HB3  ASN 112           HB3      ASN 112  -4.528   2.190 -19.875
  855   HD21  ASN 112          HD22      ASN 112  -4.122   2.110 -22.216
  856   HD22  ASN 112          HD21      ASN 112  -2.687   1.275 -22.807
  857    H    CYS 113           H        CYS 113  -3.622   3.176 -16.991
  858    HA   CYS 113           HA       CYS 113  -1.249   4.406 -17.962
  859    HB2  CYS 113           HB2      CYS 113  -2.709   4.894 -15.318
  860    HB3  CYS 113           HB3      CYS 113  -1.570   6.008 -16.122
  861    HG   CYS 113           HG       CYS 113  -3.992   6.925 -16.534
  862    H    GLU 114           H        GLU 114  -1.588   2.279 -15.106
  863    HA   GLU 114           HA       GLU 114   1.116   2.425 -14.181
  864    HB2  GLU 114           HB2      GLU 114  -0.740   1.325 -12.945
  865    HB3  GLU 114           HB3      GLU 114  -0.797   0.056 -14.157
  866    HG2  GLU 114           HG2      GLU 114   1.613  -0.505 -13.583
  867    HG3  GLU 114           HG3      GLU 114   1.536   0.710 -12.308
  868    H    HIS 115           H        HIS 115  -0.362  -0.049 -16.365
  869    HA   HIS 115           HA       HIS 115   1.954  -1.327 -17.255
  870    HB2  HIS 115           HB2      HIS 115  -0.286  -2.172 -17.635
  871    HB3  HIS 115           HB3      HIS 115  -0.726  -0.756 -18.587
  872    HD1  HIS 115           HD1      HIS 115  -0.847  -1.312 -21.063
  873    HD2  HIS 115           HD2      HIS 115   2.019  -3.557 -18.949
  874    HE1  HIS 115           HE1      HIS 115   0.207  -2.912 -22.754
  875    H    PHE 116           H        PHE 116   0.648   1.779 -18.511
  876    HA   PHE 116           HA       PHE 116   2.557   2.055 -20.622
  877    HB2  PHE 116           HB2      PHE 116   0.767   3.543 -20.748
  878    HB3  PHE 116           HB3      PHE 116   0.839   3.970 -19.051
  879    HD1  PHE 116           HD2      PHE 116   3.139   4.097 -22.034
  880    HD2  PHE 116           HD1      PHE 116   1.687   6.073 -18.495
  881    HE1  PHE 116           HE2      PHE 116   4.716   5.958 -22.423
  882    HE2  PHE 116           HE1      PHE 116   3.276   7.947 -18.894
  883    HZ   PHE 116           HZ       PHE 116   4.807   7.876 -20.853
  884    H    VAL 117           H        VAL 117   2.691   3.295 -17.199
  885    HA   VAL 117           HA       VAL 117   5.305   4.415 -17.762
  886    HB   VAL 117           HB       VAL 117   5.528   4.961 -15.398
  887   HG11  VAL 117          HG11      VAL 117   2.830   5.750 -16.532
  888   HG12  VAL 117          HG12      VAL 117   3.789   6.623 -15.326
  889   HG13  VAL 117          HG13      VAL 117   4.397   6.473 -16.977
  890   HG21  VAL 117          HG21      VAL 117   4.221   2.989 -14.451
  891   HG22  VAL 117          HG22      VAL 117   3.850   4.576 -13.771
  892   HG23  VAL 117          HG23      VAL 117   2.745   3.837 -14.951
  893    H    THR 118           H        THR 118   4.362   1.258 -16.419
  894    HA   THR 118           HA       THR 118   6.930   0.621 -15.272
  895    HB   THR 118           HB       THR 118   6.157  -1.763 -15.527
  896    HG1  THR 118           HG1      THR 118   4.139  -2.107 -16.396
  897   HG21  THR 118          HG21      THR 118   5.550  -0.441 -13.501
  898   HG22  THR 118          HG22      THR 118   4.094   0.149 -14.323
  899   HG23  THR 118          HG23      THR 118   4.271  -1.580 -13.953
  900    H    GLN 119           H        GLN 119   5.600   0.041 -18.507
  901    HA   GLN 119           HA       GLN 119   7.749  -1.410 -19.613
  902    HB2  GLN 119           HB2      GLN 119   5.740   0.508 -20.847
  903    HB3  GLN 119           HB3      GLN 119   6.940  -0.351 -21.815
  904    HG2  GLN 119           HG2      GLN 119   6.091  -2.522 -21.104
  905    HG3  GLN 119           HG3      GLN 119   4.915  -1.758 -20.032
  906   HE21  GLN 119          HE22      GLN 119   3.152  -0.532 -20.999
  907   HE22  GLN 119          HE21      GLN 119   2.690  -0.818 -22.682
  908    H    LEU 120           H        LEU 120   7.560   2.064 -19.007
  909    HA   LEU 120           HA       LEU 120   9.672   2.923 -20.728
  910    HB2  LEU 120           HB2      LEU 120   8.880   4.076 -18.014
  911    HB3  LEU 120           HB3      LEU 120   9.784   4.908 -19.271
  912    HG   LEU 120           HG       LEU 120   6.887   3.986 -19.519
  913   HD11  LEU 120          HD11      LEU 120   6.327   6.353 -19.346
  914   HD12  LEU 120          HD12      LEU 120   7.222   5.826 -17.915
  915   HD13  LEU 120          HD13      LEU 120   8.044   6.775 -19.178
  916   HD21  LEU 120          HD21      LEU 120   6.876   5.422 -21.562
  917   HD22  LEU 120          HD22      LEU 120   8.640   5.601 -21.417
  918   HD23  LEU 120          HD23      LEU 120   7.915   4.007 -21.736
  919    H    ARG 121           H        ARG 121   9.836   1.414 -17.537
  920    HA   ARG 121           HA       ARG 121  12.821   1.529 -17.598
  921    HB2  ARG 121           HB2      ARG 121  11.830   2.082 -15.464
  922    HB3  ARG 121           HB3      ARG 121  10.899   0.573 -15.435
  923    HG2  ARG 121           HG2      ARG 121  12.971  -0.750 -15.339
  924    HG3  ARG 121           HG3      ARG 121  13.950   0.717 -15.510
  925    HD2  ARG 121           HD2      ARG 121  13.309   1.487 -13.326
  926    HD3  ARG 121           HD3      ARG 121  12.101   0.196 -13.155
  927    HE   ARG 121           HE       ARG 121  14.360  -1.254 -13.604
  928   HH11  ARG 121          HH11      ARG 121  13.753   1.278 -11.148
  929   HH12  ARG 121          HH12      ARG 121  14.895   0.506 -10.056
  930   HH21  ARG 121          HH21      ARG 121  15.798  -2.087 -12.054
  931   HH22  ARG 121          HH22      ARG 121  15.915  -1.255 -10.507
  932    H    TYR 122           H        TYR 122  10.128  -0.893 -17.419
  933    HA   TYR 122           HA       TYR 122  11.787  -3.183 -17.276
  934    HB2  TYR 122           HB2      TYR 122   9.497  -3.176 -16.532
  935    HB3  TYR 122           HB3      TYR 122   8.910  -2.770 -18.136
  936    HD1  TYR 122           HD2      TYR 122  10.980  -5.447 -16.453
  937    HD2  TYR 122           HD1      TYR 122   7.996  -4.493 -19.419
  938    HE1  TYR 122           HE2      TYR 122  10.745  -7.860 -16.986
  939    HE2  TYR 122           HE1      TYR 122   7.743  -6.909 -19.947
  940    HH   TYR 122           HH       TYR 122   9.661  -9.448 -18.270
  941    H    GLY 123           H        GLY 123  10.594  -1.504 -20.170
  942    HA2  GLY 123           HA2      GLY 123  11.298  -3.655 -22.019
  943    HA3  GLY 123           HA3      GLY 123  10.805  -1.995 -22.432
  944    H    LYS 124           H        LYS 124  13.309  -1.411 -20.387
  945    HA   LYS 124           HA       LYS 124  15.120  -0.856 -22.594
  946    HB2  LYS 124           HB2      LYS 124  15.458  -0.368 -19.604
  947    HB3  LYS 124           HB3      LYS 124  16.421   0.342 -20.889
  948    HG2  LYS 124           HG2      LYS 124  13.489   0.893 -20.274
  949    HG3  LYS 124           HG3      LYS 124  14.861   1.949 -20.004
  950    HD2  LYS 124           HD2      LYS 124  14.080   2.906 -21.891
  951    HD3  LYS 124           HD3      LYS 124  15.171   1.734 -22.647
  952    HE2  LYS 124           HE2      LYS 124  13.154   0.187 -22.930
  953    HE3  LYS 124           HE3      LYS 124  12.144   1.465 -22.242
  954    HZ1  LYS 124           HZ1      LYS 124  13.720   1.691 -24.767
  955    HZ2  LYS 124           HZ2      LYS 124  12.096   1.520 -24.671
  956    HZ3  LYS 124           HZ3      LYS 124  12.810   2.894 -24.125
  957    H    SER 125           H        SER 125  17.247  -1.585 -22.848
  958    HA   SER 125           HA       SER 125  17.836  -4.304 -22.396
  959    HB2  SER 125           HB2      SER 125  19.773  -2.027 -22.933
  960    HB3  SER 125           HB3      SER 125  20.069  -3.751 -23.227
  961    HG   SER 125           HG       SER 125  18.391  -3.731 -24.789
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1   6.041   7.814  17.965
    2    H2   MET   1           H2       MET   1   6.009   9.444  17.832
    3    H3   MET   1           H3       MET   1   4.749   8.557  17.294
    4    HA   MET   1           HA       MET   1   7.477   8.525  16.168
    5    HB2  MET   1           HB2      MET   1   6.352   6.319  16.017
    6    HB3  MET   1           HB3      MET   1   4.990   7.055  15.175
    7    HG2  MET   1           HG2      MET   1   6.502   5.893  13.656
    8    HG3  MET   1           HG3      MET   1   6.415   7.605  13.271
    9    HE1  MET   1           HE1      MET   1   8.569   5.660  12.033
   10    HE2  MET   1           HE2      MET   1   8.492   7.403  11.684
   11    HE3  MET   1           HE3      MET   1  10.036   6.657  12.148
   12    H    ALA   2           H        ALA   2   7.859   9.793  14.333
   13    HA   ALA   2           HA       ALA   2   6.148  12.109  13.965
   14    HB1  ALA   2           HB1      ALA   2   8.627  12.205  13.923
   15    HB2  ALA   2           HB2      ALA   2   8.648  11.164  12.481
   16    HB3  ALA   2           HB3      ALA   2   7.935  12.787  12.398
   17    H    SER   3           H        SER   3   5.408  12.890  11.850
   18    HA   SER   3           HA       SER   3   3.725  11.040  10.490
   19    HB2  SER   3           HB2      SER   3   4.621  13.821   9.645
   20    HB3  SER   3           HB3      SER   3   3.245  12.930   8.973
   21    HG   SER   3           HG       SER   3   2.603  14.429  10.634
   22    HA   PRO   4           HA       PRO   4   6.435   9.520   7.253
   23    HB2  PRO   4           HB2      PRO   4   4.671   8.723   5.339
   24    HB3  PRO   4           HB3      PRO   4   4.815   7.899   6.922
   25    HG2  PRO   4           HG2      PRO   4   2.804  10.028   6.116
   26    HG3  PRO   4           HG3      PRO   4   2.482   8.444   6.894
   27    HD2  PRO   4           HD2      PRO   4   2.687  10.748   8.334
   28    HD3  PRO   4           HD3      PRO   4   3.310   9.197   8.969
   29    H    HIS   5           H        HIS   5   7.196   9.984   5.088
   30    HA   HIS   5           HA       HIS   5   6.217  12.293   3.596
   31    HB2  HIS   5           HB2      HIS   5   7.377  13.397   5.472
   32    HB3  HIS   5           HB3      HIS   5   8.806  12.416   5.201
   33    HD1  HIS   5           HD1      HIS   5   6.862  15.288   3.461
   34    HD2  HIS   5           HD2      HIS   5  10.575  13.302   3.466
   35    HE1  HIS   5           HE1      HIS   5   8.393  16.624   1.926
   36    H    GLN   6           H        GLN   6   7.154  12.463   1.524
   37    HA   GLN   6           HA       GLN   6   9.391  10.716   0.726
   38    HB2  GLN   6           HB2      GLN   6   6.634  10.634  -0.606
   39    HB3  GLN   6           HB3      GLN   6   8.108   9.953  -1.291
   40    HG2  GLN   6           HG2      GLN   6   8.287   8.417   0.693
   41    HG3  GLN   6           HG3      GLN   6   6.718   9.013   1.256
   42   HE21  GLN   6          HE22      GLN   6   6.992   6.281   0.798
   43   HE22  GLN   6          HE21      GLN   6   6.124   5.861  -0.666
   44    H    GLU   7           H        GLU   7  10.413  11.446  -1.205
   45    HA   GLU   7           HA       GLU   7   9.302  13.840  -2.538
   46    HB2  GLU   7           HB2      GLU   7  10.976  14.651  -0.941
   47    HB3  GLU   7           HB3      GLU   7  12.193  13.582  -1.659
   48    HG2  GLU   7           HG2      GLU   7  11.962  14.790  -3.819
   49    HG3  GLU   7           HG3      GLU   7  10.738  15.843  -3.095
   50    HA   PRO   8           HA       PRO   8  10.347  11.006  -5.869
   51    HB2  PRO   8           HB2      PRO   8   9.344  12.337  -7.988
   52    HB3  PRO   8           HB3      PRO   8   8.289  11.692  -6.694
   53    HG2  PRO   8           HG2      PRO   8   9.334  14.526  -6.979
   54    HG3  PRO   8           HG3      PRO   8   7.642  13.997  -6.704
   55    HD2  PRO   8           HD2      PRO   8   9.317  14.759  -4.660
   56    HD3  PRO   8           HD3      PRO   8   8.084  13.479  -4.444
   57    H    LYS   9           H        LYS   9  11.969  10.669  -7.315
   58    HA   LYS   9           HA       LYS   9  13.685  12.940  -8.170
   59    HB2  LYS   9           HB2      LYS   9  14.476  10.232  -6.996
   60    HB3  LYS   9           HB3      LYS   9  15.627  11.236  -7.856
   61    HG2  LYS   9           HG2      LYS   9  14.149  12.039  -5.319
   62    HG3  LYS   9           HG3      LYS   9  15.822  11.494  -5.431
   63    HD2  LYS   9           HD2      LYS   9  16.358  13.468  -6.881
   64    HD3  LYS   9           HD3      LYS   9  14.696  14.052  -6.681
   65    HE2  LYS   9           HE2      LYS   9  15.014  14.026  -4.185
   66    HE3  LYS   9           HE3      LYS   9  16.699  13.548  -4.422
   67    HZ1  LYS   9           HZ1      LYS   9  16.463  15.938  -4.086
   68    HZ2  LYS   9           HZ2      LYS   9  17.068  15.663  -5.581
   69    HZ3  LYS   9           HZ3      LYS   9  15.493  16.095  -5.384
   70    HA   PRO  10           HA       PRO  10  13.616  11.870 -12.314
   71    HB2  PRO  10           HB2      PRO  10  16.589  11.284 -12.161
   72    HB3  PRO  10           HB3      PRO  10  15.689  12.161 -13.440
   73    HG2  PRO  10           HG2      PRO  10  16.948  13.573 -11.546
   74    HG3  PRO  10           HG3      PRO  10  15.260  14.010 -11.979
   75    HD2  PRO  10           HD2      PRO  10  16.264  12.402  -9.626
   76    HD3  PRO  10           HD3      PRO  10  15.015  13.681  -9.666
   77    H    GLY  11           H        GLY  11  12.768  10.118 -13.271
   78    HA2  GLY  11           HA2      GLY  11  12.786   7.980 -14.241
   79    HA3  GLY  11           HA3      GLY  11  14.071   7.461 -13.126
   80    H    ASP  12           H        ASP  12  12.002   8.833 -11.000
   81    HA   ASP  12           HA       ASP  12  11.073   6.331 -10.046
   82    HB2  ASP  12           HB2      ASP  12  10.422   9.195  -9.291
   83    HB3  ASP  12           HB3      ASP  12   9.674   7.828  -8.498
   84    H    LEU  13           H        LEU  13   9.181   5.378  -9.854
   85    HA   LEU  13           HA       LEU  13   6.952   6.004 -11.714
   86    HB2  LEU  13           HB2      LEU  13   7.526   3.780  -9.693
   87    HB3  LEU  13           HB3      LEU  13   6.006   3.919 -10.543
   88    HG   LEU  13           HG       LEU  13   7.260   2.200 -11.545
   89   HD11  LEU  13          HD11      LEU  13   7.400   4.581 -13.432
   90   HD12  LEU  13          HD12      LEU  13   7.262   2.861 -13.858
   91   HD13  LEU  13          HD13      LEU  13   5.926   3.676 -13.019
   92   HD21  LEU  13          HD21      LEU  13   9.539   4.113 -12.181
   93   HD22  LEU  13          HD22      LEU  13   9.559   2.869 -10.907
   94   HD23  LEU  13          HD23      LEU  13   9.415   2.393 -12.603
   95    H    ILE  14           H        ILE  14   5.191   7.144 -11.059
   96    HA   ILE  14           HA       ILE  14   4.835   7.732  -8.131
   97    HB   ILE  14           HB       ILE  14   3.952   9.447 -10.481
   98   HG12  ILE  14          HG12      ILE  14   6.389   9.486 -10.529
   99   HG13  ILE  14          HG13      ILE  14   5.721  11.026 -10.032
  100   HG21  ILE  14          HG21      ILE  14   2.637   9.774  -8.450
  101   HG22  ILE  14          HG22      ILE  14   4.100   9.968  -7.481
  102   HG23  ILE  14          HG23      ILE  14   3.669  11.190  -8.703
  103   HD11  ILE  14          HD11      ILE  14   7.740  10.381  -8.740
  104   HD12  ILE  14          HD12      ILE  14   6.328  10.625  -7.705
  105   HD13  ILE  14          HD13      ILE  14   6.882   8.975  -8.099
  106    H    GLU  15           H        GLU  15   2.965   7.094  -7.286
  107    HA   GLU  15           HA       GLU  15   0.702   6.190  -9.021
  108    HB2  GLU  15           HB2      GLU  15   1.654   4.550  -7.455
  109    HB3  GLU  15           HB3      GLU  15   1.398   5.645  -6.097
  110    HG2  GLU  15           HG2      GLU  15  -0.971   5.439  -6.225
  111    HG3  GLU  15           HG3      GLU  15  -0.918   4.750  -7.842
  112    H    ILE  16           H        ILE  16  -0.997   7.558  -9.138
  113    HA   ILE  16           HA       ILE  16  -1.141   9.851  -7.207
  114    HB   ILE  16           HB       ILE  16  -1.792   9.860 -10.184
  115   HG12  ILE  16          HG12      ILE  16   0.598  10.970  -8.647
  116   HG13  ILE  16          HG13      ILE  16   0.627   9.658  -9.835
  117   HG21  ILE  16          HG21      ILE  16  -2.087  12.300  -9.863
  118   HG22  ILE  16          HG22      ILE  16  -3.171  11.436  -8.780
  119   HG23  ILE  16          HG23      ILE  16  -1.668  12.135  -8.145
  120   HD11  ILE  16          HD11      ILE  16   1.506  11.585 -10.903
  121   HD12  ILE  16          HD12      ILE  16  -0.109  11.311 -11.592
  122   HD13  ILE  16          HD13      ILE  16   0.155  12.599 -10.383
  123    H    PHE  17           H        PHE  17  -2.887   9.906  -6.068
  124    HA   PHE  17           HA       PHE  17  -5.110   8.065  -6.561
  125    HB2  PHE  17           HB2      PHE  17  -4.442   9.920  -4.245
  126    HB3  PHE  17           HB3      PHE  17  -5.794   8.797  -4.274
  127    HD1  PHE  17           HD2      PHE  17  -2.070   9.030  -4.212
  128    HD2  PHE  17           HD1      PHE  17  -5.491   6.417  -3.951
  129    HE1  PHE  17           HE2      PHE  17  -0.601   7.172  -3.474
  130    HE2  PHE  17           HE1      PHE  17  -4.025   4.581  -3.158
  131    HZ   PHE  17           HZ       PHE  17  -1.579   4.952  -2.922
  132    H    ARG  18           H        ARG  18  -5.365   9.490  -8.614
  133    HA   ARG  18           HA       ARG  18  -6.889  11.926  -8.399
  134    HB2  ARG  18           HB2      ARG  18  -5.566  11.210 -10.404
  135    HB3  ARG  18           HB3      ARG  18  -6.759   9.951 -10.712
  136    HG2  ARG  18           HG2      ARG  18  -8.516  11.726 -10.982
  137    HG3  ARG  18           HG3      ARG  18  -7.271  12.952 -10.690
  138    HD2  ARG  18           HD2      ARG  18  -6.053  12.062 -12.730
  139    HD3  ARG  18           HD3      ARG  18  -7.441  10.982 -12.996
  140    HE   ARG  18           HE       ARG  18  -8.083  13.835 -12.693
  141   HH11  ARG  18          HH21      ARG  18  -7.387  11.332 -15.134
  142   HH12  ARG  18          HH22      ARG  18  -8.163  12.258 -16.388
  143   HH21  ARG  18          HH11      ARG  18  -9.049  14.934 -14.361
  144   HH22  ARG  18          HH12      ARG  18  -9.070  14.269 -15.962
  145    H    LEU  19           H        LEU  19  -9.100  12.275  -8.676
  146    HA   LEU  19           HA       LEU  19 -10.810  10.515  -7.229
  147    HB2  LEU  19           HB2      LEU  19 -11.536  12.849  -9.048
  148    HB3  LEU  19           HB3      LEU  19 -12.606  12.106  -7.869
  149    HG   LEU  19           HG       LEU  19 -10.051  13.642  -7.228
  150   HD11  LEU  19          HD11      LEU  19 -12.983  14.369  -6.815
  151   HD12  LEU  19          HD12      LEU  19 -11.581  15.351  -6.341
  152   HD13  LEU  19          HD13      LEU  19 -11.909  15.055  -8.054
  153   HD21  LEU  19          HD21      LEU  19 -12.122  12.413  -5.349
  154   HD22  LEU  19          HD22      LEU  19 -10.415  11.925  -5.511
  155   HD23  LEU  19          HD23      LEU  19 -10.816  13.516  -4.864
  156    H    GLY  20           H        GLY  20 -12.544   9.236  -7.845
  157    HA2  GLY  20           HA2      GLY  20 -13.855   7.855  -9.188
  158    HA3  GLY  20           HA3      GLY  20 -13.155   8.609 -10.643
  159    H    TYR  21           H        TYR  21 -10.580   8.150 -10.595
  160    HA   TYR  21           HA       TYR  21  -9.939   5.354 -10.002
  161    HB2  TYR  21           HB2      TYR  21  -9.724   6.519 -12.815
  162    HB3  TYR  21           HB3      TYR  21  -9.153   4.939 -12.312
  163    HD1  TYR  21           HD2      TYR  21 -10.712   3.079 -11.952
  164    HD2  TYR  21           HD1      TYR  21 -12.102   6.946 -13.240
  165    HE1  TYR  21           HE2      TYR  21 -12.889   2.070 -12.613
  166    HE2  TYR  21           HE1      TYR  21 -14.273   5.943 -13.919
  167    HH   TYR  21           HH       TYR  21 -14.992   2.447 -13.495
  168    H    GLU  22           H        GLU  22  -7.882   5.249  -9.249
  169    HA   GLU  22           HA       GLU  22  -6.037   7.381  -9.220
  170    HB2  GLU  22           HB2      GLU  22  -5.309   4.429  -9.121
  171    HB3  GLU  22           HB3      GLU  22  -4.371   5.784  -8.509
  172    HG2  GLU  22           HG2      GLU  22  -5.286   5.042  -6.547
  173    HG3  GLU  22           HG3      GLU  22  -6.521   6.220  -6.994
  174    H    HIS  23           H        HIS  23  -3.916   7.553 -10.251
  175    HA   HIS  23           HA       HIS  23  -3.696   6.488 -13.029
  176    HB2  HIS  23           HB2      HIS  23  -3.619   9.411 -12.155
  177    HB3  HIS  23           HB3      HIS  23  -2.859   8.858 -13.640
  178    HD1  HIS  23           HD1      HIS  23  -6.285   7.347 -12.863
  179    HD2  HIS  23           HD2      HIS  23  -4.487  10.412 -15.108
  180    HE1  HIS  23           HE1      HIS  23  -8.078   8.233 -14.445
  181    H    TRP  24           H        TRP  24  -1.395   6.956 -13.876
  182    HA   TRP  24           HA       TRP  24   0.635   6.940 -11.697
  183    HB2  TRP  24           HB2      TRP  24   0.242   4.766 -13.782
  184    HB3  TRP  24           HB3      TRP  24   1.720   4.991 -12.852
  185    HD1  TRP  24           HD1      TRP  24   1.861   4.144 -10.462
  186    HE1  TRP  24           HE1      TRP  24   0.308   2.807  -8.882
  187    HE3  TRP  24           HE3      TRP  24  -2.466   4.269 -13.221
  188    HZ2  TRP  24           HZ2      TRP  24  -2.391   1.901  -8.842
  189    HZ3  TRP  24           HZ3      TRP  24  -4.522   3.194 -12.356
  190    HH2  TRP  24           HH2      TRP  24  -4.501   2.009 -10.173
  191    H    ALA  25           H        ALA  25   2.638   7.644 -12.241
  192    HA   ALA  25           HA       ALA  25   3.067   8.758 -14.991
  193    HB1  ALA  25           HB1      ALA  25   1.892  10.440 -13.517
  194    HB2  ALA  25           HB2      ALA  25   3.306  10.414 -12.439
  195    HB3  ALA  25           HB3      ALA  25   3.476  10.940 -14.130
  196    H    LEU  26           H        LEU  26   5.216   9.378 -15.457
  197    HA   LEU  26           HA       LEU  26   7.380   8.111 -13.825
  198    HB2  LEU  26           HB2      LEU  26   6.852   7.501 -16.333
  199    HB3  LEU  26           HB3      LEU  26   7.510   9.062 -16.731
  200    HG   LEU  26           HG       LEU  26   9.144   7.391 -17.125
  201   HD11  LEU  26          HD11      LEU  26   9.994   9.527 -16.118
  202   HD12  LEU  26          HD12      LEU  26  10.048   8.707 -14.536
  203   HD13  LEU  26          HD13      LEU  26  11.057   8.133 -15.873
  204   HD21  LEU  26          HD21      LEU  26   8.233   5.638 -15.624
  205   HD22  LEU  26          HD22      LEU  26   9.985   5.819 -15.452
  206   HD23  LEU  26          HD23      LEU  26   8.907   6.492 -14.217
  207    H    TYR  27           H        TYR  27   8.451   9.593 -12.557
  208    HA   TYR  27           HA       TYR  27   8.167  12.482 -13.090
  209    HB2  TYR  27           HB2      TYR  27   7.943  11.535 -10.834
  210    HB3  TYR  27           HB3      TYR  27   9.603  10.967 -10.886
  211    HD1  TYR  27           HD2      TYR  27  11.466  12.571 -10.721
  212    HD2  TYR  27           HD1      TYR  27   7.385  13.880 -10.487
  213    HE1  TYR  27           HE2      TYR  27  12.218  14.692  -9.648
  214    HE2  TYR  27           HE1      TYR  27   8.125  16.049  -9.513
  215    HH   TYR  27           HH       TYR  27  11.570  16.724  -8.755
  216    H    ILE  28           H        ILE  28   9.621  13.816 -13.984
  217    HA   ILE  28           HA       ILE  28  12.181  12.542 -14.948
  218    HB   ILE  28           HB       ILE  28  12.009  13.837 -16.933
  219   HG12  ILE  28          HG12      ILE  28   9.369  14.999 -15.954
  220   HG13  ILE  28          HG13      ILE  28  10.905  15.880 -15.950
  221   HG21  ILE  28          HG21      ILE  28   9.247  12.606 -16.517
  222   HG22  ILE  28          HG22      ILE  28  10.233  12.670 -17.989
  223   HG23  ILE  28          HG23      ILE  28  10.730  11.640 -16.652
  224   HD11  ILE  28          HD11      ILE  28  11.060  15.502 -18.434
  225   HD12  ILE  28          HD12      ILE  28   9.413  14.830 -18.380
  226   HD13  ILE  28          HD13      ILE  28   9.698  16.520 -17.914
  227    H    GLY  29           H        GLY  29  11.407  14.663 -12.610
  228    HA2  GLY  29           HA2      GLY  29  13.049  15.924 -11.375
  229    HA3  GLY  29           HA3      GLY  29  13.988  16.170 -12.853
  230    H    ASP  30           H        ASP  30  13.525  18.275 -11.286
  231    HA   ASP  30           HA       ASP  30  12.848  20.417 -11.211
  232    HB2  ASP  30           HB2      ASP  30  13.763  20.157 -13.553
  233    HB3  ASP  30           HB3      ASP  30  12.102  20.071 -14.132
  234    H    GLY  31           H        GLY  31  10.748  18.326 -10.685
  235    HA2  GLY  31           HA2      GLY  31   8.609  18.468  -9.768
  236    HA3  GLY  31           HA3      GLY  31   8.387  20.079 -10.490
  237    H    TYR  32           H        TYR  32   9.438  18.109 -12.992
  238    HA   TYR  32           HA       TYR  32   6.673  17.946 -14.004
  239    HB2  TYR  32           HB2      TYR  32   9.402  17.856 -15.293
  240    HB3  TYR  32           HB3      TYR  32   7.990  17.298 -16.165
  241    HD1  TYR  32           HD1      TYR  32   9.608  20.279 -14.683
  242    HD2  TYR  32           HD2      TYR  32   6.245  18.787 -16.930
  243    HE1  TYR  32           HE1      TYR  32   9.033  22.600 -15.363
  244    HE2  TYR  32           HE2      TYR  32   5.670  21.105 -17.619
  245    HH   TYR  32           HH       TYR  32   6.255  23.339 -17.526
  246    H    VAL  33           H        VAL  33   5.728  16.257 -15.034
  247    HA   VAL  33           HA       VAL  33   6.893  13.522 -14.686
  248    HB   VAL  33           HB       VAL  33   4.470  12.759 -14.386
  249   HG11  VAL  33          HG11      VAL  33   6.050  12.468 -12.621
  250   HG12  VAL  33          HG12      VAL  33   5.891  14.171 -12.135
  251   HG13  VAL  33          HG13      VAL  33   4.539  13.034 -11.921
  252   HG21  VAL  33          HG21      VAL  33   2.872  14.207 -13.306
  253   HG22  VAL  33          HG22      VAL  33   4.007  15.565 -13.335
  254   HG23  VAL  33          HG23      VAL  33   3.342  14.933 -14.855
  255    H    ILE  34           H        ILE  34   6.236  12.014 -16.143
  256    HA   ILE  34           HA       ILE  34   4.681  12.933 -18.548
  257    HB   ILE  34           HB       ILE  34   7.098  11.103 -18.269
  258   HG12  ILE  34          HG12      ILE  34   6.369  13.486 -20.033
  259   HG13  ILE  34          HG13      ILE  34   7.395  13.536 -18.611
  260   HG21  ILE  34          HG21      ILE  34   5.054  11.200 -20.557
  261   HG22  ILE  34          HG22      ILE  34   6.651  10.449 -20.699
  262   HG23  ILE  34          HG23      ILE  34   5.480   9.788 -19.568
  263   HD11  ILE  34          HD11      ILE  34   8.054  12.164 -21.238
  264   HD12  ILE  34          HD12      ILE  34   8.794  13.614 -20.553
  265   HD13  ILE  34          HD13      ILE  34   9.042  12.051 -19.771
  266    H    HIS  35           H        HIS  35   2.856  11.777 -19.030
  267    HA   HIS  35           HA       HIS  35   2.159   9.364 -17.434
  268    HB2  HIS  35           HB2      HIS  35   0.138  10.657 -16.555
  269    HB3  HIS  35           HB3      HIS  35   1.688  11.128 -15.879
  270    HD1  HIS  35           HD1      HIS  35  -1.169  12.634 -17.867
  271    HD2  HIS  35           HD2      HIS  35   2.787  13.496 -16.770
  272    HE1  HIS  35           HE1      HIS  35  -0.797  15.102 -18.378
  273    H    LEU  36           H        LEU  36   0.278   8.280 -18.197
  274    HA   LEU  36           HA       LEU  36  -0.650   9.023 -20.918
  275    HB2  LEU  36           HB2      LEU  36   0.030   6.686 -20.410
  276    HB3  LEU  36           HB3      LEU  36  -1.172   6.610 -19.129
  277    HG   LEU  36           HG       LEU  36  -2.948   6.954 -20.934
  278   HD11  LEU  36          HD11      LEU  36  -2.278   6.408 -23.272
  279   HD12  LEU  36          HD12      LEU  36  -1.482   7.884 -22.713
  280   HD13  LEU  36          HD13      LEU  36  -0.579   6.357 -22.773
  281   HD21  LEU  36          HD21      LEU  36  -2.845   4.602 -21.678
  282   HD22  LEU  36          HD22      LEU  36  -1.151   4.504 -21.146
  283   HD23  LEU  36          HD23      LEU  36  -2.451   4.750 -19.961
  284    H    ALA  37           H        ALA  37  -2.622   9.974 -21.263
  285    HA   ALA  37           HA       ALA  37  -4.294  10.615 -18.873
  286    HB1  ALA  37           HB1      ALA  37  -3.115  12.513 -19.895
  287    HB2  ALA  37           HB2      ALA  37  -3.818  12.130 -21.480
  288    HB3  ALA  37           HB3      ALA  37  -4.867  12.664 -20.149
  289    HA   PRO  38           HA       PRO  38  -7.295   8.132 -21.028
  290    HB2  PRO  38           HB2      PRO  38  -9.471   8.364 -19.405
  291    HB3  PRO  38           HB3      PRO  38  -7.959   7.569 -18.859
  292    HG2  PRO  38           HG2      PRO  38  -8.788  10.450 -18.398
  293    HG3  PRO  38           HG3      PRO  38  -8.280   9.237 -17.177
  294    HD2  PRO  38           HD2      PRO  38  -6.508  11.012 -18.250
  295    HD3  PRO  38           HD3      PRO  38  -6.023   9.323 -17.909
  296    HA   PRO  39           HA       PRO  39  -9.747  10.875 -23.583
  297    HB2  PRO  39           HB2      PRO  39 -11.568   9.198 -24.698
  298    HB3  PRO  39           HB3      PRO  39  -9.817   9.043 -25.011
  299    HG2  PRO  39           HG2      PRO  39 -11.486   7.529 -22.975
  300    HG3  PRO  39           HG3      PRO  39 -10.361   6.854 -24.196
  301    HD2  PRO  39           HD2      PRO  39  -9.601   7.298 -21.618
  302    HD3  PRO  39           HD3      PRO  39  -8.473   7.541 -22.987
  303    H    SER  40           H        SER  40 -12.008  11.627 -24.046
  304    HA   SER  40           HA       SER  40 -13.638  12.126 -21.727
  305    HB2  SER  40           HB2      SER  40 -14.298  12.421 -24.683
  306    HB3  SER  40           HB3      SER  40 -15.190  13.141 -23.337
  307    HG   SER  40           HG       SER  40 -13.695  14.637 -24.283
  308    H    GLU  41           H        GLU  41 -15.988  11.589 -21.571
  309    HA   GLU  41           HA       GLU  41 -16.353   8.810 -21.373
  310    HB2  GLU  41           HB2      GLU  41 -17.466  10.547 -20.002
  311    HB3  GLU  41           HB3      GLU  41 -18.471  10.994 -21.388
  312    HG2  GLU  41           HG2      GLU  41 -19.494   8.747 -21.386
  313    HG3  GLU  41           HG3      GLU  41 -18.419   8.236 -20.080
  314    H    TYR  42           H        TYR  42 -17.491  11.004 -23.934
  315    HA   TYR  42           HA       TYR  42 -17.779   8.791 -25.797
  316    HB2  TYR  42           HB2      TYR  42 -19.951   8.805 -24.503
  317    HB3  TYR  42           HB3      TYR  42 -20.263  10.410 -25.133
  318    HD1  TYR  42           HD2      TYR  42 -19.613   6.857 -26.132
  319    HD2  TYR  42           HD1      TYR  42 -21.301  10.657 -27.282
  320    HE1  TYR  42           HE2      TYR  42 -20.640   5.792 -28.131
  321    HE2  TYR  42           HE1      TYR  42 -22.334   9.596 -29.276
  322    HH   TYR  42           HH       TYR  42 -21.944   6.096 -30.010
  323    HA   PRO  43           HA       PRO  43 -16.646  12.341 -28.339
  324    HB2  PRO  43           HB2      PRO  43 -16.252  11.168 -30.736
  325    HB3  PRO  43           HB3      PRO  43 -15.196  10.821 -29.336
  326    HG2  PRO  43           HG2      PRO  43 -17.557   9.196 -30.325
  327    HG3  PRO  43           HG3      PRO  43 -15.911   8.617 -29.919
  328    HD2  PRO  43           HD2      PRO  43 -18.017   8.503 -28.158
  329    HD3  PRO  43           HD3      PRO  43 -16.337   8.762 -27.612
  330    H    GLY  44           H        GLY  44 -17.516  13.680 -30.075
  331    HA2  GLY  44           HA2      GLY  44 -19.151  14.524 -31.482
  332    HA3  GLY  44           HA3      GLY  44 -19.974  12.945 -31.451
  333    H    ALA  45           H        ALA  45 -19.422  14.365 -28.342
  334    HA   ALA  45           HA       ALA  45 -22.231  14.661 -27.793
  335    HB1  ALA  45           HB1      ALA  45 -21.423  15.483 -25.611
  336    HB2  ALA  45           HB2      ALA  45 -20.525  14.040 -26.109
  337    HB3  ALA  45           HB3      ALA  45 -19.777  15.652 -26.261
  338    H    GLY  46           H        GLY  46 -19.899  16.916 -29.083
  339    HA2  GLY  46           HA2      GLY  46 -21.596  19.324 -28.644
  340    HA3  GLY  46           HA3      GLY  46 -19.979  19.259 -29.370
  341    H    SER  47           H        SER  47 -20.928  20.706 -30.963
  342    HA   SER  47           HA       SER  47 -23.052  20.015 -32.707
  343    HB2  SER  47           HB2      SER  47 -20.645  21.783 -33.296
  344    HB3  SER  47           HB3      SER  47 -22.219  21.819 -34.116
  345    HG   SER  47           HG       SER  47 -22.043  23.465 -32.483
  346    H    SER  48           H        SER  48 -19.642  19.078 -32.894
  347    HA   SER  48           HA       SER  48 -19.765  18.014 -35.614
  348    HB2  SER  48           HB2      SER  48 -17.706  17.575 -33.419
  349    HB3  SER  48           HB3      SER  48 -17.529  17.170 -35.136
  350    HG   SER  48           HG       SER  48 -16.553  19.214 -34.619
  351    H    SER  49           H        SER  49 -21.930  16.951 -34.620
  352    HA   SER  49           HA       SER  49 -21.931  14.782 -32.897
  353    HB2  SER  49           HB2      SER  49 -24.106  14.202 -33.916
  354    HB3  SER  49           HB3      SER  49 -23.934  15.935 -33.593
  355    HG   SER  49           HG       SER  49 -24.804  15.509 -35.717
  356    H    VAL  50           H        VAL  50 -21.280  14.632 -36.348
  357    HA   VAL  50           HA       VAL  50 -21.376  11.864 -36.780
  358    HB   VAL  50           HB       VAL  50 -19.764  12.153 -38.636
  359   HG11  VAL  50          HG11      VAL  50 -21.148  13.645 -39.979
  360   HG12  VAL  50          HG12      VAL  50 -22.168  12.644 -38.934
  361   HG13  VAL  50          HG13      VAL  50 -21.879  14.346 -38.521
  362   HG21  VAL  50          HG21      VAL  50 -19.505  15.049 -37.708
  363   HG22  VAL  50          HG22      VAL  50 -18.223  13.825 -37.664
  364   HG23  VAL  50          HG23      VAL  50 -18.875  14.371 -39.216
  365    H    PHE  51           H        PHE  51 -18.919  13.550 -34.914
  366    HA   PHE  51           HA       PHE  51 -16.892  11.508 -34.994
  367    HB2  PHE  51           HB2      PHE  51 -17.562  13.570 -32.873
  368    HB3  PHE  51           HB3      PHE  51 -16.117  12.580 -32.886
  369    HD1  PHE  51           HD2      PHE  51 -16.160  13.162 -36.256
  370    HD2  PHE  51           HD1      PHE  51 -15.811  15.369 -32.558
  371    HE1  PHE  51           HE2      PHE  51 -14.902  14.929 -37.425
  372    HE2  PHE  51           HE1      PHE  51 -14.530  17.127 -33.741
  373    HZ   PHE  51           HZ       PHE  51 -14.077  16.916 -36.178
  374    H    SER  52           H        SER  52 -20.036  11.445 -33.516
  375    HA   SER  52           HA       SER  52 -19.665   9.583 -31.410
  376    HB2  SER  52           HB2      SER  52 -21.938   9.606 -33.440
  377    HB3  SER  52           HB3      SER  52 -21.960   8.895 -31.829
  378    HG   SER  52           HG       SER  52 -21.984  11.615 -32.587
  379    H    VAL  53           H        VAL  53 -19.369   9.038 -34.869
  380    HA   VAL  53           HA       VAL  53 -19.615   6.157 -34.859
  381    HB   VAL  53           HB       VAL  53 -18.342   8.092 -36.828
  382   HG11  VAL  53          HG11      VAL  53 -17.362   5.934 -37.328
  383   HG12  VAL  53          HG12      VAL  53 -18.949   5.131 -37.212
  384   HG13  VAL  53          HG13      VAL  53 -18.598   6.265 -38.536
  385   HG21  VAL  53          HG21      VAL  53 -20.423   7.740 -38.130
  386   HG22  VAL  53          HG22      VAL  53 -21.047   6.675 -36.850
  387   HG23  VAL  53          HG23      VAL  53 -20.783   8.405 -36.537
  388    H    LEU  54           H        LEU  54 -16.990   8.294 -33.965
  389    HA   LEU  54           HA       LEU  54 -14.823   6.513 -34.760
  390    HB2  LEU  54           HB2      LEU  54 -14.788   9.059 -33.086
  391    HB3  LEU  54           HB3      LEU  54 -13.387   8.277 -33.807
  392    HG   LEU  54           HG       LEU  54 -15.677   9.550 -35.372
  393   HD11  LEU  54          HD11      LEU  54 -12.821  10.507 -34.904
  394   HD12  LEU  54          HD12      LEU  54 -14.047  11.303 -35.916
  395   HD13  LEU  54          HD13      LEU  54 -14.287  11.198 -34.167
  396   HD21  LEU  54          HD21      LEU  54 -14.177   9.290 -37.335
  397   HD22  LEU  54          HD22      LEU  54 -13.045   8.351 -36.338
  398   HD23  LEU  54          HD23      LEU  54 -14.679   7.730 -36.675
  399    H    SER  55           H        SER  55 -13.150   5.719 -33.369
  400    HA   SER  55           HA       SER  55 -14.081   4.638 -30.786
  401    HB2  SER  55           HB2      SER  55 -11.937   3.383 -30.891
  402    HB3  SER  55           HB3      SER  55 -12.994   3.106 -32.282
  403    HG   SER  55           HG       SER  55 -10.814   3.458 -32.959
  404    H    ASN  56           H        ASN  56 -12.416   4.629 -28.958
  405    HA   ASN  56           HA       ASN  56 -11.492   7.438 -28.506
  406    HB2  ASN  56           HB2      ASN  56 -12.406   5.295 -26.546
  407    HB3  ASN  56           HB3      ASN  56 -11.815   6.894 -26.109
  408   HD21  ASN  56          HD22      ASN  56 -14.632   5.106 -27.040
  409   HD22  ASN  56          HD21      ASN  56 -15.685   6.491 -27.235
  410    H    SER  57           H        SER  57  -9.487   7.863 -27.581
  411    HA   SER  57           HA       SER  57  -7.622   5.620 -26.982
  412    HB2  SER  57           HB2      SER  57  -7.124   7.809 -29.031
  413    HB3  SER  57           HB3      SER  57  -5.854   6.782 -28.338
  414    HG   SER  57           HG       SER  57  -6.741   6.013 -30.396
  415    H    ALA  58           H        ALA  58  -6.078   6.065 -25.492
  416    HA   ALA  58           HA       ALA  58  -6.151   8.602 -23.933
  417    HB1  ALA  58           HB1      ALA  58  -6.127   6.423 -22.761
  418    HB2  ALA  58           HB2      ALA  58  -4.630   5.965 -23.607
  419    HB3  ALA  58           HB3      ALA  58  -4.633   7.316 -22.452
  420    H    GLU  59           H        GLU  59  -4.190   9.845 -23.611
  421    HA   GLU  59           HA       GLU  59  -2.201   9.638 -25.855
  422    HB2  GLU  59           HB2      GLU  59  -3.876  11.560 -26.026
  423    HB3  GLU  59           HB3      GLU  59  -3.134  12.228 -24.562
  424    HG2  GLU  59           HG2      GLU  59  -0.934  12.293 -25.724
  425    HG3  GLU  59           HG3      GLU  59  -1.663  11.600 -27.170
  426    H    VAL  60           H        VAL  60  -0.032   9.814 -25.284
  427    HA   VAL  60           HA       VAL  60   0.636   9.995 -22.400
  428    HB   VAL  60           HB       VAL  60   2.499   9.839 -24.768
  429   HG11  VAL  60          HG11      VAL  60   3.556  10.742 -22.671
  430   HG12  VAL  60          HG12      VAL  60   2.970   9.342 -21.786
  431   HG13  VAL  60          HG13      VAL  60   4.193   9.154 -23.074
  432   HG21  VAL  60          HG21      VAL  60   1.126   7.778 -24.653
  433   HG22  VAL  60          HG22      VAL  60   2.789   7.444 -24.178
  434   HG23  VAL  60          HG23      VAL  60   1.533   7.601 -22.931
  435    H    LYS  61           H        LYS  61   1.090  11.839 -21.415
  436    HA   LYS  61           HA       LYS  61   1.780  14.324 -22.950
  437    HB2  LYS  61           HB2      LYS  61  -0.316  13.843 -20.792
  438    HB3  LYS  61           HB3      LYS  61   0.231  15.460 -21.250
  439    HG2  LYS  61           HG2      LYS  61  -0.522  15.077 -23.574
  440    HG3  LYS  61           HG3      LYS  61  -1.101  13.458 -23.143
  441    HD2  LYS  61           HD2      LYS  61  -2.660  14.380 -21.524
  442    HD3  LYS  61           HD3      LYS  61  -2.078  16.023 -21.806
  443    HE2  LYS  61           HE2      LYS  61  -3.573  14.246 -23.798
  444    HE3  LYS  61           HE3      LYS  61  -4.252  15.582 -22.863
  445    HZ1  LYS  61           HZ1      LYS  61  -2.256  15.771 -25.051
  446    HZ2  LYS  61           HZ2      LYS  61  -3.748  16.415 -25.014
  447    HZ3  LYS  61           HZ3      LYS  61  -2.590  17.050 -24.047
  448    H    ARG  62           H        ARG  62   2.737  16.023 -21.660
  449    HA   ARG  62           HA       ARG  62   4.224  15.147 -19.210
  450    HB2  ARG  62           HB2      ARG  62   5.677  15.432 -21.206
  451    HB3  ARG  62           HB3      ARG  62   5.083  17.078 -21.408
  452    HG2  ARG  62           HG2      ARG  62   6.068  17.685 -19.187
  453    HG3  ARG  62           HG3      ARG  62   6.636  16.023 -18.997
  454    HD2  ARG  62           HD2      ARG  62   8.490  17.416 -19.758
  455    HD3  ARG  62           HD3      ARG  62   8.056  16.289 -21.030
  456    HE   ARG  62           HE       ARG  62   7.327  18.026 -22.383
  457   HH11  ARG  62          HH11      ARG  62   8.063  19.456 -19.202
  458   HH12  ARG  62          HH12      ARG  62   7.977  21.066 -19.841
  459   HH21  ARG  62          HH21      ARG  62   7.196  20.121 -23.091
  460   HH22  ARG  62          HH22      ARG  62   7.481  21.437 -21.998
  461    H    GLU  63           H        GLU  63   3.654  16.293 -17.408
  462    HA   GLU  63           HA       GLU  63   3.082  19.195 -17.555
  463    HB2  GLU  63           HB2      GLU  63   1.119  17.199 -16.347
  464    HB3  GLU  63           HB3      GLU  63   1.052  18.946 -16.126
  465    HG2  GLU  63           HG2      GLU  63   0.902  19.163 -18.660
  466    HG3  GLU  63           HG3      GLU  63   0.612  17.419 -18.707
  467    H    ARG  64           H        ARG  64   2.765  20.031 -15.164
  468    HA   ARG  64           HA       ARG  64   5.015  19.040 -13.562
  469    HB2  ARG  64           HB2      ARG  64   3.008  21.266 -13.060
  470    HB3  ARG  64           HB3      ARG  64   4.344  20.844 -11.975
  471    HG2  ARG  64           HG2      ARG  64   5.962  21.248 -13.845
  472    HG3  ARG  64           HG3      ARG  64   4.618  21.798 -14.859
  473    HD2  ARG  64           HD2      ARG  64   4.125  23.592 -13.195
  474    HD3  ARG  64           HD3      ARG  64   5.510  23.041 -12.224
  475    HE   ARG  64           HE       ARG  64   6.306  23.577 -14.941
  476   HH11  ARG  64          HH11      ARG  64   5.535  25.335 -11.964
  477   HH12  ARG  64          HH12      ARG  64   6.498  26.705 -12.423
  478   HH21  ARG  64          HH21      ARG  64   7.514  25.362 -15.472
  479   HH22  ARG  64          HH22      ARG  64   7.622  26.717 -14.384
  480    H    LEU  65           H        LEU  65   4.930  17.802 -11.727
  481    HA   LEU  65           HA       LEU  65   2.662  16.154 -11.214
  482    HB2  LEU  65           HB2      LEU  65   4.963  15.538 -10.615
  483    HB3  LEU  65           HB3      LEU  65   5.037  16.829  -9.423
  484    HG   LEU  65           HG       LEU  65   3.401  15.733  -8.006
  485   HD11  LEU  65          HD11      LEU  65   2.508  13.471  -8.502
  486   HD12  LEU  65          HD12      LEU  65   1.899  14.660  -9.647
  487   HD13  LEU  65          HD13      LEU  65   3.196  13.553 -10.133
  488   HD21  LEU  65          HD21      LEU  65   4.688  13.725  -7.413
  489   HD22  LEU  65          HD22      LEU  65   5.489  13.735  -8.992
  490   HD23  LEU  65          HD23      LEU  65   5.775  15.060  -7.836
  491    H    GLU  66           H        GLU  66   3.683  19.144  -9.482
  492    HA   GLU  66           HA       GLU  66   1.642  19.249  -7.556
  493    HB2  GLU  66           HB2      GLU  66   2.459  21.758  -9.054
  494    HB3  GLU  66           HB3      GLU  66   2.019  21.564  -7.356
  495    HG2  GLU  66           HG2      GLU  66   4.155  20.220  -7.079
  496    HG3  GLU  66           HG3      GLU  66   4.547  20.683  -8.753
  497    H    ASP  67           H        ASP  67   1.536  20.496 -10.912
  498    HA   ASP  67           HA       ASP  67  -1.135  21.404 -10.763
  499    HB2  ASP  67           HB2      ASP  67   0.537  22.140 -12.448
  500    HB3  ASP  67           HB3      ASP  67   0.422  20.561 -13.239
  501    H    VAL  68           H        VAL  68   0.225  18.346 -11.991
  502    HA   VAL  68           HA       VAL  68  -2.189  17.093 -12.780
  503    HB   VAL  68           HB       VAL  68   0.449  15.915 -11.863
  504   HG11  VAL  68          HG11      VAL  68  -1.223  14.156 -11.506
  505   HG12  VAL  68          HG12      VAL  68  -1.886  14.429 -13.139
  506   HG13  VAL  68          HG13      VAL  68  -0.245  13.785 -12.931
  507   HG21  VAL  68          HG21      VAL  68   0.810  15.518 -14.256
  508   HG22  VAL  68          HG22      VAL  68  -0.805  16.149 -14.636
  509   HG23  VAL  68          HG23      VAL  68   0.445  17.233 -14.010
  510    H    VAL  69           H        VAL  69  -0.534  17.067  -9.594
  511    HA   VAL  69           HA       VAL  69  -2.483  15.256  -8.483
  512    HB   VAL  69           HB       VAL  69  -0.007  15.282  -7.989
  513   HG11  VAL  69          HG11      VAL  69  -0.729  17.320  -5.843
  514   HG12  VAL  69          HG12      VAL  69   0.848  16.569  -6.152
  515   HG13  VAL  69          HG13      VAL  69   0.160  17.708  -7.321
  516   HG21  VAL  69          HG21      VAL  69  -1.800  15.138  -5.542
  517   HG22  VAL  69          HG22      VAL  69  -1.732  13.900  -6.810
  518   HG23  VAL  69          HG23      VAL  69  -0.292  14.287  -5.862
  519    H    GLY  70           H        GLY  70  -2.666  18.589  -8.938
  520    HA2  GLY  70           HA2      GLY  70  -3.898  19.568  -6.593
  521    HA3  GLY  70           HA3      GLY  70  -4.287  20.113  -8.231
  522    H    GLY  71           H        GLY  71  -5.708  19.074  -5.530
  523    HA2  GLY  71           HA2      GLY  71  -7.836  18.294  -5.040
  524    HA3  GLY  71           HA3      GLY  71  -8.133  18.004  -6.767
  525    H    CYS  72           H        CYS  72  -5.270  16.505  -5.823
  526    HA   CYS  72           HA       CYS  72  -6.517  13.803  -5.425
  527    HB2  CYS  72           HB2      CYS  72  -4.079  14.460  -7.142
  528    HB3  CYS  72           HB3      CYS  72  -4.939  12.920  -7.044
  529    HG   CYS  72           HG       CYS  72  -6.039  15.838  -8.229
  530    H    CYS  73           H        CYS  73  -4.060  12.446  -5.241
  531    HA   CYS  73           HA       CYS  73  -2.211  13.745  -3.397
  532    HB2  CYS  73           HB2      CYS  73  -4.079  12.783  -1.938
  533    HB3  CYS  73           HB3      CYS  73  -3.595  11.168  -2.489
  534    HG   CYS  73           HG       CYS  73  -2.652  11.654  -0.053
  535    H    TYR  74           H        TYR  74  -0.319  12.003  -2.950
  536    HA   TYR  74           HA       TYR  74  -0.051  10.064  -5.116
  537    HB2  TYR  74           HB2      TYR  74   1.747  11.010  -6.286
  538    HB3  TYR  74           HB3      TYR  74   0.566  12.281  -6.179
  539    HD1  TYR  74           HD1      TYR  74   0.924  13.978  -4.087
  540    HD2  TYR  74           HD2      TYR  74   3.992  11.412  -5.703
  541    HE1  TYR  74           HE1      TYR  74   2.661  15.447  -3.117
  542    HE2  TYR  74           HE2      TYR  74   5.734  12.874  -4.718
  543    HH   TYR  74           HH       TYR  74   6.174  14.783  -3.461
  544    H    ARG  75           H        ARG  75   1.816   8.767  -5.096
  545    HA   ARG  75           HA       ARG  75   3.705   8.925  -2.810
  546    HB2  ARG  75           HB2      ARG  75   2.049   6.451  -3.509
  547    HB3  ARG  75           HB3      ARG  75   3.474   6.439  -2.466
  548    HG2  ARG  75           HG2      ARG  75   2.357   7.960  -0.864
  549    HG3  ARG  75           HG3      ARG  75   0.914   7.989  -1.894
  550    HD2  ARG  75           HD2      ARG  75   0.714   5.514  -1.648
  551    HD3  ARG  75           HD3      ARG  75   2.074   5.544  -0.506
  552    HE   ARG  75           HE       ARG  75   0.261   7.429   0.457
  553   HH11  ARG  75          HH11      ARG  75   0.131   3.928  -0.086
  554   HH12  ARG  75          HH12      ARG  75  -1.095   3.702   1.126
  555   HH21  ARG  75          HH21      ARG  75  -1.307   7.054   2.009
  556   HH22  ARG  75          HH22      ARG  75  -1.878   5.443   2.308
  557    H    VAL  76           H        VAL  76   5.691   7.903  -3.238
  558    HA   VAL  76           HA       VAL  76   6.344   7.334  -6.094
  559    HB   VAL  76           HB       VAL  76   8.136   7.345  -3.631
  560   HG11  VAL  76          HG11      VAL  76   9.066   5.829  -5.321
  561   HG12  VAL  76          HG12      VAL  76   8.816   7.042  -6.594
  562   HG13  VAL  76          HG13      VAL  76  10.004   7.320  -5.305
  563   HG21  VAL  76          HG21      VAL  76   7.894   9.373  -5.900
  564   HG22  VAL  76          HG22      VAL  76   7.343   9.622  -4.229
  565   HG23  VAL  76          HG23      VAL  76   9.067   9.425  -4.570
  566    H    ASN  77           H        ASN  77   6.603   5.270  -6.861
  567    HA   ASN  77           HA       ASN  77   6.475   2.951  -5.009
  568    HB2  ASN  77           HB2      ASN  77   4.142   3.925  -5.518
  569    HB3  ASN  77           HB3      ASN  77   4.349   3.315  -7.152
  570   HD21  ASN  77          HD22      ASN  77   4.909   0.824  -7.271
  571   HD22  ASN  77          HD21      ASN  77   4.141  -0.172  -6.056
  572    H    ASN  78           H        ASN  78   8.711   2.983  -6.018
  573    HA   ASN  78           HA       ASN  78   9.019   2.129  -8.780
  574    HB2  ASN  78           HB2      ASN  78  10.923   2.222  -6.410
  575    HB3  ASN  78           HB3      ASN  78  11.407   1.746  -8.039
  576   HD21  ASN  78          HD22      ASN  78  12.577   3.976  -6.672
  577   HD22  ASN  78          HD21      ASN  78  12.145   5.404  -7.611
  578    H    SER  79           H        SER  79   7.500   0.337  -8.849
  579    HA   SER  79           HA       SER  79   7.605  -1.894  -7.152
  580    HB2  SER  79           HB2      SER  79   6.643  -1.905 -10.035
  581    HB3  SER  79           HB3      SER  79   6.069  -2.904  -8.688
  582    HG   SER  79           HG       SER  79   4.642  -1.139  -9.106
  583    H    LEU  80           H        LEU  80   9.233  -1.424 -10.291
  584    HA   LEU  80           HA       LEU  80  10.021  -4.198 -10.484
  585    HB2  LEU  80           HB2      LEU  80  11.028  -1.900 -12.185
  586    HB3  LEU  80           HB3      LEU  80  11.019  -3.623 -12.562
  587    HG   LEU  80           HG       LEU  80   8.620  -1.754 -12.448
  588   HD11  LEU  80          HD11      LEU  80   9.868  -3.402 -14.692
  589   HD12  LEU  80          HD12      LEU  80   8.445  -2.350 -14.838
  590   HD13  LEU  80          HD13      LEU  80  10.024  -1.645 -14.475
  591   HD21  LEU  80          HD21      LEU  80   8.652  -4.783 -12.826
  592   HD22  LEU  80          HD22      LEU  80   7.874  -3.876 -11.505
  593   HD23  LEU  80          HD23      LEU  80   7.259  -3.727 -13.154
  594    H    ASP  81           H        ASP  81  11.451  -1.700  -8.717
  595    HA   ASP  81           HA       ASP  81  14.229  -2.043  -9.119
  596    HB2  ASP  81           HB2      ASP  81  13.056  -0.255  -7.789
  597    HB3  ASP  81           HB3      ASP  81  12.750  -1.456  -6.526
  598    H    HIS  82           H        HIS  82  11.951  -3.973  -7.263
  599    HA   HIS  82           HA       HIS  82  14.047  -5.706  -6.089
  600    HB2  HIS  82           HB2      HIS  82  11.909  -4.742  -4.971
  601    HB3  HIS  82           HB3      HIS  82  11.029  -5.988  -5.855
  602    HD1  HIS  82           HD1      HIS  82  12.804  -8.513  -5.320
  603    HD2  HIS  82           HD2      HIS  82  12.007  -5.486  -2.518
  604    HE1  HIS  82           HE1      HIS  82  13.140  -9.571  -3.010
  605    H    GLU  83           H        GLU  83  12.566  -5.583  -9.104
  606    HA   GLU  83           HA       GLU  83  12.177  -8.520  -9.422
  607    HB2  GLU  83           HB2      GLU  83  11.394  -6.191 -11.228
  608    HB3  GLU  83           HB3      GLU  83  11.120  -7.895 -11.573
  609    HG2  GLU  83           HG2      GLU  83   9.930  -6.346  -9.239
  610    HG3  GLU  83           HG3      GLU  83   9.098  -6.785 -10.726
  611    H    TYR  84           H        TYR  84  13.826  -5.776 -10.998
  612    HA   TYR  84           HA       TYR  84  15.746  -7.685 -12.302
  613    HB2  TYR  84           HB2      TYR  84  14.834  -5.050 -13.477
  614    HB3  TYR  84           HB3      TYR  84  15.683  -6.361 -14.279
  615    HD1  TYR  84           HD2      TYR  84  14.406  -8.674 -14.442
  616    HD2  TYR  84           HD1      TYR  84  12.510  -4.897 -13.623
  617    HE1  TYR  84           HE2      TYR  84  12.200  -9.652 -15.049
  618    HE2  TYR  84           HE1      TYR  84  10.300  -5.870 -14.190
  619    HH   TYR  84           HH       TYR  84   9.150  -7.761 -14.897
  620    H    GLN  85           H        GLN  85  17.776  -6.611 -13.129
  621    HA   GLN  85           HA       GLN  85  19.158  -5.109 -11.099
  622    HB2  GLN  85           HB2      GLN  85  19.840  -5.823 -13.982
  623    HB3  GLN  85           HB3      GLN  85  20.934  -4.911 -12.954
  624    HG2  GLN  85           HG2      GLN  85  19.861  -7.681 -12.287
  625    HG3  GLN  85           HG3      GLN  85  21.434  -7.364 -13.015
  626   HE21  GLN  85          HE22      GLN  85  20.157  -8.236 -10.112
  627   HE22  GLN  85          HE21      GLN  85  21.287  -7.410  -9.050
  628    HA   PRO  86           HA       PRO  86  17.715  -1.138 -11.968
  629    HB2  PRO  86           HB2      PRO  86  19.785   0.582 -11.352
  630    HB3  PRO  86           HB3      PRO  86  18.873  -0.374 -10.146
  631    HG2  PRO  86           HG2      PRO  86  21.516  -1.064 -11.455
  632    HG3  PRO  86           HG3      PRO  86  21.103  -1.109  -9.712
  633    HD2  PRO  86           HD2      PRO  86  21.034  -3.353 -11.226
  634    HD3  PRO  86           HD3      PRO  86  19.770  -3.054  -9.992
  635    H    ARG  87           H        ARG  87  17.433   0.451 -13.452
  636    HA   ARG  87           HA       ARG  87  18.878   0.145 -16.010
  637    HB2  ARG  87           HB2      ARG  87  16.133   1.211 -15.220
  638    HB3  ARG  87           HB3      ARG  87  16.831   1.523 -16.809
  639    HG2  ARG  87           HG2      ARG  87  15.575  -0.340 -17.198
  640    HG3  ARG  87           HG3      ARG  87  17.200  -0.989 -17.015
  641    HD2  ARG  87           HD2      ARG  87  16.240  -1.320 -14.470
  642    HD3  ARG  87           HD3      ARG  87  14.736  -1.418 -15.368
  643    HE   ARG  87           HE       ARG  87  16.819  -3.357 -15.172
  644   HH11  ARG  87          HH11      ARG  87  14.409  -2.282 -17.587
  645   HH12  ARG  87          HH12      ARG  87  14.516  -3.785 -18.458
  646   HH21  ARG  87          HH21      ARG  87  16.914  -5.216 -16.392
  647   HH22  ARG  87          HH22      ARG  87  15.885  -5.435 -17.770
  648    HA   PRO  88           HA       PRO  88  20.739   4.199 -15.731
  649    HB2  PRO  88           HB2      PRO  88  21.193   4.818 -18.343
  650    HB3  PRO  88           HB3      PRO  88  22.076   3.532 -17.472
  651    HG2  PRO  88           HG2      PRO  88  19.685   3.231 -19.297
  652    HG3  PRO  88           HG3      PRO  88  21.203   2.286 -19.311
  653    HD2  PRO  88           HD2      PRO  88  18.907   1.422 -18.103
  654    HD3  PRO  88           HD3      PRO  88  20.526   1.040 -17.437
  655    H    VAL  89           H        VAL  89  19.529   5.822 -15.009
  656    HA   VAL  89           HA       VAL  89  16.908   6.336 -15.582
  657    HB   VAL  89           HB       VAL  89  18.069   7.140 -13.605
  658   HG11  VAL  89          HG11      VAL  89  19.369   9.194 -13.520
  659   HG12  VAL  89          HG12      VAL  89  20.158   8.049 -14.611
  660   HG13  VAL  89          HG13      VAL  89  19.229   9.412 -15.272
  661   HG21  VAL  89          HG21      VAL  89  16.738   9.484 -15.008
  662   HG22  VAL  89          HG22      VAL  89  15.874   8.126 -14.272
  663   HG23  VAL  89          HG23      VAL  89  16.877   9.201 -13.268
  664    H    GLU  90           H        GLU  90  19.604   7.906 -17.301
  665    HA   GLU  90           HA       GLU  90  18.056   9.823 -18.688
  666    HB2  GLU  90           HB2      GLU  90  19.897   9.981 -20.248
  667    HB3  GLU  90           HB3      GLU  90  20.484   9.877 -18.587
  668    HG2  GLU  90           HG2      GLU  90  21.016   7.440 -18.993
  669    HG3  GLU  90           HG3      GLU  90  20.531   7.664 -20.680
  670    H    VAL  91           H        VAL  91  18.575   6.395 -19.435
  671    HA   VAL  91           HA       VAL  91  17.276   6.535 -22.018
  672    HB   VAL  91           HB       VAL  91  17.760   4.073 -20.313
  673   HG11  VAL  91          HG11      VAL  91  17.615   2.826 -22.446
  674   HG12  VAL  91          HG12      VAL  91  16.088   3.620 -22.060
  675   HG13  VAL  91          HG13      VAL  91  17.163   4.327 -23.288
  676   HG21  VAL  91          HG21      VAL  91  19.731   3.709 -21.793
  677   HG22  VAL  91          HG22      VAL  91  19.448   5.290 -22.554
  678   HG23  VAL  91          HG23      VAL  91  19.902   5.181 -20.840
  679    H    ILE  92           H        ILE  92  16.169   5.763 -18.698
  680    HA   ILE  92           HA       ILE  92  13.462   5.014 -19.397
  681    HB   ILE  92           HB       ILE  92  14.360   6.431 -16.837
  682   HG12  ILE  92          HG12      ILE  92  14.407   3.432 -17.385
  683   HG13  ILE  92          HG13      ILE  92  15.830   4.464 -17.261
  684   HG21  ILE  92          HG21      ILE  92  12.086   4.446 -17.335
  685   HG22  ILE  92          HG22      ILE  92  12.420   5.329 -15.831
  686   HG23  ILE  92          HG23      ILE  92  11.877   6.204 -17.250
  687   HD11  ILE  92          HD11      ILE  92  15.640   3.450 -15.153
  688   HD12  ILE  92          HD12      ILE  92  15.085   5.113 -14.925
  689   HD13  ILE  92          HD13      ILE  92  13.905   3.782 -15.031
  690    H    ILE  93           H        ILE  93  14.836   8.210 -18.466
  691    HA   ILE  93           HA       ILE  93  12.413   9.650 -18.997
  692    HB   ILE  93           HB       ILE  93  15.316  10.490 -18.667
  693   HG12  ILE  93          HG12      ILE  93  12.840  10.801 -16.881
  694   HG13  ILE  93          HG13      ILE  93  14.009   9.489 -16.708
  695   HG21  ILE  93          HG21      ILE  93  14.233  12.232 -20.040
  696   HG22  ILE  93          HG22      ILE  93  12.854  12.300 -18.916
  697   HG23  ILE  93          HG23      ILE  93  14.470  12.843 -18.412
  698   HD11  ILE  93          HD11      ILE  93  15.792  11.159 -16.247
  699   HD12  ILE  93          HD12      ILE  93  14.548  12.432 -16.206
  700   HD13  ILE  93          HD13      ILE  93  14.481  11.106 -15.035
  701    H    SER  94           H        SER  94  15.240   9.015 -21.118
  702    HA   SER  94           HA       SER  94  14.242  10.506 -23.326
  703    HB2  SER  94           HB2      SER  94  15.903   7.953 -23.404
  704    HB3  SER  94           HB3      SER  94  15.649   9.078 -24.750
  705    HG   SER  94           HG       SER  94  17.031   9.520 -22.303
  706    H    SER  95           H        SER  95  13.582   7.136 -22.380
  707    HA   SER  95           HA       SER  95  11.843   6.489 -24.562
  708    HB2  SER  95           HB2      SER  95  12.902   4.874 -22.978
  709    HB3  SER  95           HB3      SER  95  11.769   5.405 -21.721
  710    HG   SER  95           HG       SER  95  11.132   3.476 -23.042
  711    H    ALA  96           H        ALA  96  11.155   7.890 -21.300
  712    HA   ALA  96           HA       ALA  96   8.360   8.132 -21.574
  713    HB1  ALA  96           HB1      ALA  96  10.258  10.016 -20.097
  714    HB2  ALA  96           HB2      ALA  96   8.569   9.642 -19.696
  715    HB3  ALA  96           HB3      ALA  96   9.816   8.406 -19.502
  716    H    LYS  97           H        LYS  97  10.943  10.516 -22.397
  717    HA   LYS  97           HA       LYS  97   9.235  12.524 -23.480
  718    HB2  LYS  97           HB2      LYS  97  12.162  11.801 -23.881
  719    HB3  LYS  97           HB3      LYS  97  11.424  13.204 -24.654
  720    HG2  LYS  97           HG2      LYS  97  10.871  14.223 -22.534
  721    HG3  LYS  97           HG3      LYS  97  11.375  12.782 -21.630
  722    HD2  LYS  97           HD2      LYS  97  13.669  13.039 -22.343
  723    HD3  LYS  97           HD3      LYS  97  13.242  14.375 -23.435
  724    HE2  LYS  97           HE2      LYS  97  12.468  15.720 -21.463
  725    HE3  LYS  97           HE3      LYS  97  13.009  14.430 -20.382
  726    HZ1  LYS  97           HZ1      LYS  97  14.770  15.986 -22.220
  727    HZ2  LYS  97           HZ2      LYS  97  14.697  16.176 -20.607
  728    HZ3  LYS  97           HZ3      LYS  97  15.293  14.787 -21.235
  729    H    GLU  98           H        GLU  98  10.854   9.793 -25.119
  730    HA   GLU  98           HA       GLU  98   9.897  10.430 -27.729
  731    HB2  GLU  98           HB2      GLU  98  10.849   7.852 -26.452
  732    HB3  GLU  98           HB3      GLU  98  10.291   7.894 -28.121
  733    HG2  GLU  98           HG2      GLU  98  12.549   9.649 -27.069
  734    HG3  GLU  98           HG3      GLU  98  12.779   8.088 -27.850
  735    H    MET  99           H        MET  99   8.414   8.549 -25.089
  736    HA   MET  99           HA       MET  99   6.144   7.751 -26.636
  737    HB2  MET  99           HB2      MET  99   6.690   7.789 -23.663
  738    HB3  MET  99           HB3      MET  99   5.186   7.191 -24.372
  739    HG2  MET  99           HG2      MET  99   7.918   6.185 -25.263
  740    HG3  MET  99           HG3      MET  99   7.050   5.445 -23.943
  741    HE1  MET  99           HE1      MET  99   4.251   3.460 -25.453
  742    HE2  MET  99           HE2      MET  99   5.275   3.832 -24.052
  743    HE3  MET  99           HE3      MET  99   4.093   5.033 -24.645
  744    H    VAL 100           H        VAL 100   6.607  10.553 -24.425
  745    HA   VAL 100           HA       VAL 100   4.047  11.675 -24.532
  746    HB   VAL 100           HB       VAL 100   6.670  13.183 -24.758
  747   HG11  VAL 100          HG11      VAL 100   3.875  14.283 -24.164
  748   HG12  VAL 100          HG12      VAL 100   5.392  15.169 -23.945
  749   HG13  VAL 100          HG13      VAL 100   4.890  14.693 -25.565
  750   HG21  VAL 100          HG21      VAL 100   4.784  12.845 -22.391
  751   HG22  VAL 100          HG22      VAL 100   6.211  11.842 -22.651
  752   HG23  VAL 100          HG23      VAL 100   6.396  13.583 -22.401
  753    H    GLY 101           H        GLY 101   2.696  12.398 -25.930
  754    HA2  GLY 101           HA2      GLY 101   1.920  13.491 -27.884
  755    HA3  GLY 101           HA3      GLY 101   3.472  13.186 -28.700
  756    H    GLN 102           H        GLN 102   3.078  10.221 -27.499
  757    HA   GLN 102           HA       GLN 102   1.638   9.236 -29.818
  758    HB2  GLN 102           HB2      GLN 102   3.067   7.703 -27.612
  759    HB3  GLN 102           HB3      GLN 102   2.367   7.016 -29.070
  760    HG2  GLN 102           HG2      GLN 102   3.923   8.483 -30.447
  761    HG3  GLN 102           HG3      GLN 102   4.709   8.971 -28.945
  762   HE21  GLN 102          HE22      GLN 102   6.717   7.918 -28.884
  763   HE22  GLN 102          HE21      GLN 102   6.900   6.202 -29.246
  764    H    LYS 103           H        LYS 103   0.057   7.512 -29.568
  765    HA   LYS 103           HA       LYS 103  -1.816   7.942 -27.282
  766    HB2  LYS 103           HB2      LYS 103  -2.400   7.766 -30.267
  767    HB3  LYS 103           HB3      LYS 103  -3.648   7.644 -29.018
  768    HG2  LYS 103           HG2      LYS 103  -3.121   9.882 -28.184
  769    HG3  LYS 103           HG3      LYS 103  -1.817  10.051 -29.379
  770    HD2  LYS 103           HD2      LYS 103  -3.468   9.843 -31.218
  771    HD3  LYS 103           HD3      LYS 103  -4.777   9.676 -30.024
  772    HE2  LYS 103           HE2      LYS 103  -4.240  11.908 -29.097
  773    HE3  LYS 103           HE3      LYS 103  -2.893  12.079 -30.224
  774    HZ1  LYS 103           HZ1      LYS 103  -4.493  12.035 -32.063
  775    HZ2  LYS 103           HZ2      LYS 103  -5.752  11.860 -31.026
  776    HZ3  LYS 103           HZ3      LYS 103  -4.865  13.235 -31.020
  777    H    MET 104           H        MET 104  -3.308   6.247 -26.845
  778    HA   MET 104           HA       MET 104  -2.599   3.495 -27.821
  779    HB2  MET 104           HB2      MET 104  -3.082   4.323 -24.913
  780    HB3  MET 104           HB3      MET 104  -2.880   2.668 -25.503
  781    HG2  MET 104           HG2      MET 104  -0.597   3.290 -26.337
  782    HG3  MET 104           HG3      MET 104  -0.790   4.886 -25.597
  783    HE1  MET 104           HE1      MET 104   1.610   3.049 -25.183
  784    HE2  MET 104           HE2      MET 104   1.485   4.568 -24.261
  785    HE3  MET 104           HE3      MET 104   1.875   3.041 -23.431
  786    H    LYS 105           H        LYS 105  -4.377   2.234 -28.272
  787    HA   LYS 105           HA       LYS 105  -7.027   3.342 -28.352
  788    HB2  LYS 105           HB2      LYS 105  -6.057   0.450 -28.453
  789    HB3  LYS 105           HB3      LYS 105  -7.712   0.973 -28.800
  790    HG2  LYS 105           HG2      LYS 105  -6.900   2.370 -30.675
  791    HG3  LYS 105           HG3      LYS 105  -5.235   1.846 -30.353
  792    HD2  LYS 105           HD2      LYS 105  -5.930  -0.526 -30.713
  793    HD3  LYS 105           HD3      LYS 105  -7.547   0.016 -31.157
  794    HE2  LYS 105           HE2      LYS 105  -4.970   0.834 -32.590
  795    HE3  LYS 105           HE3      LYS 105  -5.997  -0.504 -33.089
  796    HZ1  LYS 105           HZ1      LYS 105  -6.516   1.485 -34.353
  797    HZ2  LYS 105           HZ2      LYS 105  -7.813   1.083 -33.452
  798    HZ3  LYS 105           HZ3      LYS 105  -6.862   2.343 -33.011
  799    H    TYR 106           H        TYR 106  -8.730   3.320 -26.965
  800    HA   TYR 106           HA       TYR 106  -8.022   3.231 -24.209
  801    HB2  TYR 106           HB2      TYR 106  -9.613   4.813 -25.178
  802    HB3  TYR 106           HB3      TYR 106 -10.728   3.498 -25.550
  803    HD1  TYR 106           HD1      TYR 106  -8.787   4.545 -22.451
  804    HD2  TYR 106           HD2      TYR 106 -12.627   3.630 -24.208
  805    HE1  TYR 106           HE1      TYR 106  -9.888   4.957 -20.265
  806    HE2  TYR 106           HE2      TYR 106 -13.727   4.081 -22.032
  807    HH   TYR 106           HH       TYR 106 -13.444   4.769 -19.845
  808    H    SER 107           H        SER 107  -8.002   1.646 -22.789
  809    HA   SER 107           HA       SER 107  -8.917  -1.026 -23.281
  810    HB2  SER 107           HB2      SER 107  -7.976   0.223 -20.674
  811    HB3  SER 107           HB3      SER 107  -7.908  -1.488 -21.124
  812    HG   SER 107           HG       SER 107  -6.313  -0.990 -22.665
  813    H    ILE 108           H        ILE 108 -11.186   0.632 -23.418
  814    HA   ILE 108           HA       ILE 108 -13.280   1.118 -22.774
  815    HB   ILE 108           HB       ILE 108 -14.677  -0.706 -22.162
  816   HG12  ILE 108          HG12      ILE 108 -12.263  -2.492 -21.695
  817   HG13  ILE 108          HG13      ILE 108 -13.178  -1.728 -20.385
  818   HG21  ILE 108          HG21      ILE 108 -13.740  -0.477 -24.465
  819   HG22  ILE 108          HG22      ILE 108 -12.500  -1.683 -24.054
  820   HG23  ILE 108          HG23      ILE 108 -14.217  -2.125 -24.063
  821   HD11  ILE 108          HD11      ILE 108 -13.953  -3.996 -20.683
  822   HD12  ILE 108          HD12      ILE 108 -15.242  -2.882 -21.178
  823   HD13  ILE 108          HD13      ILE 108 -14.262  -3.730 -22.406
  824    H    VAL 109           H        VAL 109 -11.290   0.629 -20.114
  825    HA   VAL 109           HA       VAL 109 -12.809   2.590 -18.546
  826    HB   VAL 109           HB       VAL 109 -13.699   0.395 -17.812
  827   HG11  VAL 109          HG11      VAL 109 -12.362  -1.193 -16.547
  828   HG12  VAL 109          HG12      VAL 109 -11.721  -1.041 -18.186
  829   HG13  VAL 109          HG13      VAL 109 -10.892  -0.245 -16.826
  830   HG21  VAL 109          HG21      VAL 109 -13.584   2.327 -16.256
  831   HG22  VAL 109          HG22      VAL 109 -13.541   0.752 -15.447
  832   HG23  VAL 109          HG23      VAL 109 -12.051   1.689 -15.615
  833    H    SER 110           H        SER 110 -11.474   3.737 -17.084
  834    HA   SER 110           HA       SER 110  -8.739   4.085 -17.646
  835    HB2  SER 110           HB2      SER 110 -10.323   4.738 -15.130
  836    HB3  SER 110           HB3      SER 110  -8.755   5.444 -15.562
  837    HG   SER 110           HG       SER 110 -10.585   6.769 -16.204
  838    H    ARG 111           H        ARG 111  -6.985   3.987 -16.031
  839    HA   ARG 111           HA       ARG 111  -5.921   3.224 -14.109
  840    HB2  ARG 111           HB2      ARG 111  -7.271   0.518 -14.472
  841    HB3  ARG 111           HB3      ARG 111  -5.935   0.821 -13.391
  842    HG2  ARG 111           HG2      ARG 111  -7.156   2.444 -12.098
  843    HG3  ARG 111           HG3      ARG 111  -8.553   2.363 -13.165
  844    HD2  ARG 111           HD2      ARG 111  -8.887  -0.023 -12.605
  845    HD3  ARG 111           HD3      ARG 111  -7.478   0.004 -11.543
  846    HE   ARG 111           HE       ARG 111 -10.147   1.002 -10.974
  847   HH11  ARG 111          HH11      ARG 111  -6.779   1.206  -9.907
  848   HH12  ARG 111          HH12      ARG 111  -7.208   2.141  -8.481
  849   HH21  ARG 111          HH21      ARG 111 -10.570   2.300  -9.120
  850   HH22  ARG 111          HH22      ARG 111  -9.201   2.912  -8.207
  851    H    ASN 112           H        ASN 112  -5.990   1.917 -17.291
  852    HA   ASN 112           HA       ASN 112  -3.808   0.206 -17.324
  853    HB2  ASN 112           HB2      ASN 112  -3.835   0.459 -19.722
  854    HB3  ASN 112           HB3      ASN 112  -5.473   0.415 -19.099
  855   HD21  ASN 112          HD22      ASN 112  -5.466   1.323 -21.543
  856   HD22  ASN 112          HD21      ASN 112  -5.475   3.086 -21.635
  857    H    CYS 113           H        CYS 113  -3.392   3.542 -16.723
  858    HA   CYS 113           HA       CYS 113  -1.017   4.161 -18.075
  859    HB2  CYS 113           HB2      CYS 113  -1.871   5.163 -15.316
  860    HB3  CYS 113           HB3      CYS 113  -0.839   6.000 -16.492
  861    HG   CYS 113           HG       CYS 113  -2.996   7.311 -16.752
  862    H    GLU 114           H        GLU 114  -1.350   2.178 -15.146
  863    HA   GLU 114           HA       GLU 114   1.377   2.434 -14.254
  864    HB2  GLU 114           HB2      GLU 114   0.900   0.094 -13.218
  865    HB3  GLU 114           HB3      GLU 114   0.226   1.563 -12.570
  866    HG2  GLU 114           HG2      GLU 114  -1.421  -0.153 -12.474
  867    HG3  GLU 114           HG3      GLU 114  -1.951   1.088 -13.588
  868    H    HIS 115           H        HIS 115  -0.165  -0.004 -16.416
  869    HA   HIS 115           HA       HIS 115   2.194  -1.418 -17.073
  870    HB2  HIS 115           HB2      HIS 115  -0.189  -2.016 -17.628
  871    HB3  HIS 115           HB3      HIS 115  -0.159  -0.807 -18.911
  872    HD1  HIS 115           HD1      HIS 115   0.944  -4.348 -18.163
  873    HD2  HIS 115           HD2      HIS 115   1.621  -1.327 -21.012
  874    HE1  HIS 115           HE1      HIS 115   2.089  -5.471 -20.138
  875    H    PHE 116           H        PHE 116   0.835   1.526 -18.681
  876    HA   PHE 116           HA       PHE 116   2.896   1.867 -20.580
  877    HB2  PHE 116           HB2      PHE 116   1.053   3.257 -20.888
  878    HB3  PHE 116           HB3      PHE 116   0.999   3.763 -19.211
  879    HD1  PHE 116           HD2      PHE 116   3.426   3.910 -22.094
  880    HD2  PHE 116           HD1      PHE 116   1.741   5.918 -18.675
  881    HE1  PHE 116           HE2      PHE 116   4.855   5.872 -22.537
  882    HE2  PHE 116           HE1      PHE 116   3.210   7.878 -19.110
  883    HZ   PHE 116           HZ       PHE 116   4.772   7.856 -21.039
  884    H    VAL 117           H        VAL 117   2.788   3.342 -17.249
  885    HA   VAL 117           HA       VAL 117   5.415   4.450 -17.704
  886    HB   VAL 117           HB       VAL 117   5.520   5.088 -15.353
  887   HG11  VAL 117          HG11      VAL 117   3.684   6.668 -15.442
  888   HG12  VAL 117          HG12      VAL 117   4.443   6.519 -17.030
  889   HG13  VAL 117          HG13      VAL 117   2.876   5.733 -16.699
  890   HG21  VAL 117          HG21      VAL 117   3.798   4.727 -13.784
  891   HG22  VAL 117          HG22      VAL 117   2.729   3.980 -14.978
  892   HG23  VAL 117          HG23      VAL 117   4.172   3.117 -14.417
  893    H    THR 118           H        THR 118   4.502   1.323 -16.319
  894    HA   THR 118           HA       THR 118   7.199   0.719 -15.332
  895    HB   THR 118           HB       THR 118   6.354  -1.665 -15.386
  896    HG1  THR 118           HG1      THR 118   3.843  -0.439 -15.764
  897   HG21  THR 118          HG21      THR 118   4.740   0.384 -13.790
  898   HG22  THR 118          HG22      THR 118   4.872  -1.349 -13.425
  899   HG23  THR 118          HG23      THR 118   6.308  -0.310 -13.321
  900    H    GLN 119           H        GLN 119   5.483   0.048 -18.399
  901    HA   GLN 119           HA       GLN 119   7.539  -1.426 -19.654
  902    HB2  GLN 119           HB2      GLN 119   5.445   0.481 -20.745
  903    HB3  GLN 119           HB3      GLN 119   6.565  -0.356 -21.804
  904    HG2  GLN 119           HG2      GLN 119   4.795  -1.880 -19.848
  905    HG3  GLN 119           HG3      GLN 119   4.271  -1.408 -21.459
  906   HE21  GLN 119          HE22      GLN 119   3.978  -3.843 -21.552
  907   HE22  GLN 119          HE21      GLN 119   5.377  -4.772 -22.102
  908    H    LEU 120           H        LEU 120   7.379   2.088 -19.114
  909    HA   LEU 120           HA       LEU 120   9.532   2.837 -20.849
  910    HB2  LEU 120           HB2      LEU 120   8.779   4.056 -18.157
  911    HB3  LEU 120           HB3      LEU 120   9.776   4.820 -19.381
  912    HG   LEU 120           HG       LEU 120   6.833   4.120 -19.721
  913   HD11  LEU 120          HD11      LEU 120   6.450   6.526 -19.527
  914   HD12  LEU 120          HD12      LEU 120   7.233   5.900 -18.076
  915   HD13  LEU 120          HD13      LEU 120   8.188   6.797 -19.273
  916   HD21  LEU 120          HD21      LEU 120   7.881   4.090 -21.906
  917   HD22  LEU 120          HD22      LEU 120   7.014   5.619 -21.735
  918   HD23  LEU 120          HD23      LEU 120   8.777   5.587 -21.549
  919    H    ARG 121           H        ARG 121   9.613   1.382 -17.644
  920    HA   ARG 121           HA       ARG 121  12.585   1.598 -17.475
  921    HB2  ARG 121           HB2      ARG 121  11.189   2.206 -15.524
  922    HB3  ARG 121           HB3      ARG 121  10.531   0.566 -15.471
  923    HG2  ARG 121           HG2      ARG 121  12.815  -0.331 -15.086
  924    HG3  ARG 121           HG3      ARG 121  13.489   1.299 -15.141
  925    HD2  ARG 121           HD2      ARG 121  11.394   0.389 -13.107
  926    HD3  ARG 121           HD3      ARG 121  13.131   0.228 -12.862
  927    HE   ARG 121           HE       ARG 121  11.983   2.929 -13.436
  928   HH11  ARG 121          HH11      ARG 121  13.596   0.825 -11.057
  929   HH12  ARG 121          HH12      ARG 121  13.932   2.151  -9.996
  930   HH21  ARG 121          HH21      ARG 121  12.423   4.586 -11.959
  931   HH22  ARG 121          HH22      ARG 121  13.279   4.218 -10.493
  932    H    TYR 122           H        TYR 122  10.024  -0.923 -17.798
  933    HA   TYR 122           HA       TYR 122  11.861  -3.150 -17.650
  934    HB2  TYR 122           HB2      TYR 122   9.486  -3.349 -17.131
  935    HB3  TYR 122           HB3      TYR 122   9.048  -2.911 -18.775
  936    HD1  TYR 122           HD1      TYR 122  11.130  -5.449 -16.905
  937    HD2  TYR 122           HD2      TYR 122   8.646  -4.625 -20.335
  938    HE1  TYR 122           HE1      TYR 122  11.280  -7.838 -17.593
  939    HE2  TYR 122           HE2      TYR 122   8.779  -7.009 -21.015
  940    HH   TYR 122           HH       TYR 122   9.646  -9.106 -20.526
  941    H    GLY 123           H        GLY 123  10.374  -1.457 -20.441
  942    HA2  GLY 123           HA2      GLY 123  11.866  -3.091 -22.415
  943    HA3  GLY 123           HA3      GLY 123  10.499  -1.986 -22.713
  944    H    LYS 124           H        LYS 124  13.339  -1.019 -20.824
  945    HA   LYS 124           HA       LYS 124  13.818   1.327 -22.320
  946    HB2  LYS 124           HB2      LYS 124  15.700   1.641 -20.879
  947    HB3  LYS 124           HB3      LYS 124  14.457   0.844 -19.941
  948    HG2  LYS 124           HG2      LYS 124  16.247  -0.423 -19.291
  949    HG3  LYS 124           HG3      LYS 124  15.751  -1.382 -20.675
  950    HD2  LYS 124           HD2      LYS 124  17.465   0.296 -21.935
  951    HD3  LYS 124           HD3      LYS 124  18.129   0.465 -20.319
  952    HE2  LYS 124           HE2      LYS 124  18.574  -1.940 -20.188
  953    HE3  LYS 124           HE3      LYS 124  17.624  -2.231 -21.653
  954    HZ1  LYS 124           HZ1      LYS 124  19.255  -0.913 -22.905
  955    HZ2  LYS 124           HZ2      LYS 124  20.194  -0.744 -21.568
  956    HZ3  LYS 124           HZ3      LYS 124  19.959  -2.230 -22.209
  957    H    SER 125           H        SER 125  15.543   1.960 -23.715
  958    HA   SER 125           HA       SER 125  15.852   0.492 -26.026
  959    HB2  SER 125           HB2      SER 125  17.774   2.606 -24.995
  960    HB3  SER 125           HB3      SER 125  17.529   2.137 -26.682
  961    HG   SER 125           HG       SER 125  15.393   2.938 -26.573
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  10.814  25.980   4.883
    2    H2   MET   1           H2       MET   1  12.430  25.760   4.705
    3    H3   MET   1           H3       MET   1  11.471  25.885   3.386
    4    HA   MET   1           HA       MET   1  12.104  23.593   3.709
    5    HB2  MET   1           HB2      MET   1  12.431  23.793   6.179
    6    HB3  MET   1           HB3      MET   1  10.679  23.840   6.401
    7    HG2  MET   1           HG2      MET   1  10.502  21.561   5.457
    8    HG3  MET   1           HG3      MET   1  12.244  21.536   5.160
    9    HE1  MET   1           HE1      MET   1  12.380  19.193   6.399
   10    HE2  MET   1           HE2      MET   1  11.718  18.899   8.022
   11    HE3  MET   1           HE3      MET   1  10.625  19.262   6.669
   12    H    ALA   2           H        ALA   2  10.760  22.133   2.648
   13    HA   ALA   2           HA       ALA   2   8.091  23.035   1.903
   14    HB1  ALA   2           HB1      ALA   2   9.571  20.454   1.223
   15    HB2  ALA   2           HB2      ALA   2   8.155  21.134   0.387
   16    HB3  ALA   2           HB3      ALA   2   9.703  21.985   0.319
   17    H    SER   3           H        SER   3   6.145  21.694   2.037
   18    HA   SER   3           HA       SER   3   5.718  20.835   4.767
   19    HB2  SER   3           HB2      SER   3   3.358  20.661   4.037
   20    HB3  SER   3           HB3      SER   3   4.116  22.233   3.740
   21    HG   SER   3           HG       SER   3   2.882  21.514   1.917
   22    HA   PRO   4           HA       PRO   4   4.613  16.577   3.039
   23    HB2  PRO   4           HB2      PRO   4   5.672  15.501   0.796
   24    HB3  PRO   4           HB3      PRO   4   4.329  16.682   0.732
   25    HG2  PRO   4           HG2      PRO   4   7.296  17.224   0.379
   26    HG3  PRO   4           HG3      PRO   4   5.939  17.753  -0.668
   27    HD2  PRO   4           HD2      PRO   4   7.032  19.328   1.283
   28    HD3  PRO   4           HD3      PRO   4   5.305  19.427   0.839
   29    H    HIS   5           H        HIS   5   5.513  14.512   3.518
   30    HA   HIS   5           HA       HIS   5   8.177  14.633   4.764
   31    HB2  HIS   5           HB2      HIS   5   5.924  13.686   5.695
   32    HB3  HIS   5           HB3      HIS   5   6.301  12.254   4.750
   33    HD1  HIS   5           HD1      HIS   5   9.212  11.610   5.447
   34    HD2  HIS   5           HD2      HIS   5   6.521  13.369   8.151
   35    HE1  HIS   5           HE1      HIS   5  10.113  11.097   7.781
   36    H    GLN   6           H        GLN   6   7.443  14.168   1.651
   37    HA   GLN   6           HA       GLN   6   9.696  12.382   1.029
   38    HB2  GLN   6           HB2      GLN   6   7.775  10.843   1.426
   39    HB3  GLN   6           HB3      GLN   6   6.806  11.740   0.257
   40    HG2  GLN   6           HG2      GLN   6   8.394  11.081  -1.560
   41    HG3  GLN   6           HG3      GLN   6   9.367  10.198  -0.375
   42   HE21  GLN   6          HE22      GLN   6   8.326   8.240   0.667
   43   HE22  GLN   6          HE21      GLN   6   7.028   7.446  -0.203
   44    H    GLU   7           H        GLU   7  10.584  12.881  -0.974
   45    HA   GLU   7           HA       GLU   7   9.056  14.598  -2.854
   46    HB2  GLU   7           HB2      GLU   7  11.917  15.085  -1.921
   47    HB3  GLU   7           HB3      GLU   7  11.160  15.867  -3.313
   48    HG2  GLU   7           HG2      GLU   7   9.435  16.855  -1.838
   49    HG3  GLU   7           HG3      GLU   7  10.217  16.126  -0.429
   50    HA   PRO   8           HA       PRO   8  10.643  11.431  -5.549
   51    HB2  PRO   8           HB2      PRO   8   9.810  12.298  -7.979
   52    HB3  PRO   8           HB3      PRO   8   8.658  11.818  -6.698
   53    HG2  PRO   8           HG2      PRO   8   9.608  14.618  -7.367
   54    HG3  PRO   8           HG3      PRO   8   7.920  14.043  -7.180
   55    HD2  PRO   8           HD2      PRO   8   9.287  15.257  -5.149
   56    HD3  PRO   8           HD3      PRO   8   8.132  13.922  -4.841
   57    H    LYS   9           H        LYS   9  12.149  10.908  -7.094
   58    HA   LYS   9           HA       LYS   9  14.115  12.964  -7.968
   59    HB2  LYS   9           HB2      LYS   9  14.480  10.160  -6.813
   60    HB3  LYS   9           HB3      LYS   9  15.769  10.924  -7.715
   61    HG2  LYS   9           HG2      LYS   9  14.523  12.097  -5.194
   62    HG3  LYS   9           HG3      LYS   9  16.005  11.142  -5.265
   63    HD2  LYS   9           HD2      LYS   9  17.033  12.860  -6.784
   64    HD3  LYS   9           HD3      LYS   9  15.567  13.822  -6.655
   65    HE2  LYS   9           HE2      LYS   9  17.102  14.785  -5.131
   66    HE3  LYS   9           HE3      LYS   9  15.870  13.971  -4.171
   67    HZ1  LYS   9           HZ1      LYS   9  17.457  12.130  -3.834
   68    HZ2  LYS   9           HZ2      LYS   9  18.581  12.879  -4.761
   69    HZ3  LYS   9           HZ3      LYS   9  18.117  13.540  -3.343
   70    HA   PRO  10           HA       PRO  10  13.881  11.865 -12.173
   71    HB2  PRO  10           HB2      PRO  10  16.734  10.856 -11.999
   72    HB3  PRO  10           HB3      PRO  10  15.974  11.852 -13.281
   73    HG2  PRO  10           HG2      PRO  10  17.452  13.048 -11.380
   74    HG3  PRO  10           HG3      PRO  10  15.870  13.761 -11.837
   75    HD2  PRO  10           HD2      PRO  10  16.561  12.061  -9.445
   76    HD3  PRO  10           HD3      PRO  10  15.526  13.515  -9.537
   77    H    GLY  11           H        GLY  11  12.816  10.210 -13.100
   78    HA2  GLY  11           HA2      GLY  11  12.509   8.081 -14.004
   79    HA3  GLY  11           HA3      GLY  11  13.829   7.441 -12.999
   80    H    ASP  12           H        ASP  12  11.975   9.025 -10.770
   81    HA   ASP  12           HA       ASP  12  11.000   6.633  -9.640
   82    HB2  ASP  12           HB2      ASP  12  10.392   9.543  -9.069
   83    HB3  ASP  12           HB3      ASP  12   9.615   8.242  -8.194
   84    H    LEU  13           H        LEU  13   9.106   5.643  -9.468
   85    HA   LEU  13           HA       LEU  13   6.893   6.366 -11.313
   86    HB2  LEU  13           HB2      LEU  13   7.279   3.980  -9.430
   87    HB3  LEU  13           HB3      LEU  13   5.863   4.268 -10.415
   88    HG   LEU  13           HG       LEU  13   6.923   2.690 -11.658
   89   HD11  LEU  13          HD11      LEU  13   7.716   3.671 -13.691
   90   HD12  LEU  13          HD12      LEU  13   6.529   4.801 -12.993
   91   HD13  LEU  13          HD13      LEU  13   8.266   5.132 -12.849
   92   HD21  LEU  13          HD21      LEU  13   9.345   2.513 -12.079
   93   HD22  LEU  13          HD22      LEU  13   9.637   3.932 -11.056
   94   HD23  LEU  13          HD23      LEU  13   8.954   2.446 -10.356
   95    H    ILE  14           H        ILE  14   5.321   7.632 -10.639
   96    HA   ILE  14           HA       ILE  14   4.857   7.978  -7.692
   97    HB   ILE  14           HB       ILE  14   4.313   9.894  -9.996
   98   HG12  ILE  14          HG12      ILE  14   6.242   9.986  -7.631
   99   HG13  ILE  14          HG13      ILE  14   6.681   9.823  -9.332
  100   HG21  ILE  14          HG21      ILE  14   2.486   9.975  -8.285
  101   HG22  ILE  14          HG22      ILE  14   3.703  10.252  -7.024
  102   HG23  ILE  14          HG23      ILE  14   3.422  11.450  -8.309
  103   HD11  ILE  14          HD11      ILE  14   5.507  12.289  -7.994
  104   HD12  ILE  14          HD12      ILE  14   7.116  12.077  -8.673
  105   HD13  ILE  14          HD13      ILE  14   5.716  12.107  -9.760
  106    H    GLU  15           H        GLU  15   3.041   7.198  -6.913
  107    HA   GLU  15           HA       GLU  15   0.831   6.299  -8.701
  108    HB2  GLU  15           HB2      GLU  15   1.296   5.968  -5.705
  109    HB3  GLU  15           HB3      GLU  15  -0.151   5.441  -6.576
  110    HG2  GLU  15           HG2      GLU  15   1.214   3.932  -7.967
  111    HG3  GLU  15           HG3      GLU  15   2.665   4.415  -7.088
  112    H    ILE  16           H        ILE  16  -1.011   7.470  -8.807
  113    HA   ILE  16           HA       ILE  16  -1.385   9.828  -6.980
  114    HB   ILE  16           HB       ILE  16  -2.132   9.707  -9.931
  115   HG12  ILE  16          HG12      ILE  16   0.214  11.172  -8.641
  116   HG13  ILE  16          HG13      ILE  16   0.346   9.752  -9.674
  117   HG21  ILE  16          HG21      ILE  16  -3.557  11.147  -8.438
  118   HG22  ILE  16          HG22      ILE  16  -2.105  12.016  -7.921
  119   HG23  ILE  16          HG23      ILE  16  -2.660  12.108  -9.607
  120   HD11  ILE  16          HD11      ILE  16   0.888  11.672 -10.983
  121   HD12  ILE  16          HD12      ILE  16  -0.645  10.999 -11.570
  122   HD13  ILE  16          HD13      ILE  16  -0.637  12.477 -10.571
  123    H    PHE  17           H        PHE  17  -3.158   9.580  -5.796
  124    HA   PHE  17           HA       PHE  17  -5.115   7.455  -6.524
  125    HB2  PHE  17           HB2      PHE  17  -4.429   8.799  -3.890
  126    HB3  PHE  17           HB3      PHE  17  -5.723   7.623  -4.104
  127    HD1  PHE  17           HD1      PHE  17  -5.246   5.256  -4.626
  128    HD2  PHE  17           HD2      PHE  17  -2.048   8.084  -3.981
  129    HE1  PHE  17           HE1      PHE  17  -3.618   3.387  -4.458
  130    HE2  PHE  17           HE2      PHE  17  -0.440   6.214  -3.806
  131    HZ   PHE  17           HZ       PHE  17  -1.214   3.864  -4.064
  132    H    ARG  18           H        ARG  18  -6.244   8.607  -8.078
  133    HA   ARG  18           HA       ARG  18  -7.736  11.041  -7.344
  134    HB2  ARG  18           HB2      ARG  18  -8.229   9.307  -9.799
  135    HB3  ARG  18           HB3      ARG  18  -8.619  11.005  -9.547
  136    HG2  ARG  18           HG2      ARG  18  -6.036  11.373  -9.393
  137    HG3  ARG  18           HG3      ARG  18  -5.895   9.751 -10.064
  138    HD2  ARG  18           HD2      ARG  18  -7.308  10.445 -12.006
  139    HD3  ARG  18           HD3      ARG  18  -7.389  12.080 -11.359
  140    HE   ARG  18           HE       ARG  18  -5.194  10.833 -12.790
  141   HH11  ARG  18          HH11      ARG  18  -5.852  13.490 -10.495
  142   HH12  ARG  18          HH12      ARG  18  -4.452  14.375 -11.030
  143   HH21  ARG  18          HH21      ARG  18  -3.420  12.073 -13.389
  144   HH22  ARG  18          HH22      ARG  18  -3.136  13.608 -12.613
  145    H    LEU  19           H        LEU  19 -10.191  10.995  -7.647
  146    HA   LEU  19           HA       LEU  19 -11.328   9.281  -5.695
  147    HB2  LEU  19           HB2      LEU  19 -12.562  11.097  -7.804
  148    HB3  LEU  19           HB3      LEU  19 -13.540  10.162  -6.699
  149    HG   LEU  19           HG       LEU  19 -13.389  12.427  -5.950
  150   HD11  LEU  19          HD11      LEU  19 -13.569  10.614  -4.262
  151   HD12  LEU  19          HD12      LEU  19 -11.805  10.674  -4.030
  152   HD13  LEU  19          HD13      LEU  19 -12.802  12.084  -3.633
  153   HD21  LEU  19          HD21      LEU  19 -10.387  12.113  -5.536
  154   HD22  LEU  19          HD22      LEU  19 -11.143  13.031  -6.865
  155   HD23  LEU  19          HD23      LEU  19 -11.385  13.531  -5.182
  156    H    GLY  20           H        GLY  20 -11.607   7.185  -5.815
  157    HA2  GLY  20           HA2      GLY  20 -12.545   5.173  -6.444
  158    HA3  GLY  20           HA3      GLY  20 -13.199   5.937  -7.907
  159    H    TYR  21           H        TYR  21  -9.943   6.610  -8.076
  160    HA   TYR  21           HA       TYR  21  -9.123   4.109  -9.351
  161    HB2  TYR  21           HB2      TYR  21  -9.718   6.646 -10.909
  162    HB3  TYR  21           HB3      TYR  21  -8.713   5.352 -11.527
  163    HD1  TYR  21           HD2      TYR  21  -9.674   3.061 -11.922
  164    HD2  TYR  21           HD1      TYR  21 -12.118   6.503 -11.058
  165    HE1  TYR  21           HE2      TYR  21 -11.643   1.902 -12.911
  166    HE2  TYR  21           HE1      TYR  21 -14.096   5.348 -12.029
  167    HH   TYR  21           HH       TYR  21 -13.890   2.042 -13.429
  168    H    GLU  22           H        GLU  22  -7.090   3.819  -8.741
  169    HA   GLU  22           HA       GLU  22  -5.201   6.004  -8.285
  170    HB2  GLU  22           HB2      GLU  22  -3.542   4.187  -8.049
  171    HB3  GLU  22           HB3      GLU  22  -4.876   4.100  -6.910
  172    HG2  GLU  22           HG2      GLU  22  -4.915   2.425  -9.441
  173    HG3  GLU  22           HG3      GLU  22  -3.986   1.933  -8.036
  174    H    HIS  23           H        HIS  23  -3.644   6.728  -9.625
  175    HA   HIS  23           HA       HIS  23  -3.401   5.626 -12.392
  176    HB2  HIS  23           HB2      HIS  23  -3.645   8.518 -11.453
  177    HB3  HIS  23           HB3      HIS  23  -3.039   8.082 -13.040
  178    HD1  HIS  23           HD1      HIS  23  -6.342   7.397 -11.056
  179    HD2  HIS  23           HD2      HIS  23  -4.805   8.030 -14.929
  180    HE1  HIS  23           HE1      HIS  23  -8.348   7.549 -12.628
  181    H    TRP  24           H        TRP  24  -1.253   6.533 -13.402
  182    HA   TRP  24           HA       TRP  24   0.944   6.596 -11.376
  183    HB2  TRP  24           HB2      TRP  24   0.664   4.696 -13.728
  184    HB3  TRP  24           HB3      TRP  24   2.160   4.984 -12.867
  185    HD1  TRP  24           HD1      TRP  24   2.646   3.693 -10.745
  186    HE1  TRP  24           HE1      TRP  24   1.474   1.836  -9.425
  187    HE3  TRP  24           HE3      TRP  24  -1.964   3.846 -12.990
  188    HZ2  TRP  24           HZ2      TRP  24  -1.110   0.577  -9.344
  189    HZ3  TRP  24           HZ3      TRP  24  -3.755   2.309 -12.272
  190    HH2  TRP  24           HH2      TRP  24  -3.343   0.654 -10.464
  191    H    ALA  25           H        ALA  25   2.751   7.735 -11.923
  192    HA   ALA  25           HA       ALA  25   3.095   8.741 -14.716
  193    HB1  ALA  25           HB1      ALA  25   3.161  10.478 -12.203
  194    HB2  ALA  25           HB2      ALA  25   3.462  11.011 -13.871
  195    HB3  ALA  25           HB3      ALA  25   1.849  10.455 -13.394
  196    H    LEU  26           H        LEU  26   5.183   9.313 -15.311
  197    HA   LEU  26           HA       LEU  26   7.439   8.254 -13.666
  198    HB2  LEU  26           HB2      LEU  26   6.895   7.557 -16.113
  199    HB3  LEU  26           HB3      LEU  26   7.411   9.147 -16.606
  200    HG   LEU  26           HG       LEU  26   9.117   7.545 -17.033
  201   HD11  LEU  26          HD11      LEU  26   9.844   9.802 -16.262
  202   HD12  LEU  26          HD12      LEU  26  10.124   9.118 -14.640
  203   HD13  LEU  26          HD13      LEU  26  11.047   8.518 -16.029
  204   HD21  LEU  26          HD21      LEU  26   8.479   5.851 -15.328
  205   HD22  LEU  26          HD22      LEU  26  10.215   6.191 -15.318
  206   HD23  LEU  26          HD23      LEU  26   9.183   6.882 -14.058
  207    H    TYR  27           H        TYR  27   8.473   9.789 -12.415
  208    HA   TYR  27           HA       TYR  27   8.232  12.655 -13.066
  209    HB2  TYR  27           HB2      TYR  27   8.000  11.813 -10.785
  210    HB3  TYR  27           HB3      TYR  27   9.646  11.206 -10.812
  211    HD1  TYR  27           HD2      TYR  27   7.542  14.272 -10.678
  212    HD2  TYR  27           HD1      TYR  27  11.542  12.692 -10.563
  213    HE1  TYR  27           HE2      TYR  27   8.374  16.453  -9.826
  214    HE2  TYR  27           HE1      TYR  27  12.365  14.842  -9.605
  215    HH   TYR  27           HH       TYR  27  10.204  17.613  -8.968
  216    H    ILE  28           H        ILE  28   9.685  13.948 -14.048
  217    HA   ILE  28           HA       ILE  28  12.180  12.561 -15.012
  218    HB   ILE  28           HB       ILE  28  12.088  13.872 -16.992
  219   HG12  ILE  28          HG12      ILE  28   9.525  15.164 -15.996
  220   HG13  ILE  28          HG13      ILE  28  11.104  15.968 -16.075
  221   HG21  ILE  28          HG21      ILE  28  10.225  12.790 -18.026
  222   HG22  ILE  28          HG22      ILE  28  10.781  11.732 -16.742
  223   HG23  ILE  28          HG23      ILE  28   9.305  12.697 -16.515
  224   HD11  ILE  28          HD11      ILE  28  11.126  15.455 -18.563
  225   HD12  ILE  28          HD12      ILE  28   9.439  14.909 -18.390
  226   HD13  ILE  28          HD13      ILE  28   9.865  16.595 -18.028
  227    H    GLY  29           H        GLY  29  11.706  14.704 -12.621
  228    HA2  GLY  29           HA2      GLY  29  13.582  15.383 -11.356
  229    HA3  GLY  29           HA3      GLY  29  14.573  15.462 -12.816
  230    H    ASP  30           H        ASP  30  12.489  17.192 -14.156
  231    HA   ASP  30           HA       ASP  30  13.530  19.759 -13.193
  232    HB2  ASP  30           HB2      ASP  30  11.735  19.002 -15.534
  233    HB3  ASP  30           HB3      ASP  30  12.398  20.612 -15.259
  234    H    GLY  31           H        GLY  31  11.158  18.153 -11.810
  235    HA2  GLY  31           HA2      GLY  31   9.351  18.886 -10.453
  236    HA3  GLY  31           HA3      GLY  31   9.335  20.454 -11.299
  237    H    TYR  32           H        TYR  32   9.574  18.293 -13.692
  238    HA   TYR  32           HA       TYR  32   6.669  18.208 -14.263
  239    HB2  TYR  32           HB2      TYR  32   9.181  17.980 -15.943
  240    HB3  TYR  32           HB3      TYR  32   7.624  17.464 -16.563
  241    HD1  TYR  32           HD1      TYR  32   9.417  20.454 -15.178
  242    HD2  TYR  32           HD2      TYR  32   6.059  18.990 -17.447
  243    HE1  TYR  32           HE1      TYR  32   8.853  22.780 -15.844
  244    HE2  TYR  32           HE2      TYR  32   5.503  21.309 -18.137
  245    HH   TYR  32           HH       TYR  32   6.092  23.544 -18.019
  246    H    VAL  33           H        VAL  33   5.672  16.400 -15.125
  247    HA   VAL  33           HA       VAL  33   6.959  13.738 -14.674
  248    HB   VAL  33           HB       VAL  33   4.648  12.854 -14.204
  249   HG11  VAL  33          HG11      VAL  33   4.616  13.431 -11.838
  250   HG12  VAL  33          HG12      VAL  33   6.257  13.103 -12.391
  251   HG13  VAL  33          HG13      VAL  33   5.734  14.785 -12.132
  252   HG21  VAL  33          HG21      VAL  33   3.379  14.871 -15.026
  253   HG22  VAL  33          HG22      VAL  33   2.892  14.300 -13.413
  254   HG23  VAL  33          HG23      VAL  33   3.905  15.745 -13.580
  255    H    ILE  34           H        ILE  34   6.289  12.122 -16.073
  256    HA   ILE  34           HA       ILE  34   4.720  12.950 -18.499
  257    HB   ILE  34           HB       ILE  34   7.141  11.134 -18.174
  258   HG12  ILE  34          HG12      ILE  34   6.409  13.462 -20.003
  259   HG13  ILE  34          HG13      ILE  34   7.467  13.535 -18.601
  260   HG21  ILE  34          HG21      ILE  34   6.671  10.404 -20.580
  261   HG22  ILE  34          HG22      ILE  34   5.536   9.779 -19.395
  262   HG23  ILE  34          HG23      ILE  34   5.072  11.146 -20.435
  263   HD11  ILE  34          HD11      ILE  34   8.037  12.104 -21.214
  264   HD12  ILE  34          HD12      ILE  34   8.821  13.551 -20.571
  265   HD13  ILE  34          HD13      ILE  34   9.059  11.989 -19.763
  266    H    HIS  35           H        HIS  35   2.910  11.762 -18.975
  267    HA   HIS  35           HA       HIS  35   2.167   9.463 -17.244
  268    HB2  HIS  35           HB2      HIS  35   0.175  10.798 -16.411
  269    HB3  HIS  35           HB3      HIS  35   1.726  11.359 -15.810
  270    HD1  HIS  35           HD1      HIS  35  -1.223  12.636 -17.819
  271    HD2  HIS  35           HD2      HIS  35   2.743  13.686 -16.926
  272    HE1  HIS  35           HE1      HIS  35  -0.942  15.081 -18.504
  273    H    LEU  36           H        LEU  36   0.263   8.354 -17.971
  274    HA   LEU  36           HA       LEU  36  -0.592   8.966 -20.750
  275    HB2  LEU  36           HB2      LEU  36   0.022   6.634 -20.060
  276    HB3  LEU  36           HB3      LEU  36  -1.258   6.671 -18.851
  277    HG   LEU  36           HG       LEU  36  -2.917   6.995 -20.758
  278   HD11  LEU  36          HD11      LEU  36  -1.330   7.776 -22.512
  279   HD12  LEU  36          HD12      LEU  36  -0.491   6.211 -22.451
  280   HD13  LEU  36          HD13      LEU  36  -2.160   6.305 -23.033
  281   HD21  LEU  36          HD21      LEU  36  -2.584   4.817 -19.667
  282   HD22  LEU  36          HD22      LEU  36  -2.893   4.610 -21.398
  283   HD23  LEU  36          HD23      LEU  36  -1.240   4.448 -20.772
  284    H    ALA  37           H        ALA  37  -2.539   9.938 -21.198
  285    HA   ALA  37           HA       ALA  37  -4.249  10.784 -18.893
  286    HB1  ALA  37           HB1      ALA  37  -2.995  12.559 -20.021
  287    HB2  ALA  37           HB2      ALA  37  -3.697  12.093 -21.589
  288    HB3  ALA  37           HB3      ALA  37  -4.739  12.738 -20.302
  289    HA   PRO  38           HA       PRO  38  -7.391   8.141 -20.853
  290    HB2  PRO  38           HB2      PRO  38  -9.109   9.820 -19.000
  291    HB3  PRO  38           HB3      PRO  38  -9.203   8.059 -19.306
  292    HG2  PRO  38           HG2      PRO  38  -7.991   8.947 -17.079
  293    HG3  PRO  38           HG3      PRO  38  -7.206   7.660 -18.051
  294    HD2  PRO  38           HD2      PRO  38  -6.609  10.630 -18.035
  295    HD3  PRO  38           HD3      PRO  38  -5.480   9.241 -18.000
  296    HA   PRO  39           HA       PRO  39  -9.130  10.687 -24.037
  297    HB2  PRO  39           HB2      PRO  39 -11.604   9.532 -24.555
  298    HB3  PRO  39           HB3      PRO  39 -10.035   8.854 -25.078
  299    HG2  PRO  39           HG2      PRO  39 -11.672   8.140 -22.638
  300    HG3  PRO  39           HG3      PRO  39 -10.858   7.037 -23.795
  301    HD2  PRO  39           HD2      PRO  39  -9.753   7.650 -21.419
  302    HD3  PRO  39           HD3      PRO  39  -8.734   7.493 -22.885
  303    H    SER  40           H        SER  40 -10.595  12.375 -24.539
  304    HA   SER  40           HA       SER  40 -11.611  13.781 -22.225
  305    HB2  SER  40           HB2      SER  40 -12.171  15.513 -23.935
  306    HB3  SER  40           HB3      SER  40 -10.487  14.973 -23.987
  307    HG   SER  40           HG       SER  40 -11.433  15.096 -26.107
  308    H    GLU  41           H        GLU  41 -13.157  11.650 -24.507
  309    HA   GLU  41           HA       GLU  41 -15.700  11.917 -23.101
  310    HB2  GLU  41           HB2      GLU  41 -15.852  13.759 -24.751
  311    HB3  GLU  41           HB3      GLU  41 -15.573  12.612 -26.069
  312    HG2  GLU  41           HG2      GLU  41 -17.671  11.453 -25.541
  313    HG3  GLU  41           HG3      GLU  41 -17.843  12.419 -24.067
  314    H    TYR  42           H        TYR  42 -16.060   9.840 -22.645
  315    HA   TYR  42           HA       TYR  42 -15.531   7.688 -24.565
  316    HB2  TYR  42           HB2      TYR  42 -15.187   7.464 -22.087
  317    HB3  TYR  42           HB3      TYR  42 -16.933   7.563 -21.874
  318    HD1  TYR  42           HD1      TYR  42 -18.407   5.701 -22.711
  319    HD2  TYR  42           HD2      TYR  42 -14.114   5.500 -23.007
  320    HE1  TYR  42           HE1      TYR  42 -18.559   3.274 -23.194
  321    HE2  TYR  42           HE2      TYR  42 -14.258   3.067 -23.496
  322    HH   TYR  42           HH       TYR  42 -15.661   1.248 -23.805
  323    HA   PRO  43           HA       PRO  43 -19.358   8.252 -26.621
  324    HB2  PRO  43           HB2      PRO  43 -19.884   5.764 -27.708
  325    HB3  PRO  43           HB3      PRO  43 -18.629   6.895 -28.298
  326    HG2  PRO  43           HG2      PRO  43 -18.269   4.591 -26.350
  327    HG3  PRO  43           HG3      PRO  43 -17.307   4.949 -27.824
  328    HD2  PRO  43           HD2      PRO  43 -16.404   5.743 -25.439
  329    HD3  PRO  43           HD3      PRO  43 -16.329   6.875 -26.819
  330    H    GLY  44           H        GLY  44 -21.259   8.599 -25.756
  331    HA2  GLY  44           HA2      GLY  44 -23.338   8.240 -24.933
  332    HA3  GLY  44           HA3      GLY  44 -23.034   6.485 -24.985
  333    H    ALA  45           H        ALA  45 -20.743   8.035 -23.009
  334    HA   ALA  45           HA       ALA  45 -21.845   6.804 -20.620
  335    HB1  ALA  45           HB1      ALA  45 -19.768   7.688 -19.570
  336    HB2  ALA  45           HB2      ALA  45 -19.458   6.775 -21.050
  337    HB3  ALA  45           HB3      ALA  45 -19.388   8.553 -21.069
  338    H    GLY  46           H        GLY  46 -23.869   7.842 -20.309
  339    HA2  GLY  46           HA2      GLY  46 -25.243   9.233 -19.062
  340    HA3  GLY  46           HA3      GLY  46 -23.780   9.888 -18.305
  341    H    SER  47           H        SER  47 -23.375  11.981 -18.668
  342    HA   SER  47           HA       SER  47 -24.858  13.618 -20.533
  343    HB2  SER  47           HB2      SER  47 -22.297  14.233 -19.008
  344    HB3  SER  47           HB3      SER  47 -23.379  15.410 -19.765
  345    HG   SER  47           HG       SER  47 -23.771  15.198 -17.485
  346    H    SER  48           H        SER  48 -21.967  11.685 -20.974
  347    HA   SER  48           HA       SER  48 -20.799  13.225 -23.140
  348    HB2  SER  48           HB2      SER  48 -20.497  10.318 -22.338
  349    HB3  SER  48           HB3      SER  48 -19.555  11.128 -23.587
  350    HG   SER  48           HG       SER  48 -18.555  11.099 -21.405
  351    H    SER  49           H        SER  49 -20.956  12.986 -25.316
  352    HA   SER  49           HA       SER  49 -23.416  11.645 -26.359
  353    HB2  SER  49           HB2      SER  49 -23.160  14.103 -26.574
  354    HB3  SER  49           HB3      SER  49 -21.695  13.856 -27.541
  355    HG   SER  49           HG       SER  49 -23.754  14.162 -28.744
  356    H    VAL  50           H        VAL  50 -22.290  11.912 -29.095
  357    HA   VAL  50           HA       VAL  50 -21.421  10.627 -30.698
  358    HB   VAL  50           HB       VAL  50 -19.068  10.181 -30.735
  359   HG11  VAL  50          HG11      VAL  50 -19.681  12.865 -29.462
  360   HG12  VAL  50          HG12      VAL  50 -18.294  12.467 -30.493
  361   HG13  VAL  50          HG13      VAL  50 -19.926  12.434 -31.167
  362   HG21  VAL  50          HG21      VAL  50 -17.513  10.657 -28.964
  363   HG22  VAL  50          HG22      VAL  50 -18.817  11.075 -27.842
  364   HG23  VAL  50          HG23      VAL  50 -18.623   9.400 -28.410
  365    H    PHE  51           H        PHE  51 -23.054   9.171 -28.968
  366    HA   PHE  51           HA       PHE  51 -22.464   6.730 -28.020
  367    HB2  PHE  51           HB2      PHE  51 -24.809   7.343 -29.880
  368    HB3  PHE  51           HB3      PHE  51 -24.739   6.049 -28.708
  369    HD1  PHE  51           HD1      PHE  51 -25.020   9.737 -29.136
  370    HD2  PHE  51           HD2      PHE  51 -25.207   6.431 -26.368
  371    HE1  PHE  51           HE1      PHE  51 -26.009  11.231 -27.416
  372    HE2  PHE  51           HE2      PHE  51 -26.220   7.925 -24.659
  373    HZ   PHE  51           HZ       PHE  51 -26.608  10.328 -25.177
  374    H    SER  52           H        SER  52 -22.959   7.301 -31.537
  375    HA   SER  52           HA       SER  52 -22.565   4.528 -32.256
  376    HB2  SER  52           HB2      SER  52 -22.564   7.001 -34.027
  377    HB3  SER  52           HB3      SER  52 -22.833   5.325 -34.531
  378    HG   SER  52           HG       SER  52 -24.828   6.468 -34.267
  379    H    VAL  53           H        VAL  53 -20.203   6.831 -31.467
  380    HA   VAL  53           HA       VAL  53 -18.233   6.035 -33.542
  381    HB   VAL  53           HB       VAL  53 -17.950   7.986 -31.220
  382   HG11  VAL  53          HG11      VAL  53 -16.097   7.393 -33.577
  383   HG12  VAL  53          HG12      VAL  53 -15.917   8.755 -32.452
  384   HG13  VAL  53          HG13      VAL  53 -15.749   7.104 -31.857
  385   HG21  VAL  53          HG21      VAL  53 -18.048   9.717 -33.009
  386   HG22  VAL  53          HG22      VAL  53 -18.396   8.453 -34.210
  387   HG23  VAL  53          HG23      VAL  53 -19.555   8.807 -32.911
  388    H    LEU  54           H        LEU  54 -17.033   4.275 -33.276
  389    HA   LEU  54           HA       LEU  54 -16.798   2.973 -30.641
  390    HB2  LEU  54           HB2      LEU  54 -15.814   2.127 -33.399
  391    HB3  LEU  54           HB3      LEU  54 -15.838   1.120 -31.955
  392    HG   LEU  54           HG       LEU  54 -18.292   2.216 -33.404
  393   HD11  LEU  54          HD11      LEU  54 -17.197  -0.619 -33.166
  394   HD12  LEU  54          HD12      LEU  54 -18.687  -0.131 -34.003
  395   HD13  LEU  54          HD13      LEU  54 -17.112   0.413 -34.612
  396   HD21  LEU  54          HD21      LEU  54 -18.812   2.042 -31.013
  397   HD22  LEU  54          HD22      LEU  54 -19.588   0.716 -31.886
  398   HD23  LEU  54          HD23      LEU  54 -18.112   0.405 -30.950
  399    H    SER  55           H        SER  55 -14.760   5.050 -32.516
  400    HA   SER  55           HA       SER  55 -12.220   4.098 -31.472
  401    HB2  SER  55           HB2      SER  55 -12.488   5.323 -33.624
  402    HB3  SER  55           HB3      SER  55 -12.874   6.796 -32.704
  403    HG   SER  55           HG       SER  55 -10.613   6.642 -33.273
  404    H    ASN  56           H        ASN  56 -11.088   4.708 -29.691
  405    HA   ASN  56           HA       ASN  56 -11.512   7.108 -28.209
  406    HB2  ASN  56           HB2      ASN  56 -13.387   5.074 -27.569
  407    HB3  ASN  56           HB3      ASN  56 -12.174   4.942 -26.312
  408   HD21  ASN  56          HD22      ASN  56 -13.878   7.583 -28.114
  409   HD22  ASN  56          HD21      ASN  56 -14.241   8.530 -26.657
  410    H    SER  57           H        SER  57  -9.556   7.612 -27.347
  411    HA   SER  57           HA       SER  57  -7.649   5.439 -26.586
  412    HB2  SER  57           HB2      SER  57  -7.195   7.536 -28.732
  413    HB3  SER  57           HB3      SER  57  -5.915   6.543 -28.006
  414    HG   SER  57           HG       SER  57  -6.820   5.669 -30.017
  415    H    ALA  58           H        ALA  58  -6.051   5.978 -25.201
  416    HA   ALA  58           HA       ALA  58  -6.142   8.585 -23.766
  417    HB1  ALA  58           HB1      ALA  58  -4.581   7.418 -22.240
  418    HB2  ALA  58           HB2      ALA  58  -6.084   6.499 -22.450
  419    HB3  ALA  58           HB3      ALA  58  -4.599   5.987 -23.294
  420    H    GLU  59           H        GLU  59  -4.236   9.881 -23.585
  421    HA   GLU  59           HA       GLU  59  -2.252   9.548 -25.820
  422    HB2  GLU  59           HB2      GLU  59  -3.890  11.500 -26.014
  423    HB3  GLU  59           HB3      GLU  59  -3.120  12.179 -24.568
  424    HG2  GLU  59           HG2      GLU  59  -0.929  12.182 -25.761
  425    HG3  GLU  59           HG3      GLU  59  -1.693  11.476 -27.183
  426    H    VAL  60           H        VAL  60  -0.075   9.702 -25.268
  427    HA   VAL  60           HA       VAL  60   0.611   9.880 -22.391
  428    HB   VAL  60           HB       VAL  60   2.461   9.737 -24.774
  429   HG11  VAL  60          HG11      VAL  60   2.911   9.228 -21.800
  430   HG12  VAL  60          HG12      VAL  60   4.149   9.014 -23.073
  431   HG13  VAL  60          HG13      VAL  60   3.527  10.618 -22.680
  432   HG21  VAL  60          HG21      VAL  60   1.081   7.674 -24.681
  433   HG22  VAL  60          HG22      VAL  60   2.748   7.337 -24.207
  434   HG23  VAL  60          HG23      VAL  60   1.491   7.485 -22.963
  435    H    LYS  61           H        LYS  61   1.055  11.741 -21.406
  436    HA   LYS  61           HA       LYS  61   1.753  14.202 -22.976
  437    HB2  LYS  61           HB2      LYS  61  -0.365  13.772 -20.834
  438    HB3  LYS  61           HB3      LYS  61   0.215  15.377 -21.295
  439    HG2  LYS  61           HG2      LYS  61  -0.495  14.974 -23.638
  440    HG3  LYS  61           HG3      LYS  61  -1.143  13.390 -23.171
  441    HD2  LYS  61           HD2      LYS  61  -2.694  14.431 -21.601
  442    HD3  LYS  61           HD3      LYS  61  -2.034  16.037 -21.928
  443    HE2  LYS  61           HE2      LYS  61  -3.570  14.256 -23.885
  444    HE3  LYS  61           HE3      LYS  61  -4.212  15.646 -23.008
  445    HZ1  LYS  61           HZ1      LYS  61  -2.478  17.014 -24.215
  446    HZ2  LYS  61           HZ2      LYS  61  -2.186  15.693 -25.177
  447    HZ3  LYS  61           HZ3      LYS  61  -3.655  16.397 -25.169
  448    H    ARG  62           H        ARG  62   2.669  15.931 -21.714
  449    HA   ARG  62           HA       ARG  62   4.174  15.124 -19.250
  450    HB2  ARG  62           HB2      ARG  62   5.643  15.300 -21.257
  451    HB3  ARG  62           HB3      ARG  62   5.058  16.934 -21.544
  452    HG2  ARG  62           HG2      ARG  62   6.058  17.683 -19.398
  453    HG3  ARG  62           HG3      ARG  62   6.593  16.033 -19.058
  454    HD2  ARG  62           HD2      ARG  62   8.470  17.330 -19.907
  455    HD3  ARG  62           HD3      ARG  62   8.039  16.094 -21.080
  456    HE   ARG  62           HE       ARG  62   7.351  17.713 -22.593
  457   HH11  ARG  62          HH11      ARG  62   8.090  19.418 -19.553
  458   HH12  ARG  62          HH12      ARG  62   8.007  20.965 -20.326
  459   HH21  ARG  62          HH21      ARG  62   7.232  19.743 -23.480
  460   HH22  ARG  62          HH22      ARG  62   7.538  21.146 -22.510
  461    H    GLU  63           H        GLU  63   3.769  16.464 -17.488
  462    HA   GLU  63           HA       GLU  63   3.467  19.334 -17.868
  463    HB2  GLU  63           HB2      GLU  63   1.065  17.661 -17.420
  464    HB3  GLU  63           HB3      GLU  63   1.271  18.883 -16.182
  465    HG2  GLU  63           HG2      GLU  63   1.031  19.392 -19.149
  466    HG3  GLU  63           HG3      GLU  63  -0.148  19.742 -17.894
  467    H    ARG  64           H        ARG  64   3.015  20.375 -15.601
  468    HA   ARG  64           HA       ARG  64   5.203  19.601 -13.887
  469    HB2  ARG  64           HB2      ARG  64   2.959  21.612 -13.550
  470    HB3  ARG  64           HB3      ARG  64   4.295  21.422 -12.404
  471    HG2  ARG  64           HG2      ARG  64   5.928  21.916 -14.198
  472    HG3  ARG  64           HG3      ARG  64   4.598  22.143 -15.355
  473    HD2  ARG  64           HD2      ARG  64   3.719  24.009 -14.000
  474    HD3  ARG  64           HD3      ARG  64   5.056  23.800 -12.842
  475    HE   ARG  64           HE       ARG  64   6.119  24.080 -15.479
  476   HH11  ARG  64          HH11      ARG  64   4.568  26.122 -13.041
  477   HH12  ARG  64          HH12      ARG  64   5.333  27.566 -13.636
  478   HH21  ARG  64          HH21      ARG  64   7.077  25.957 -16.191
  479   HH22  ARG  64          HH22      ARG  64   6.746  27.470 -15.397
  480    H    LEU  65           H        LEU  65   5.225  18.628 -11.867
  481    HA   LEU  65           HA       LEU  65   3.440  16.532 -11.354
  482    HB2  LEU  65           HB2      LEU  65   5.691  16.646 -10.419
  483    HB3  LEU  65           HB3      LEU  65   5.284  18.067  -9.461
  484    HG   LEU  65           HG       LEU  65   3.722  16.721  -8.080
  485   HD11  LEU  65          HD11      LEU  65   3.677  14.267  -8.256
  486   HD12  LEU  65          HD12      LEU  65   3.088  14.983  -9.765
  487   HD13  LEU  65          HD13      LEU  65   4.736  14.328  -9.682
  488   HD21  LEU  65          HD21      LEU  65   6.067  16.986  -7.395
  489   HD22  LEU  65          HD22      LEU  65   5.443  15.395  -6.918
  490   HD23  LEU  65          HD23      LEU  65   6.516  15.539  -8.330
  491    H    GLU  66           H        GLU  66   3.431  19.686  -9.606
  492    HA   GLU  66           HA       GLU  66   1.208  19.267  -7.965
  493    HB2  GLU  66           HB2      GLU  66   1.660  21.961  -9.288
  494    HB3  GLU  66           HB3      GLU  66   1.004  21.592  -7.690
  495    HG2  GLU  66           HG2      GLU  66   3.316  20.677  -7.110
  496    HG3  GLU  66           HG3      GLU  66   3.850  21.332  -8.675
  497    H    ASP  67           H        ASP  67   1.223  20.724 -11.248
  498    HA   ASP  67           HA       ASP  67  -1.559  21.058 -11.449
  499    HB2  ASP  67           HB2      ASP  67   0.586  20.782 -13.586
  500    HB3  ASP  67           HB3      ASP  67  -1.097  21.156 -13.951
  501    H    VAL  68           H        VAL  68   0.453  18.274 -12.366
  502    HA   VAL  68           HA       VAL  68  -1.694  16.795 -13.550
  503    HB   VAL  68           HB       VAL  68   1.055  15.925 -12.639
  504   HG11  VAL  68          HG11      VAL  68  -0.307  13.893 -12.554
  505   HG12  VAL  68          HG12      VAL  68  -1.061  14.282 -14.118
  506   HG13  VAL  68          HG13      VAL  68   0.656  13.852 -14.032
  507   HG21  VAL  68          HG21      VAL  68   0.931  17.450 -14.590
  508   HG22  VAL  68          HG22      VAL  68   1.411  15.845 -15.132
  509   HG23  VAL  68          HG23      VAL  68  -0.250  16.397 -15.379
  510    H    VAL  69           H        VAL  69  -0.229  16.606 -10.193
  511    HA   VAL  69           HA       VAL  69  -2.038  14.526  -9.448
  512    HB   VAL  69           HB       VAL  69  -1.359  14.891  -7.203
  513   HG11  VAL  69          HG11      VAL  69   0.071  13.542  -8.549
  514   HG12  VAL  69          HG12      VAL  69   0.920  14.952  -9.190
  515   HG13  VAL  69          HG13      VAL  69   1.099  14.512  -7.488
  516   HG21  VAL  69          HG21      VAL  69  -1.217  17.293  -6.951
  517   HG22  VAL  69          HG22      VAL  69   0.339  16.569  -6.543
  518   HG23  VAL  69          HG23      VAL  69   0.121  17.361  -8.109
  519    H    GLY  70           H        GLY  70  -2.283  18.109  -9.210
  520    HA2  GLY  70           HA2      GLY  70  -4.123  19.458  -8.856
  521    HA3  GLY  70           HA3      GLY  70  -5.138  18.063  -9.253
  522    H    GLY  71           H        GLY  71  -6.654  17.984  -7.706
  523    HA2  GLY  71           HA2      GLY  71  -6.091  18.402  -4.844
  524    HA3  GLY  71           HA3      GLY  71  -7.650  17.978  -5.590
  525    H    CYS  72           H        CYS  72  -5.660  15.736  -6.884
  526    HA   CYS  72           HA       CYS  72  -6.579  13.602  -5.132
  527    HB2  CYS  72           HB2      CYS  72  -4.659  13.447  -7.493
  528    HB3  CYS  72           HB3      CYS  72  -5.636  12.147  -6.809
  529    HG   CYS  72           HG       CYS  72  -7.993  13.521  -7.237
  530    H    CYS  73           H        CYS  73  -5.267  12.145  -3.950
  531    HA   CYS  73           HA       CYS  73  -2.819  13.248  -2.758
  532    HB2  CYS  73           HB2      CYS  73  -4.595  11.956  -1.504
  533    HB3  CYS  73           HB3      CYS  73  -4.091  10.498  -2.378
  534    HG   CYS  73           HG       CYS  73  -3.106  10.509   0.097
  535    H    TYR  74           H        TYR  74  -0.744  11.968  -2.725
  536    HA   TYR  74           HA       TYR  74  -0.271  10.067  -4.843
  537    HB2  TYR  74           HB2      TYR  74   1.180  11.314  -6.251
  538    HB3  TYR  74           HB3      TYR  74  -0.298  12.239  -6.121
  539    HD1  TYR  74           HD1      TYR  74  -0.348  14.277  -4.569
  540    HD2  TYR  74           HD2      TYR  74   3.297  12.222  -5.604
  541    HE1  TYR  74           HE1      TYR  74   0.970  16.268  -3.873
  542    HE2  TYR  74           HE2      TYR  74   4.619  14.211  -4.913
  543    HH   TYR  74           HH       TYR  74   3.071  17.193  -3.640
  544    H    ARG  75           H        ARG  75   1.922   9.252  -4.982
  545    HA   ARG  75           HA       ARG  75   3.910   9.969  -2.970
  546    HB2  ARG  75           HB2      ARG  75   3.916   7.915  -1.696
  547    HB3  ARG  75           HB3      ARG  75   2.296   8.595  -1.628
  548    HG2  ARG  75           HG2      ARG  75   1.631   7.015  -3.496
  549    HG3  ARG  75           HG3      ARG  75   3.236   6.274  -3.375
  550    HD2  ARG  75           HD2      ARG  75   2.769   5.699  -0.998
  551    HD3  ARG  75           HD3      ARG  75   1.126   6.350  -1.194
  552    HE   ARG  75           HE       ARG  75   1.754   4.413  -3.261
  553   HH11  ARG  75          HH11      ARG  75   0.756   4.439   0.155
  554   HH12  ARG  75          HH12      ARG  75   0.057   2.853   0.010
  555   HH21  ARG  75          HH21      ARG  75   0.899   2.551  -3.380
  556   HH22  ARG  75          HH22      ARG  75   0.148   1.735  -2.006
  557    H    VAL  76           H        VAL  76   5.912   8.726  -3.187
  558    HA   VAL  76           HA       VAL  76   6.389   7.655  -5.921
  559    HB   VAL  76           HB       VAL  76   8.258   8.051  -3.556
  560   HG11  VAL  76          HG11      VAL  76   9.105   6.133  -4.822
  561   HG12  VAL  76          HG12      VAL  76   8.900   7.013  -6.353
  562   HG13  VAL  76          HG13      VAL  76  10.104   7.541  -5.154
  563   HG21  VAL  76          HG21      VAL  76   7.531  10.144  -4.721
  564   HG22  VAL  76          HG22      VAL  76   9.256   9.810  -4.925
  565   HG23  VAL  76          HG23      VAL  76   8.132   9.468  -6.256
  566    H    ASN  77           H        ASN  77   6.630   5.502  -6.377
  567    HA   ASN  77           HA       ASN  77   7.055   3.515  -4.262
  568    HB2  ASN  77           HB2      ASN  77   4.597   3.841  -4.240
  569    HB3  ASN  77           HB3      ASN  77   4.530   3.439  -5.954
  570   HD21  ASN  77          HD22      ASN  77   2.932   1.958  -4.610
  571   HD22  ASN  77          HD21      ASN  77   3.575   0.348  -4.247
  572    H    ASN  78           H        ASN  78   9.032   3.266  -5.358
  573    HA   ASN  78           HA       ASN  78   9.129   2.501  -8.167
  574    HB2  ASN  78           HB2      ASN  78  11.260   2.699  -6.008
  575    HB3  ASN  78           HB3      ASN  78  11.596   2.266  -7.682
  576   HD21  ASN  78          HD22      ASN  78  12.840   4.492  -6.568
  577   HD22  ASN  78          HD21      ASN  78  12.215   5.920  -7.384
  578    H    SER  79           H        SER  79   7.464   0.697  -7.486
  579    HA   SER  79           HA       SER  79   8.310  -1.651  -6.136
  580    HB2  SER  79           HB2      SER  79   6.277  -2.635  -7.240
  581    HB3  SER  79           HB3      SER  79   5.981  -1.101  -6.396
  582    HG   SER  79           HG       SER  79   5.013  -1.151  -8.514
  583    H    LEU  80           H        LEU  80   8.555  -0.779  -9.575
  584    HA   LEU  80           HA       LEU  80   9.001  -3.381 -10.572
  585    HB2  LEU  80           HB2      LEU  80  10.019  -0.808 -11.821
  586    HB3  LEU  80           HB3      LEU  80   9.630  -2.343 -12.625
  587    HG   LEU  80           HG       LEU  80   7.599  -0.481 -11.301
  588   HD11  LEU  80          HD11      LEU  80   8.600   0.495 -13.320
  589   HD12  LEU  80          HD12      LEU  80   8.222  -0.979 -14.234
  590   HD13  LEU  80          HD13      LEU  80   6.911   0.043 -13.595
  591   HD21  LEU  80          HD21      LEU  80   5.915  -1.911 -12.434
  592   HD22  LEU  80          HD22      LEU  80   7.201  -3.015 -12.957
  593   HD23  LEU  80          HD23      LEU  80   6.839  -2.811 -11.224
  594    H    ASP  81           H        ASP  81  11.161  -1.512  -8.748
  595    HA   ASP  81           HA       ASP  81  13.738  -2.398  -9.575
  596    HB2  ASP  81           HB2      ASP  81  13.145  -0.725  -7.767
  597    HB3  ASP  81           HB3      ASP  81  12.633  -2.091  -6.753
  598    H    HIS  82           H        HIS  82  11.168  -3.990  -7.753
  599    HA   HIS  82           HA       HIS  82  12.692  -6.406  -7.061
  600    HB2  HIS  82           HB2      HIS  82  10.945  -5.389  -5.648
  601    HB3  HIS  82           HB3      HIS  82   9.755  -5.606  -6.928
  602    HD1  HIS  82           HD1      HIS  82   8.771  -8.065  -7.314
  603    HD2  HIS  82           HD2      HIS  82  11.604  -7.638  -4.219
  604    HE1  HIS  82           HE1      HIS  82   8.639 -10.199  -5.917
  605    H    GLU  83           H        GLU  83  11.023  -5.284  -9.871
  606    HA   GLU  83           HA       GLU  83  10.161  -7.975 -10.754
  607    HB2  GLU  83           HB2      GLU  83   9.603  -5.215 -11.923
  608    HB3  GLU  83           HB3      GLU  83   8.944  -6.748 -12.506
  609    HG2  GLU  83           HG2      GLU  83   8.418  -5.452  -9.798
  610    HG3  GLU  83           HG3      GLU  83   7.288  -5.617 -11.138
  611    H    TYR  84           H        TYR  84  12.181  -5.266 -11.875
  612    HA   TYR  84           HA       TYR  84  13.695  -7.158 -13.634
  613    HB2  TYR  84           HB2      TYR  84  13.151  -4.290 -14.412
  614    HB3  TYR  84           HB3      TYR  84  13.701  -5.616 -15.425
  615    HD1  TYR  84           HD2      TYR  84  12.007  -7.529 -15.934
  616    HD2  TYR  84           HD1      TYR  84  10.865  -3.780 -14.144
  617    HE1  TYR  84           HE2      TYR  84   9.622  -7.973 -16.506
  618    HE2  TYR  84           HE1      TYR  84   8.500  -4.226 -14.679
  619    HH   TYR  84           HH       TYR  84   6.987  -5.694 -15.623
  620    H    GLN  85           H        GLN  85  15.886  -6.783 -13.923
  621    HA   GLN  85           HA       GLN  85  17.336  -5.546 -11.786
  622    HB2  GLN  85           HB2      GLN  85  18.164  -6.704 -14.476
  623    HB3  GLN  85           HB3      GLN  85  19.340  -6.080 -13.333
  624    HG2  GLN  85           HG2      GLN  85  17.348  -8.304 -12.734
  625    HG3  GLN  85           HG3      GLN  85  19.032  -8.553 -13.183
  626   HE21  GLN  85          HE22      GLN  85  17.495  -9.252 -10.616
  627   HE22  GLN  85          HE21      GLN  85  18.473  -8.512  -9.357
  628    HA   PRO  86           HA       PRO  86  17.824  -1.381 -12.762
  629    HB2  PRO  86           HB2      PRO  86  20.835  -1.680 -12.863
  630    HB3  PRO  86           HB3      PRO  86  19.856  -0.442 -12.008
  631    HG2  PRO  86           HG2      PRO  86  20.830  -2.550 -10.632
  632    HG3  PRO  86           HG3      PRO  86  19.126  -2.048 -10.380
  633    HD2  PRO  86           HD2      PRO  86  20.188  -4.301 -12.086
  634    HD3  PRO  86           HD3      PRO  86  18.811  -4.282 -10.946
  635    H    ARG  87           H        ARG  87  18.129   0.261 -14.236
  636    HA   ARG  87           HA       ARG  87  19.638  -0.111 -16.693
  637    HB2  ARG  87           HB2      ARG  87  17.580   0.718 -18.083
  638    HB3  ARG  87           HB3      ARG  87  17.800  -0.978 -17.741
  639    HG2  ARG  87           HG2      ARG  87  16.112   0.577 -15.798
  640    HG3  ARG  87           HG3      ARG  87  15.450   0.353 -17.415
  641    HD2  ARG  87           HD2      ARG  87  16.596  -1.991 -15.911
  642    HD3  ARG  87           HD3      ARG  87  14.961  -1.454 -15.548
  643    HE   ARG  87           HE       ARG  87  14.581  -1.695 -18.105
  644   HH11  ARG  87          HH11      ARG  87  16.480  -3.952 -16.126
  645   HH12  ARG  87          HH12      ARG  87  16.307  -5.248 -17.280
  646   HH21  ARG  87          HH21      ARG  87  14.317  -3.482 -19.521
  647   HH22  ARG  87          HH22      ARG  87  15.048  -4.995 -19.108
  648    HA   PRO  88           HA       PRO  88  20.675   3.977 -16.076
  649    HB2  PRO  88           HB2      PRO  88  20.522   4.791 -18.927
  650    HB3  PRO  88           HB3      PRO  88  21.952   4.580 -17.890
  651    HG2  PRO  88           HG2      PRO  88  21.330   2.825 -19.905
  652    HG3  PRO  88           HG3      PRO  88  22.080   2.286 -18.365
  653    HD2  PRO  88           HD2      PRO  88  19.136   2.236 -19.123
  654    HD3  PRO  88           HD3      PRO  88  20.144   0.935 -18.433
  655    H    VAL  89           H        VAL  89  19.574   5.656 -15.181
  656    HA   VAL  89           HA       VAL  89  16.871   6.105 -15.663
  657    HB   VAL  89           HB       VAL  89  18.088   6.729 -13.609
  658   HG11  VAL  89          HG11      VAL  89  20.000   7.983 -14.613
  659   HG12  VAL  89          HG12      VAL  89  18.884   9.309 -15.023
  660   HG13  VAL  89          HG13      VAL  89  19.171   8.877 -13.330
  661   HG21  VAL  89          HG21      VAL  89  15.770   7.472 -14.037
  662   HG22  VAL  89          HG22      VAL  89  16.681   8.617 -13.034
  663   HG23  VAL  89          HG23      VAL  89  16.375   8.985 -14.738
  664    H    GLU  90           H        GLU  90  19.561   7.840 -17.200
  665    HA   GLU  90           HA       GLU  90  18.049   9.819 -18.526
  666    HB2  GLU  90           HB2      GLU  90  19.906  10.012 -20.063
  667    HB3  GLU  90           HB3      GLU  90  20.468   9.844 -18.398
  668    HG2  GLU  90           HG2      GLU  90  20.966   7.410 -18.871
  669    HG3  GLU  90           HG3      GLU  90  20.528   7.693 -20.557
  670    H    VAL  91           H        VAL  91  18.577   6.418 -19.414
  671    HA   VAL  91           HA       VAL  91  17.268   6.635 -21.984
  672    HB   VAL  91           HB       VAL  91  17.883   4.152 -20.351
  673   HG11  VAL  91          HG11      VAL  91  16.963   4.422 -23.249
  674   HG12  VAL  91          HG12      VAL  91  17.596   2.933 -22.509
  675   HG13  VAL  91          HG13      VAL  91  16.083   3.625 -21.927
  676   HG21  VAL  91          HG21      VAL  91  19.740   3.856 -21.956
  677   HG22  VAL  91          HG22      VAL  91  19.311   5.383 -22.755
  678   HG23  VAL  91          HG23      VAL  91  19.920   5.385 -21.088
  679    H    ILE  92           H        ILE  92  16.182   5.691 -18.680
  680    HA   ILE  92           HA       ILE  92  13.483   4.978 -19.409
  681    HB   ILE  92           HB       ILE  92  14.450   6.237 -16.800
  682   HG12  ILE  92          HG12      ILE  92  14.306   3.276 -17.536
  683   HG13  ILE  92          HG13      ILE  92  15.788   4.210 -17.409
  684   HG21  ILE  92          HG21      ILE  92  11.965   6.206 -17.103
  685   HG22  ILE  92          HG22      ILE  92  12.038   4.454 -17.370
  686   HG23  ILE  92          HG23      ILE  92  12.481   5.154 -15.799
  687   HD11  ILE  92          HD11      ILE  92  13.917   3.562 -15.117
  688   HD12  ILE  92          HD12      ILE  92  15.572   2.988 -15.388
  689   HD13  ILE  92          HD13      ILE  92  15.282   4.696 -15.008
  690    H    ILE  93           H        ILE  93  14.843   8.143 -18.427
  691    HA   ILE  93           HA       ILE  93  12.404   9.599 -18.866
  692    HB   ILE  93           HB       ILE  93  15.319  10.406 -18.584
  693   HG12  ILE  93          HG12      ILE  93  12.897  10.847 -16.758
  694   HG13  ILE  93          HG13      ILE  93  13.970   9.453 -16.604
  695   HG21  ILE  93          HG21      ILE  93  14.506  12.778 -18.329
  696   HG22  ILE  93          HG22      ILE  93  14.294  12.160 -19.955
  697   HG23  ILE  93          HG23      ILE  93  12.891  12.254 -18.862
  698   HD11  ILE  93          HD11      ILE  93  14.775  12.347 -16.165
  699   HD12  ILE  93          HD12      ILE  93  14.545  11.089 -14.938
  700   HD13  ILE  93          HD13      ILE  93  15.870  10.947 -16.115
  701    H    SER  94           H        SER  94  15.154   8.901 -21.040
  702    HA   SER  94           HA       SER  94  14.194  10.443 -23.230
  703    HB2  SER  94           HB2      SER  94  16.482   9.469 -23.036
  704    HB3  SER  94           HB3      SER  94  15.792   7.862 -23.336
  705    HG   SER  94           HG       SER  94  16.624   8.895 -25.269
  706    H    SER  95           H        SER  95  13.576   7.014 -22.399
  707    HA   SER  95           HA       SER  95  11.750   6.400 -24.486
  708    HB2  SER  95           HB2      SER  95  12.064   5.415 -21.637
  709    HB3  SER  95           HB3      SER  95  10.875   4.716 -22.752
  710    HG   SER  95           HG       SER  95  12.575   4.041 -24.111
  711    H    ALA  96           H        ALA  96  11.098   7.847 -21.212
  712    HA   ALA  96           HA       ALA  96   8.292   8.098 -21.504
  713    HB1  ALA  96           HB1      ALA  96   8.539   9.605 -19.619
  714    HB2  ALA  96           HB2      ALA  96   9.774   8.358 -19.433
  715    HB3  ALA  96           HB3      ALA  96  10.230   9.959 -20.041
  716    H    LYS  97           H        LYS  97  10.889  10.483 -22.295
  717    HA   LYS  97           HA       LYS  97   9.178  12.473 -23.387
  718    HB2  LYS  97           HB2      LYS  97  12.109  11.769 -23.773
  719    HB3  LYS  97           HB3      LYS  97  11.370  13.168 -24.553
  720    HG2  LYS  97           HG2      LYS  97  10.808  14.193 -22.443
  721    HG3  LYS  97           HG3      LYS  97  11.309  12.752 -21.530
  722    HD2  LYS  97           HD2      LYS  97  13.609  13.009 -22.251
  723    HD3  LYS  97           HD3      LYS  97  13.175  14.355 -23.330
  724    HE2  LYS  97           HE2      LYS  97  12.396  15.665 -21.326
  725    HE3  LYS  97           HE3      LYS  97  12.964  14.363 -20.274
  726    HZ1  LYS  97           HZ1      LYS  97  15.235  14.770 -21.154
  727    HZ2  LYS  97           HZ2      LYS  97  14.678  15.973 -22.108
  728    HZ3  LYS  97           HZ3      LYS  97  14.629  16.133 -20.484
  729    H    GLU  98           H        GLU  98  10.806   9.757 -25.016
  730    HA   GLU  98           HA       GLU  98   9.897  10.411 -27.637
  731    HB2  GLU  98           HB2      GLU  98  10.884   7.838 -26.383
  732    HB3  GLU  98           HB3      GLU  98  10.364   7.908 -28.062
  733    HG2  GLU  98           HG2      GLU  98  12.551   9.694 -26.918
  734    HG3  GLU  98           HG3      GLU  98  12.840   8.155 -27.724
  735    H    MET  99           H        MET  99   8.370   8.456 -25.059
  736    HA   MET  99           HA       MET  99   6.175   7.738 -26.776
  737    HB2  MET  99           HB2      MET  99   6.631   7.354 -23.818
  738    HB3  MET  99           HB3      MET  99   5.139   6.877 -24.660
  739    HG2  MET  99           HG2      MET  99   6.466   5.545 -26.291
  740    HG3  MET  99           HG3      MET  99   7.946   6.009 -25.467
  741    HE1  MET  99           HE1      MET  99   4.841   3.030 -23.772
  742    HE2  MET  99           HE2      MET  99   4.464   4.753 -23.953
  743    HE3  MET  99           HE3      MET  99   4.740   3.746 -25.397
  744    H    VAL 100           H        VAL 100   6.575  10.401 -24.432
  745    HA   VAL 100           HA       VAL 100   4.003  11.507 -24.538
  746    HB   VAL 100           HB       VAL 100   6.627  13.012 -24.699
  747   HG11  VAL 100          HG11      VAL 100   5.352  15.006 -23.899
  748   HG12  VAL 100          HG12      VAL 100   4.871  14.548 -25.531
  749   HG13  VAL 100          HG13      VAL 100   3.833  14.130 -24.152
  750   HG21  VAL 100          HG21      VAL 100   6.120  11.657 -22.622
  751   HG22  VAL 100          HG22      VAL 100   6.308  13.390 -22.350
  752   HG23  VAL 100          HG23      VAL 100   4.685  12.665 -22.380
  753    H    GLY 101           H        GLY 101   2.660  12.278 -25.937
  754    HA2  GLY 101           HA2      GLY 101   1.911  13.377 -27.897
  755    HA3  GLY 101           HA3      GLY 101   3.466  13.044 -28.703
  756    H    GLN 102           H        GLN 102   3.024  10.094 -27.497
  757    HA   GLN 102           HA       GLN 102   1.541   9.115 -29.797
  758    HB2  GLN 102           HB2      GLN 102   3.026   7.568 -27.643
  759    HB3  GLN 102           HB3      GLN 102   2.336   6.914 -29.122
  760    HG2  GLN 102           HG2      GLN 102   3.874   8.428 -30.457
  761    HG3  GLN 102           HG3      GLN 102   4.645   8.908 -28.949
  762   HE21  GLN 102          HE22      GLN 102   6.718   7.941 -29.046
  763   HE22  GLN 102          HE21      GLN 102   6.936   6.237 -29.428
  764    H    LYS 103           H        LYS 103   0.013   7.296 -29.457
  765    HA   LYS 103           HA       LYS 103  -1.826   7.775 -27.149
  766    HB2  LYS 103           HB2      LYS 103  -2.464   7.511 -30.117
  767    HB3  LYS 103           HB3      LYS 103  -3.688   7.414 -28.844
  768    HG2  LYS 103           HG2      LYS 103  -3.158   9.679 -28.079
  769    HG3  LYS 103           HG3      LYS 103  -1.884   9.827 -29.308
  770    HD2  LYS 103           HD2      LYS 103  -3.564   9.558 -31.103
  771    HD3  LYS 103           HD3      LYS 103  -4.852   9.413 -29.875
  772    HE2  LYS 103           HE2      LYS 103  -4.299  11.670 -29.015
  773    HE3  LYS 103           HE3      LYS 103  -2.984  11.816 -30.186
  774    HZ1  LYS 103           HZ1      LYS 103  -4.977  12.952 -30.959
  775    HZ2  LYS 103           HZ2      LYS 103  -4.637  11.717 -31.974
  776    HZ3  LYS 103           HZ3      LYS 103  -5.865  11.581 -30.898
  777    H    MET 104           H        MET 104  -3.295   6.095 -26.631
  778    HA   MET 104           HA       MET 104  -2.638   3.308 -27.537
  779    HB2  MET 104           HB2      MET 104  -2.963   4.260 -24.645
  780    HB3  MET 104           HB3      MET 104  -2.828   2.575 -25.161
  781    HG2  MET 104           HG2      MET 104  -0.572   3.076 -26.118
  782    HG3  MET 104           HG3      MET 104  -0.686   4.722 -25.492
  783    HE1  MET 104           HE1      MET 104   2.053   2.884 -23.361
  784    HE2  MET 104           HE2      MET 104   1.664   2.762 -25.086
  785    HE3  MET 104           HE3      MET 104   1.700   4.359 -24.294
  786    H    LYS 105           H        LYS 105  -4.463   2.026 -27.820
  787    HA   LYS 105           HA       LYS 105  -7.094   3.190 -27.809
  788    HB2  LYS 105           HB2      LYS 105  -6.186   0.285 -27.858
  789    HB3  LYS 105           HB3      LYS 105  -7.856   0.820 -28.099
  790    HG2  LYS 105           HG2      LYS 105  -7.119   2.214 -30.043
  791    HG3  LYS 105           HG3      LYS 105  -5.483   1.561 -29.874
  792    HD2  LYS 105           HD2      LYS 105  -8.001  -0.071 -30.439
  793    HD3  LYS 105           HD3      LYS 105  -6.818   0.445 -31.644
  794    HE2  LYS 105           HE2      LYS 105  -5.037  -0.842 -30.447
  795    HE3  LYS 105           HE3      LYS 105  -6.239  -1.401 -29.280
  796    HZ1  LYS 105           HZ1      LYS 105  -6.290  -1.972 -32.199
  797    HZ2  LYS 105           HZ2      LYS 105  -5.886  -3.041 -31.032
  798    HZ3  LYS 105           HZ3      LYS 105  -7.419  -2.489 -31.130
  799    H    TYR 106           H        TYR 106  -8.701   3.286 -26.292
  800    HA   TYR 106           HA       TYR 106  -7.733   3.120 -23.569
  801    HB2  TYR 106           HB2      TYR 106  -9.131   4.992 -24.500
  802    HB3  TYR 106           HB3      TYR 106 -10.503   3.885 -24.562
  803    HD1  TYR 106           HD2      TYR 106  -7.870   4.855 -22.009
  804    HD2  TYR 106           HD1      TYR 106 -12.054   4.238 -22.870
  805    HE1  TYR 106           HE2      TYR 106  -8.437   5.376 -19.643
  806    HE2  TYR 106           HE1      TYR 106 -12.621   4.829 -20.525
  807    HH   TYR 106           HH       TYR 106 -10.122   5.602 -18.073
  808    H    SER 107           H        SER 107  -8.728   2.171 -21.766
  809    HA   SER 107           HA       SER 107 -10.764   0.073 -22.104
  810    HB2  SER 107           HB2      SER 107  -8.589  -1.157 -22.147
  811    HB3  SER 107           HB3      SER 107  -8.155  -0.400 -20.597
  812    HG   SER 107           HG       SER 107  -9.166  -2.544 -20.406
  813    H    ILE 108           H        ILE 108 -12.128   0.106 -20.263
  814    HA   ILE 108           HA       ILE 108 -12.110   2.657 -18.908
  815    HB   ILE 108           HB       ILE 108 -14.307   2.179 -18.205
  816   HG12  ILE 108          HG12      ILE 108 -14.314  -0.104 -17.461
  817   HG13  ILE 108          HG13      ILE 108 -15.567   0.161 -18.652
  818   HG21  ILE 108          HG21      ILE 108 -13.914   2.900 -20.518
  819   HG22  ILE 108          HG22      ILE 108 -13.930   1.229 -21.073
  820   HG23  ILE 108          HG23      ILE 108 -15.391   1.938 -20.364
  821   HD11  ILE 108          HD11      ILE 108 -14.577  -2.014 -18.974
  822   HD12  ILE 108          HD12      ILE 108 -14.147  -1.005 -20.365
  823   HD13  ILE 108          HD13      ILE 108 -12.951  -1.337 -19.076
  824    H    VAL 109           H        VAL 109  -9.949   1.275 -18.041
  825    HA   VAL 109           HA       VAL 109 -10.242   1.502 -15.132
  826    HB   VAL 109           HB       VAL 109  -8.849  -0.494 -14.654
  827   HG11  VAL 109          HG11      VAL 109 -11.509  -1.229 -15.928
  828   HG12  VAL 109          HG12      VAL 109 -10.629  -2.131 -14.684
  829   HG13  VAL 109          HG13      VAL 109 -11.296  -0.536 -14.301
  830   HG21  VAL 109          HG21      VAL 109  -8.747  -2.378 -16.240
  831   HG22  VAL 109          HG22      VAL 109  -9.460  -1.369 -17.512
  832   HG23  VAL 109          HG23      VAL 109  -7.856  -0.978 -16.844
  833    H    SER 110           H        SER 110  -8.399   2.323 -14.156
  834    HA   SER 110           HA       SER 110  -6.593   3.718 -15.938
  835    HB2  SER 110           HB2      SER 110  -5.828   4.732 -13.778
  836    HB3  SER 110           HB3      SER 110  -7.574   4.839 -14.057
  837    HG   SER 110           HG       SER 110  -6.313   3.778 -11.997
  838    H    ARG 111           H        ARG 111  -6.269   0.602 -14.625
  839    HA   ARG 111           HA       ARG 111  -3.543   0.486 -13.910
  840    HB2  ARG 111           HB2      ARG 111  -5.425  -1.304 -13.742
  841    HB3  ARG 111           HB3      ARG 111  -4.938  -1.769 -15.381
  842    HG2  ARG 111           HG2      ARG 111  -2.558  -2.066 -14.467
  843    HG3  ARG 111           HG3      ARG 111  -3.201  -1.685 -12.864
  844    HD2  ARG 111           HD2      ARG 111  -3.085  -4.063 -12.998
  845    HD3  ARG 111           HD3      ARG 111  -4.800  -3.641 -13.128
  846    HE   ARG 111           HE       ARG 111  -3.306  -3.893 -15.668
  847   HH11  ARG 111          HH11      ARG 111  -5.358  -5.729 -13.427
  848   HH12  ARG 111          HH12      ARG 111  -5.714  -6.929 -14.633
  849   HH21  ARG 111          HH21      ARG 111  -3.775  -5.413 -17.109
  850   HH22  ARG 111          HH22      ARG 111  -4.826  -6.753 -16.722
  851    H    ASN 112           H        ASN 112  -4.923   0.866 -17.105
  852    HA   ASN 112           HA       ASN 112  -2.722   0.160 -18.746
  853    HB2  ASN 112           HB2      ASN 112  -3.664   1.621 -20.391
  854    HB3  ASN 112           HB3      ASN 112  -4.964   0.757 -19.586
  855   HD21  ASN 112          HD22      ASN 112  -5.421   3.096 -21.124
  856   HD22  ASN 112          HD21      ASN 112  -5.940   4.356 -20.010
  857    H    CYS 113           H        CYS 113  -3.089   3.009 -16.624
  858    HA   CYS 113           HA       CYS 113  -0.758   4.412 -17.631
  859    HB2  CYS 113           HB2      CYS 113  -2.215   4.575 -14.956
  860    HB3  CYS 113           HB3      CYS 113  -1.010   5.740 -15.562
  861    HG   CYS 113           HG       CYS 113  -3.930   4.867 -16.949
  862    H    GLU 114           H        GLU 114  -1.197   1.929 -15.076
  863    HA   GLU 114           HA       GLU 114   1.519   1.939 -14.117
  864    HB2  GLU 114           HB2      GLU 114  -0.450   0.773 -12.986
  865    HB3  GLU 114           HB3      GLU 114  -0.359  -0.459 -14.237
  866    HG2  GLU 114           HG2      GLU 114   2.032  -0.892 -13.582
  867    HG3  GLU 114           HG3      GLU 114   1.869   0.307 -12.301
  868    H    HIS 115           H        HIS 115  -0.150  -0.156 -16.568
  869    HA   HIS 115           HA       HIS 115   2.191  -1.466 -17.499
  870    HB2  HIS 115           HB2      HIS 115  -0.295  -0.682 -19.101
  871    HB3  HIS 115           HB3      HIS 115   0.860  -1.944 -19.528
  872    HD1  HIS 115           HD1      HIS 115   1.014  -3.552 -16.771
  873    HD2  HIS 115           HD2      HIS 115  -2.448  -2.112 -18.683
  874    HE1  HIS 115           HE1      HIS 115  -0.906  -4.983 -15.948
  875    H    PHE 116           H        PHE 116   0.860   1.703 -18.572
  876    HA   PHE 116           HA       PHE 116   2.829   2.249 -20.546
  877    HB2  PHE 116           HB2      PHE 116   0.931   3.635 -20.510
  878    HB3  PHE 116           HB3      PHE 116   1.070   3.970 -18.793
  879    HD1  PHE 116           HD1      PHE 116   2.939   4.469 -21.997
  880    HD2  PHE 116           HD2      PHE 116   2.113   5.956 -18.035
  881    HE1  PHE 116           HE1      PHE 116   4.376   6.440 -22.433
  882    HE2  PHE 116           HE2      PHE 116   3.603   7.903 -18.466
  883    HZ   PHE 116           HZ       PHE 116   4.737   8.126 -20.669
  884    H    VAL 117           H        VAL 117   2.880   3.379 -17.061
  885    HA   VAL 117           HA       VAL 117   5.540   4.392 -17.464
  886    HB   VAL 117           HB       VAL 117   5.819   4.694 -15.122
  887   HG11  VAL 117          HG11      VAL 117   4.533   6.361 -16.376
  888   HG12  VAL 117          HG12      VAL 117   3.019   5.531 -15.931
  889   HG13  VAL 117          HG13      VAL 117   4.044   6.256 -14.687
  890   HG21  VAL 117          HG21      VAL 117   4.183   4.086 -13.444
  891   HG22  VAL 117          HG22      VAL 117   3.167   3.291 -14.665
  892   HG23  VAL 117          HG23      VAL 117   4.758   2.628 -14.242
  893    H    THR 118           H        THR 118   4.477   1.172 -16.619
  894    HA   THR 118           HA       THR 118   6.982   0.042 -15.814
  895    HB   THR 118           HB       THR 118   4.690  -1.238 -17.177
  896    HG1  THR 118           HG1      THR 118   4.044  -0.426 -15.238
  897   HG21  THR 118          HG21      THR 118   5.524  -3.337 -16.111
  898   HG22  THR 118          HG22      THR 118   6.633  -2.719 -17.343
  899   HG23  THR 118          HG23      THR 118   6.997  -2.468 -15.621
  900    H    GLN 119           H        GLN 119   5.489   0.283 -19.042
  901    HA   GLN 119           HA       GLN 119   7.594  -1.011 -20.440
  902    HB2  GLN 119           HB2      GLN 119   5.456   0.984 -21.264
  903    HB3  GLN 119           HB3      GLN 119   6.633   0.367 -22.427
  904    HG2  GLN 119           HG2      GLN 119   5.928  -1.911 -22.129
  905    HG3  GLN 119           HG3      GLN 119   4.931  -1.506 -20.735
  906   HE21  GLN 119          HE22      GLN 119   2.979  -0.206 -21.077
  907   HE22  GLN 119          HE21      GLN 119   2.195  -0.240 -22.665
  908    H    LEU 120           H        LEU 120   7.410   2.344 -19.310
  909    HA   LEU 120           HA       LEU 120   9.518   3.399 -20.932
  910    HB2  LEU 120           HB2      LEU 120   8.818   4.216 -18.074
  911    HB3  LEU 120           HB3      LEU 120   9.644   5.195 -19.283
  912    HG   LEU 120           HG       LEU 120   6.739   4.299 -19.368
  913   HD11  LEU 120          HD11      LEU 120   7.944   7.053 -19.026
  914   HD12  LEU 120          HD12      LEU 120   6.219   6.645 -19.044
  915   HD13  LEU 120          HD13      LEU 120   7.246   6.041 -17.734
  916   HD21  LEU 120          HD21      LEU 120   6.582   5.829 -21.371
  917   HD22  LEU 120          HD22      LEU 120   8.365   5.856 -21.403
  918   HD23  LEU 120          HD23      LEU 120   7.484   4.335 -21.628
  919    H    ARG 121           H        ARG 121   9.686   1.589 -17.886
  920    HA   ARG 121           HA       ARG 121  12.667   1.788 -17.881
  921    HB2  ARG 121           HB2      ARG 121  11.468   2.225 -15.792
  922    HB3  ARG 121           HB3      ARG 121  10.748   0.609 -15.834
  923    HG2  ARG 121           HG2      ARG 121  12.954  -0.426 -15.597
  924    HG3  ARG 121           HG3      ARG 121  13.764   1.140 -15.752
  925    HD2  ARG 121           HD2      ARG 121  12.841   1.897 -13.634
  926    HD3  ARG 121           HD3      ARG 121  11.805   0.489 -13.493
  927    HE   ARG 121           HE       ARG 121  14.669   0.695 -12.905
  928   HH11  ARG 121          HH11      ARG 121  12.108  -1.676 -13.537
  929   HH12  ARG 121          HH12      ARG 121  12.810  -2.826 -12.433
  930   HH21  ARG 121          HH21      ARG 121  15.593  -0.964 -11.656
  931   HH22  ARG 121          HH22      ARG 121  14.878  -2.555 -11.699
  932    H    TYR 122           H        TYR 122  10.090  -0.725 -18.107
  933    HA   TYR 122           HA       TYR 122  11.874  -2.946 -18.312
  934    HB2  TYR 122           HB2      TYR 122   9.538  -3.195 -17.750
  935    HB3  TYR 122           HB3      TYR 122   9.033  -2.481 -19.273
  936    HD1  TYR 122           HD2      TYR 122  11.218  -5.328 -18.088
  937    HD2  TYR 122           HD1      TYR 122   8.273  -3.951 -20.926
  938    HE1  TYR 122           HE2      TYR 122  11.158  -7.586 -19.118
  939    HE2  TYR 122           HE1      TYR 122   8.205  -6.214 -21.952
  940    HH   TYR 122           HH       TYR 122  10.224  -8.930 -20.747
  941    H    GLY 123           H        GLY 123  10.398  -0.938 -20.881
  942    HA2  GLY 123           HA2      GLY 123  11.721  -2.419 -23.062
  943    HA3  GLY 123           HA3      GLY 123  10.503  -1.126 -23.193
  944    H    LYS 124           H        LYS 124  13.443  -0.762 -21.253
  945    HA   LYS 124           HA       LYS 124  14.301   1.631 -22.443
  946    HB2  LYS 124           HB2      LYS 124  16.321   1.337 -21.142
  947    HB3  LYS 124           HB3      LYS 124  14.939   0.792 -20.218
  948    HG2  LYS 124           HG2      LYS 124  16.357  -0.924 -19.741
  949    HG3  LYS 124           HG3      LYS 124  15.636  -1.618 -21.187
  950    HD2  LYS 124           HD2      LYS 124  17.599  -0.703 -22.501
  951    HD3  LYS 124           HD3      LYS 124  18.307  -0.140 -20.984
  952    HE2  LYS 124           HE2      LYS 124  18.387  -2.481 -20.153
  953    HE3  LYS 124           HE3      LYS 124  17.573  -3.043 -21.619
  954    HZ1  LYS 124           HZ1      LYS 124  19.970  -3.354 -21.800
  955    HZ2  LYS 124           HZ2      LYS 124  19.491  -2.256 -22.911
  956    HZ3  LYS 124           HZ3      LYS 124  20.261  -1.762 -21.557
  957    H    SER 125           H        SER 125  15.989   2.202 -23.851
  958    HA   SER 125           HA       SER 125  16.142   0.850 -26.304
  959    HB2  SER 125           HB2      SER 125  18.072   2.929 -25.210
  960    HB3  SER 125           HB3      SER 125  17.835   2.489 -26.910
  961    HG   SER 125           HG       SER 125  16.553   4.329 -26.397
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  15.146  18.647  11.803
    2    H2   MET   1           H2       MET   1  14.446  19.858  10.952
    3    H3   MET   1           H3       MET   1  14.414  19.879  12.587
    4    HA   MET   1           HA       MET   1  13.023  17.894  12.649
    5    HB2  MET   1           HB2      MET   1  11.905  20.164  10.921
    6    HB3  MET   1           HB3      MET   1  10.946  18.809  11.508
    7    HG2  MET   1           HG2      MET   1  10.520  20.571  12.977
    8    HG3  MET   1           HG3      MET   1  11.513  19.415  13.856
    9    HE1  MET   1           HE1      MET   1  11.847  21.226  15.764
   10    HE2  MET   1           HE2      MET   1  12.413  22.887  15.455
   11    HE3  MET   1           HE3      MET   1  10.834  22.361  14.835
   12    H    ALA   2           H        ALA   2  11.753  16.297  11.499
   13    HA   ALA   2           HA       ALA   2  13.077  15.264   9.113
   14    HB1  ALA   2           HB1      ALA   2  10.605  14.318  10.635
   15    HB2  ALA   2           HB2      ALA   2  11.492  13.391   9.409
   16    HB3  ALA   2           HB3      ALA   2  12.282  13.803  10.942
   17    H    SER   3           H        SER   3  11.984  14.680   7.126
   18    HA   SER   3           HA       SER   3  10.534  16.847   5.957
   19    HB2  SER   3           HB2      SER   3  10.980  14.029   4.902
   20    HB3  SER   3           HB3      SER   3  10.475  15.429   3.945
   21    HG   SER   3           HG       SER   3  12.771  15.049   3.826
   22    HA   PRO   4           HA       PRO   4   6.323  15.608   6.780
   23    HB2  PRO   4           HB2      PRO   4   4.927  16.999   4.902
   24    HB3  PRO   4           HB3      PRO   4   5.784  17.787   6.257
   25    HG2  PRO   4           HG2      PRO   4   6.774  17.403   3.409
   26    HG3  PRO   4           HG3      PRO   4   6.769  18.906   4.383
   27    HD2  PRO   4           HD2      PRO   4   8.976  17.326   4.183
   28    HD3  PRO   4           HD3      PRO   4   8.571  18.156   5.714
   29    H    HIS   5           H        HIS   5   7.700  14.934   3.583
   30    HA   HIS   5           HA       HIS   5   6.318  12.400   3.393
   31    HB2  HIS   5           HB2      HIS   5   5.199  12.840   1.242
   32    HB3  HIS   5           HB3      HIS   5   4.558  13.865   2.500
   33    HD1  HIS   5           HD1      HIS   5   6.809  14.154  -0.649
   34    HD2  HIS   5           HD2      HIS   5   4.705  16.479   2.166
   35    HE1  HIS   5           HE1      HIS   5   6.792  16.533  -1.553
   36    H    GLN   6           H        GLN   6   6.991  11.357   1.133
   37    HA   GLN   6           HA       GLN   6   9.894  11.544   0.850
   38    HB2  GLN   6           HB2      GLN   6   7.761  10.093  -0.786
   39    HB3  GLN   6           HB3      GLN   6   9.499   9.973  -1.076
   40    HG2  GLN   6           HG2      GLN   6   9.838   9.029   1.194
   41    HG3  GLN   6           HG3      GLN   6   8.101   9.120   1.496
   42   HE21  GLN   6          HE22      GLN   6   6.689   7.531   0.452
   43   HE22  GLN   6          HE21      GLN   6   7.376   6.182  -0.438
   44    H    GLU   7           H        GLU   7  11.076  12.668  -0.671
   45    HA   GLU   7           HA       GLU   7   9.649  14.417  -2.591
   46    HB2  GLU   7           HB2      GLU   7  11.416  15.410  -1.212
   47    HB3  GLU   7           HB3      GLU   7  12.586  14.252  -1.853
   48    HG2  GLU   7           HG2      GLU   7  12.132  15.205  -4.162
   49    HG3  GLU   7           HG3      GLU   7  11.106  16.423  -3.400
   50    HA   PRO   8           HA       PRO   8  10.670  11.275  -5.702
   51    HB2  PRO   8           HB2      PRO   8   9.676  12.437  -7.930
   52    HB3  PRO   8           HB3      PRO   8   8.618  11.830  -6.620
   53    HG2  PRO   8           HG2      PRO   8   9.556  14.676  -7.081
   54    HG3  PRO   8           HG3      PRO   8   7.891  14.097  -6.759
   55    HD2  PRO   8           HD2      PRO   8   9.536  15.078  -4.782
   56    HD3  PRO   8           HD3      PRO   8   8.335  13.790  -4.471
   57    H    LYS   9           H        LYS   9  12.334  10.855  -7.009
   58    HA   LYS   9           HA       LYS   9  14.134  13.050  -7.945
   59    HB2  LYS   9           HB2      LYS   9  14.703  10.259  -6.844
   60    HB3  LYS   9           HB3      LYS   9  15.910  11.132  -7.752
   61    HG2  LYS   9           HG2      LYS   9  14.676  12.036  -5.123
   62    HG3  LYS   9           HG3      LYS   9  16.292  11.368  -5.381
   63    HD2  LYS   9           HD2      LYS   9  16.654  13.365  -7.010
   64    HD3  LYS   9           HD3      LYS   9  15.232  14.088  -6.258
   65    HE2  LYS   9           HE2      LYS   9  17.772  13.182  -4.809
   66    HE3  LYS   9           HE3      LYS   9  17.410  14.845  -5.276
   67    HZ1  LYS   9           HZ1      LYS   9  15.522  14.843  -3.754
   68    HZ2  LYS   9           HZ2      LYS   9  15.778  13.266  -3.356
   69    HZ3  LYS   9           HZ3      LYS   9  16.869  14.409  -2.949
   70    HA   PRO  10           HA       PRO  10  13.837  12.006 -12.161
   71    HB2  PRO  10           HB2      PRO  10  16.700  11.018 -12.098
   72    HB3  PRO  10           HB3      PRO  10  15.889  12.026 -13.338
   73    HG2  PRO  10           HG2      PRO  10  17.430  13.203 -11.462
   74    HG3  PRO  10           HG3      PRO  10  15.838  13.918 -11.863
   75    HD2  PRO  10           HD2      PRO  10  16.602  12.196  -9.518
   76    HD3  PRO  10           HD3      PRO  10  15.553  13.640  -9.560
   77    H    GLY  11           H        GLY  11  12.746  10.352 -13.055
   78    HA2  GLY  11           HA2      GLY  11  12.401   8.224 -13.930
   79    HA3  GLY  11           HA3      GLY  11  13.754   7.581 -12.968
   80    H    ASP  12           H        ASP  12  11.958   9.188 -10.679
   81    HA   ASP  12           HA       ASP  12  10.886   6.755  -9.656
   82    HB2  ASP  12           HB2      ASP  12  10.616   9.641  -8.809
   83    HB3  ASP  12           HB3      ASP  12   9.601   8.413  -8.095
   84    H    LEU  13           H        LEU  13   8.932   5.932  -9.415
   85    HA   LEU  13           HA       LEU  13   6.856   6.797 -11.347
   86    HB2  LEU  13           HB2      LEU  13   6.990   4.322  -9.555
   87    HB3  LEU  13           HB3      LEU  13   5.783   4.655 -10.793
   88    HG   LEU  13           HG       LEU  13   8.741   4.057 -11.212
   89   HD11  LEU  13          HD11      LEU  13   6.202   2.665 -12.165
   90   HD12  LEU  13          HD12      LEU  13   7.874   2.167 -12.503
   91   HD13  LEU  13          HD13      LEU  13   7.254   2.121 -10.837
   92   HD21  LEU  13          HD21      LEU  13   8.356   5.740 -12.824
   93   HD22  LEU  13          HD22      LEU  13   8.074   4.236 -13.717
   94   HD23  LEU  13          HD23      LEU  13   6.696   5.211 -13.118
   95    H    ILE  14           H        ILE  14   5.280   8.039 -10.760
   96    HA   ILE  14           HA       ILE  14   4.763   8.564  -7.847
   97    HB   ILE  14           HB       ILE  14   3.630  10.051 -10.250
   98   HG12  ILE  14          HG12      ILE  14   5.994  10.398 -10.447
   99   HG13  ILE  14          HG13      ILE  14   5.242  11.862  -9.846
  100   HG21  ILE  14          HG21      ILE  14   3.161  11.813  -8.558
  101   HG22  ILE  14          HG22      ILE  14   2.362  10.291  -8.159
  102   HG23  ILE  14          HG23      ILE  14   3.824  10.761  -7.285
  103   HD11  ILE  14          HD11      ILE  14   7.356  11.461  -8.696
  104   HD12  ILE  14          HD12      ILE  14   6.037  11.321  -7.532
  105   HD13  ILE  14          HD13      ILE  14   6.827   9.857  -8.177
  106    H    GLU  15           H        GLU  15   3.013   7.663  -6.964
  107    HA   GLU  15           HA       GLU  15   0.901   6.425  -8.686
  108    HB2  GLU  15           HB2      GLU  15   2.191   4.859  -7.345
  109    HB3  GLU  15           HB3      GLU  15   1.902   5.794  -5.875
  110    HG2  GLU  15           HG2      GLU  15  -0.428   5.218  -5.857
  111    HG3  GLU  15           HG3      GLU  15  -0.359   4.577  -7.503
  112    H    ILE  16           H        ILE  16  -0.978   7.480  -8.651
  113    HA   ILE  16           HA       ILE  16  -1.450   9.608  -6.581
  114    HB   ILE  16           HB       ILE  16  -2.231   9.617  -9.524
  115   HG12  ILE  16          HG12      ILE  16   0.030  11.141  -8.150
  116   HG13  ILE  16          HG13      ILE  16   0.243   9.786  -9.255
  117   HG21  ILE  16          HG21      ILE  16  -3.759  10.888  -8.063
  118   HG22  ILE  16          HG22      ILE  16  -2.395  11.732  -7.320
  119   HG23  ILE  16          HG23      ILE  16  -2.814  12.010  -9.026
  120   HD11  ILE  16          HD11      ILE  16  -0.819  11.083 -11.088
  121   HD12  ILE  16          HD12      ILE  16  -0.859  12.505 -10.020
  122   HD13  ILE  16          HD13      ILE  16   0.688  11.775 -10.473
  123    H    PHE  17           H        PHE  17  -3.154   9.263  -5.376
  124    HA   PHE  17           HA       PHE  17  -5.111   7.168  -6.038
  125    HB2  PHE  17           HB2      PHE  17  -4.726   8.806  -3.512
  126    HB3  PHE  17           HB3      PHE  17  -5.754   7.388  -3.691
  127    HD1  PHE  17           HD2      PHE  17  -4.504   5.197  -4.614
  128    HD2  PHE  17           HD1      PHE  17  -2.568   8.500  -2.619
  129    HE1  PHE  17           HE2      PHE  17  -2.596   3.727  -4.018
  130    HE2  PHE  17           HE1      PHE  17  -0.671   7.018  -2.015
  131    HZ   PHE  17           HZ       PHE  17  -0.690   4.628  -2.714
  132    H    ARG  18           H        ARG  18  -5.572   8.881  -7.868
  133    HA   ARG  18           HA       ARG  18  -7.404  11.026  -7.344
  134    HB2  ARG  18           HB2      ARG  18  -6.128  10.737  -9.444
  135    HB3  ARG  18           HB3      ARG  18  -7.049   9.283  -9.825
  136    HG2  ARG  18           HG2      ARG  18  -9.128  10.634  -9.979
  137    HG3  ARG  18           HG3      ARG  18  -8.212  12.092  -9.553
  138    HD2  ARG  18           HD2      ARG  18  -6.841  11.763 -11.633
  139    HD3  ARG  18           HD3      ARG  18  -7.843  10.339 -12.005
  140    HE   ARG  18           HE       ARG  18  -9.182  12.956 -11.561
  141   HH11  ARG  18          HH11      ARG  18  -8.170  10.597 -14.027
  142   HH12  ARG  18          HH12      ARG  18  -9.387  11.150 -15.144
  143   HH21  ARG  18          HH21      ARG  18 -10.649  13.647 -13.085
  144   HH22  ARG  18          HH22      ARG  18 -10.722  12.893 -14.645
  145    H    LEU  19           H        LEU  19  -9.668  11.098  -7.563
  146    HA   LEU  19           HA       LEU  19 -11.140   9.012  -6.291
  147    HB2  LEU  19           HB2      LEU  19 -11.934  11.555  -7.762
  148    HB3  LEU  19           HB3      LEU  19 -13.139  10.418  -7.183
  149    HG   LEU  19           HG       LEU  19 -12.352  10.658  -4.862
  150   HD11  LEU  19          HD11      LEU  19 -10.888  12.596  -4.254
  151   HD12  LEU  19          HD12      LEU  19 -10.017  11.320  -5.094
  152   HD13  LEU  19          HD13      LEU  19 -10.480  12.801  -5.970
  153   HD21  LEU  19          HD21      LEU  19 -14.196  12.032  -5.745
  154   HD22  LEU  19          HD22      LEU  19 -13.275  12.916  -4.520
  155   HD23  LEU  19          HD23      LEU  19 -13.040  13.291  -6.242
  156    H    GLY  20           H        GLY  20 -12.715   7.596  -7.052
  157    HA2  GLY  20           HA2      GLY  20 -13.813   6.181  -8.547
  158    HA3  GLY  20           HA3      GLY  20 -13.141   7.095  -9.915
  159    H    TYR  21           H        TYR  21 -10.597   6.910  -9.943
  160    HA   TYR  21           HA       TYR  21  -9.563   4.257  -9.298
  161    HB2  TYR  21           HB2      TYR  21  -9.687   5.290 -12.162
  162    HB3  TYR  21           HB3      TYR  21  -8.747   3.908 -11.633
  163    HD1  TYR  21           HD1      TYR  21  -9.916   1.848 -10.731
  164    HD2  TYR  21           HD2      TYR  21 -12.033   5.060 -12.681
  165    HE1  TYR  21           HE1      TYR  21 -11.855   0.334 -11.111
  166    HE2  TYR  21           HE2      TYR  21 -13.975   3.557 -13.060
  167    HH   TYR  21           HH       TYR  21 -14.848   1.432 -12.774
  168    H    GLU  22           H        GLU  22  -7.405   4.215  -9.006
  169    HA   GLU  22           HA       GLU  22  -5.929   6.687  -8.746
  170    HB2  GLU  22           HB2      GLU  22  -4.037   5.209  -8.138
  171    HB3  GLU  22           HB3      GLU  22  -5.471   4.981  -7.155
  172    HG2  GLU  22           HG2      GLU  22  -4.985   3.163  -9.527
  173    HG3  GLU  22           HG3      GLU  22  -4.078   2.932  -8.036
  174    H    HIS  23           H        HIS  23  -3.798   7.039  -9.693
  175    HA   HIS  23           HA       HIS  23  -3.523   6.244 -12.571
  176    HB2  HIS  23           HB2      HIS  23  -3.657   9.042 -11.390
  177    HB3  HIS  23           HB3      HIS  23  -2.921   8.704 -12.947
  178    HD1  HIS  23           HD1      HIS  23  -6.076   6.696 -12.457
  179    HD2  HIS  23           HD2      HIS  23  -4.812  10.425 -13.899
  180    HE1  HIS  23           HE1      HIS  23  -8.010   7.613 -13.838
  181    H    TRP  24           H        TRP  24  -1.306   6.810 -13.422
  182    HA   TRP  24           HA       TRP  24   0.814   7.010 -11.348
  183    HB2  TRP  24           HB2      TRP  24   0.676   4.831 -13.468
  184    HB3  TRP  24           HB3      TRP  24   2.067   5.185 -12.455
  185    HD1  TRP  24           HD1      TRP  24   2.109   4.319 -10.018
  186    HE1  TRP  24           HE1      TRP  24   0.672   2.659  -8.665
  187    HE3  TRP  24           HE3      TRP  24  -1.939   4.010 -13.135
  188    HZ2  TRP  24           HZ2      TRP  24  -1.812   1.247  -9.003
  189    HZ3  TRP  24           HZ3      TRP  24  -3.841   2.511 -12.589
  190    HH2  TRP  24           HH2      TRP  24  -3.777   1.119 -10.537
  191    H    ALA  25           H        ALA  25   2.770   7.857 -12.027
  192    HA   ALA  25           HA       ALA  25   3.065   8.747 -14.868
  193    HB1  ALA  25           HB1      ALA  25   3.172  10.663 -12.489
  194    HB2  ALA  25           HB2      ALA  25   3.380  11.060 -14.213
  195    HB3  ALA  25           HB3      ALA  25   1.803  10.522 -13.611
  196    H    LEU  26           H        LEU  26   5.159   9.325 -15.501
  197    HA   LEU  26           HA       LEU  26   7.407   8.294 -13.831
  198    HB2  LEU  26           HB2      LEU  26   6.974   7.452 -16.170
  199    HB3  LEU  26           HB3      LEU  26   7.217   9.066 -16.800
  200    HG   LEU  26           HG       LEU  26   9.089   7.540 -17.193
  201   HD11  LEU  26          HD11      LEU  26  10.018   9.772 -15.363
  202   HD12  LEU  26          HD12      LEU  26  10.908   8.989 -16.675
  203   HD13  LEU  26          HD13      LEU  26   9.482   9.972 -17.055
  204   HD21  LEU  26          HD21      LEU  26   8.971   6.181 -15.146
  205   HD22  LEU  26          HD22      LEU  26  10.598   6.841 -15.380
  206   HD23  LEU  26          HD23      LEU  26   9.530   7.566 -14.169
  207    H    TYR  27           H        TYR  27   8.371   9.835 -12.556
  208    HA   TYR  27           HA       TYR  27   8.113  12.694 -13.185
  209    HB2  TYR  27           HB2      TYR  27   7.823  11.855 -10.923
  210    HB3  TYR  27           HB3      TYR  27   9.461  11.215 -10.905
  211    HD1  TYR  27           HD2      TYR  27   7.422  14.344 -10.984
  212    HD2  TYR  27           HD1      TYR  27  11.323  12.640 -10.389
  213    HE1  TYR  27           HE2      TYR  27   8.220  16.513 -10.070
  214    HE2  TYR  27           HE1      TYR  27  12.114  14.788  -9.408
  215    HH   TYR  27           HH       TYR  27  11.571  16.967  -8.870
  216    H    ILE  28           H        ILE  28   9.575  14.006 -14.099
  217    HA   ILE  28           HA       ILE  28  12.127  12.682 -15.002
  218    HB   ILE  28           HB       ILE  28  12.077  13.991 -16.974
  219   HG12  ILE  28          HG12      ILE  28   9.473  15.260 -16.049
  220   HG13  ILE  28          HG13      ILE  28  11.041  16.084 -16.083
  221   HG21  ILE  28          HG21      ILE  28  10.277  12.882 -18.075
  222   HG22  ILE  28          HG22      ILE  28  10.766  11.847 -16.752
  223   HG23  ILE  28          HG23      ILE  28   9.284  12.814 -16.606
  224   HD11  ILE  28          HD11      ILE  28   9.456  15.010 -18.447
  225   HD12  ILE  28          HD12      ILE  28   9.866  16.695 -18.077
  226   HD13  ILE  28          HD13      ILE  28  11.144  15.559 -18.572
  227    H    GLY  29           H        GLY  29  11.589  14.583 -12.537
  228    HA2  GLY  29           HA2      GLY  29  13.426  15.258 -11.209
  229    HA3  GLY  29           HA3      GLY  29  14.394  15.530 -12.664
  230    H    ASP  30           H        ASP  30  12.540  17.267 -14.000
  231    HA   ASP  30           HA       ASP  30  13.388  19.726 -12.721
  232    HB2  ASP  30           HB2      ASP  30  13.593  19.107 -15.154
  233    HB3  ASP  30           HB3      ASP  30  11.849  19.340 -15.309
  234    H    GLY  31           H        GLY  31  11.009  18.180 -11.553
  235    HA2  GLY  31           HA2      GLY  31   9.074  18.817 -10.371
  236    HA3  GLY  31           HA3      GLY  31   9.070  20.391 -11.199
  237    H    TYR  32           H        TYR  32   9.497  18.288 -13.632
  238    HA   TYR  32           HA       TYR  32   6.634  18.219 -14.347
  239    HB2  TYR  32           HB2      TYR  32   9.231  18.032 -15.881
  240    HB3  TYR  32           HB3      TYR  32   7.749  17.430 -16.597
  241    HD1  TYR  32           HD2      TYR  32   9.445  20.501 -15.360
  242    HD2  TYR  32           HD1      TYR  32   5.977  18.873 -17.337
  243    HE1  TYR  32           HE2      TYR  32   8.786  22.784 -16.071
  244    HE2  TYR  32           HE1      TYR  32   5.301  21.162 -18.040
  245    HH   TYR  32           HH       TYR  32   7.226  24.077 -17.209
  246    H    VAL  33           H        VAL  33   5.616  16.443 -15.254
  247    HA   VAL  33           HA       VAL  33   6.811  13.743 -14.767
  248    HB   VAL  33           HB       VAL  33   4.472  12.925 -14.392
  249   HG11  VAL  33          HG11      VAL  33   4.423  13.422 -12.007
  250   HG12  VAL  33          HG12      VAL  33   6.072  13.097 -12.559
  251   HG13  VAL  33          HG13      VAL  33   5.561  14.773 -12.253
  252   HG21  VAL  33          HG21      VAL  33   3.226  14.974 -15.172
  253   HG22  VAL  33          HG22      VAL  33   2.724  14.371 -13.583
  254   HG23  VAL  33          HG23      VAL  33   3.764  15.802 -13.694
  255    H    ILE  34           H        ILE  34   6.280  12.187 -16.221
  256    HA   ILE  34           HA       ILE  34   4.741  13.011 -18.663
  257    HB   ILE  34           HB       ILE  34   7.166  11.216 -18.335
  258   HG12  ILE  34          HG12      ILE  34   6.448  13.574 -20.137
  259   HG13  ILE  34          HG13      ILE  34   7.470  13.643 -18.706
  260   HG21  ILE  34          HG21      ILE  34   6.716  10.564 -20.782
  261   HG22  ILE  34          HG22      ILE  34   5.570   9.896 -19.636
  262   HG23  ILE  34          HG23      ILE  34   5.118  11.307 -20.623
  263   HD11  ILE  34          HD11      ILE  34   9.103  12.100 -19.842
  264   HD12  ILE  34          HD12      ILE  34   8.124  12.247 -21.319
  265   HD13  ILE  34          HD13      ILE  34   8.897  13.675 -20.622
  266    H    HIS  35           H        HIS  35   2.951  11.815 -19.179
  267    HA   HIS  35           HA       HIS  35   2.203   9.463 -17.536
  268    HB2  HIS  35           HB2      HIS  35   0.221  10.722 -16.612
  269    HB3  HIS  35           HB3      HIS  35   1.766  11.297 -16.012
  270    HD1  HIS  35           HD1      HIS  35  -1.297  12.628 -17.693
  271    HD2  HIS  35           HD2      HIS  35   2.741  13.666 -17.176
  272    HE1  HIS  35           HE1      HIS  35  -1.090  15.098 -18.290
  273    H    LEU  36           H        LEU  36  -0.016   8.666 -18.140
  274    HA   LEU  36           HA       LEU  36  -0.584   9.148 -21.029
  275    HB2  LEU  36           HB2      LEU  36   0.108   6.859 -20.349
  276    HB3  LEU  36           HB3      LEU  36  -1.189   6.813 -19.161
  277    HG   LEU  36           HG       LEU  36  -2.848   7.006 -21.067
  278   HD11  LEU  36          HD11      LEU  36  -0.391   6.411 -22.788
  279   HD12  LEU  36          HD12      LEU  36  -2.073   6.457 -23.347
  280   HD13  LEU  36          HD13      LEU  36  -1.289   7.941 -22.796
  281   HD21  LEU  36          HD21      LEU  36  -2.599   4.644 -21.742
  282   HD22  LEU  36          HD22      LEU  36  -0.942   4.629 -21.107
  283   HD23  LEU  36          HD23      LEU  36  -2.312   4.859 -20.000
  284    H    ALA  37           H        ALA  37  -2.490  10.070 -21.583
  285    HA   ALA  37           HA       ALA  37  -4.055  11.317 -19.573
  286    HB1  ALA  37           HB1      ALA  37  -5.253  12.325 -21.465
  287    HB2  ALA  37           HB2      ALA  37  -3.514  12.273 -21.809
  288    HB3  ALA  37           HB3      ALA  37  -4.605  11.098 -22.568
  289    HA   PRO  38           HA       PRO  38  -7.126   8.460 -18.601
  290    HB2  PRO  38           HB2      PRO  38  -9.206  10.641 -18.610
  291    HB3  PRO  38           HB3      PRO  38  -8.804   9.467 -17.318
  292    HG2  PRO  38           HG2      PRO  38  -7.916  12.021 -17.170
  293    HG3  PRO  38           HG3      PRO  38  -6.802  10.672 -16.769
  294    HD2  PRO  38           HD2      PRO  38  -7.043  12.192 -19.384
  295    HD3  PRO  38           HD3      PRO  38  -5.592  11.804 -18.419
  296    HA   PRO  39           HA       PRO  39 -10.739   9.092 -21.890
  297    HB2  PRO  39           HB2      PRO  39  -8.911   8.934 -24.278
  298    HB3  PRO  39           HB3      PRO  39 -10.546   9.658 -24.163
  299    HG2  PRO  39           HG2      PRO  39  -8.357  11.240 -24.014
  300    HG3  PRO  39           HG3      PRO  39  -9.725  11.498 -22.883
  301    HD2  PRO  39           HD2      PRO  39  -7.098  10.124 -22.381
  302    HD3  PRO  39           HD3      PRO  39  -8.041  11.219 -21.312
  303    H    SER  40           H        SER  40 -11.882   7.311 -22.458
  304    HA   SER  40           HA       SER  40 -10.775   4.779 -23.320
  305    HB2  SER  40           HB2      SER  40 -11.219   3.602 -21.162
  306    HB3  SER  40           HB3      SER  40  -9.860   4.725 -21.077
  307    HG   SER  40           HG       SER  40 -11.156   6.186 -19.961
  308    H    GLU  41           H        GLU  41 -12.416   2.998 -23.145
  309    HA   GLU  41           HA       GLU  41 -14.418   2.081 -23.549
  310    HB2  GLU  41           HB2      GLU  41 -15.698   4.395 -22.047
  311    HB3  GLU  41           HB3      GLU  41 -16.402   2.821 -22.417
  312    HG2  GLU  41           HG2      GLU  41 -14.602   1.720 -21.064
  313    HG3  GLU  41           HG3      GLU  41 -14.042   3.322 -20.566
  314    H    TYR  42           H        TYR  42 -16.992   3.438 -24.133
  315    HA   TYR  42           HA       TYR  42 -16.470   3.972 -26.966
  316    HB2  TYR  42           HB2      TYR  42 -18.219   2.393 -26.078
  317    HB3  TYR  42           HB3      TYR  42 -19.099   3.780 -25.454
  318    HD1  TYR  42           HD1      TYR  42 -17.746   2.221 -28.587
  319    HD2  TYR  42           HD2      TYR  42 -20.611   4.963 -26.887
  320    HE1  TYR  42           HE1      TYR  42 -18.859   2.432 -30.799
  321    HE2  TYR  42           HE2      TYR  42 -21.731   5.170 -29.092
  322    HH   TYR  42           HH       TYR  42 -21.765   4.487 -31.303
  323    HA   PRO  43           HA       PRO  43 -16.839   8.429 -26.389
  324    HB2  PRO  43           HB2      PRO  43 -17.000   9.290 -28.964
  325    HB3  PRO  43           HB3      PRO  43 -15.518   8.544 -28.310
  326    HG2  PRO  43           HG2      PRO  43 -17.734   7.186 -29.883
  327    HG3  PRO  43           HG3      PRO  43 -15.968   7.141 -30.197
  328    HD2  PRO  43           HD2      PRO  43 -17.212   5.170 -28.827
  329    HD3  PRO  43           HD3      PRO  43 -15.576   5.722 -28.355
  330    H    GLY  44           H        GLY  44 -18.302  10.314 -27.182
  331    HA2  GLY  44           HA2      GLY  44 -20.332  11.212 -27.870
  332    HA3  GLY  44           HA3      GLY  44 -20.947   9.569 -28.183
  333    H    ALA  45           H        ALA  45 -19.694  10.080 -25.000
  334    HA   ALA  45           HA       ALA  45 -22.223   9.534 -23.774
  335    HB1  ALA  45           HB1      ALA  45 -20.944   9.759 -21.684
  336    HB2  ALA  45           HB2      ALA  45 -20.024   8.824 -22.872
  337    HB3  ALA  45           HB3      ALA  45 -19.604  10.528 -22.560
  338    H    GLY  46           H        GLY  46 -20.885  12.582 -24.735
  339    HA2  GLY  46           HA2      GLY  46 -22.325  14.274 -22.835
  340    HA3  GLY  46           HA3      GLY  46 -21.490  14.802 -24.309
  341    H    SER  47           H        SER  47 -23.804  16.021 -23.663
  342    HA   SER  47           HA       SER  47 -26.231  14.806 -24.516
  343    HB2  SER  47           HB2      SER  47 -27.089  17.147 -24.502
  344    HB3  SER  47           HB3      SER  47 -26.247  16.668 -23.025
  345    HG   SER  47           HG       SER  47 -25.604  18.782 -23.752
  346    H    SER  48           H        SER  48 -23.795  16.482 -26.475
  347    HA   SER  48           HA       SER  48 -25.404  16.694 -28.869
  348    HB2  SER  48           HB2      SER  48 -22.384  16.538 -28.584
  349    HB3  SER  48           HB3      SER  48 -23.289  17.126 -29.989
  350    HG   SER  48           HG       SER  48 -22.547  18.863 -28.645
  351    H    SER  49           H        SER  49 -24.084  13.941 -27.355
  352    HA   SER  49           HA       SER  49 -24.037  11.753 -27.835
  353    HB2  SER  49           HB2      SER  49 -26.270  12.262 -28.826
  354    HB3  SER  49           HB3      SER  49 -25.503  12.314 -30.424
  355    HG   SER  49           HG       SER  49 -26.418  10.202 -29.734
  356    H    VAL  50           H        VAL  50 -23.665  10.198 -29.997
  357    HA   VAL  50           HA       VAL  50 -20.824  10.265 -30.253
  358    HB   VAL  50           HB       VAL  50 -22.356   8.256 -30.274
  359   HG11  VAL  50          HG11      VAL  50 -23.188   7.381 -32.382
  360   HG12  VAL  50          HG12      VAL  50 -23.886   8.985 -32.094
  361   HG13  VAL  50          HG13      VAL  50 -22.568   8.780 -33.269
  362   HG21  VAL  50          HG21      VAL  50 -20.851   6.862 -31.566
  363   HG22  VAL  50          HG22      VAL  50 -20.189   8.269 -32.405
  364   HG23  VAL  50          HG23      VAL  50 -19.934   8.073 -30.656
  365    H    PHE  51           H        PHE  51 -23.194  11.820 -32.261
  366    HA   PHE  51           HA       PHE  51 -21.855  11.935 -34.742
  367    HB2  PHE  51           HB2      PHE  51 -23.573  14.091 -33.458
  368    HB3  PHE  51           HB3      PHE  51 -23.278  13.862 -35.176
  369    HD1  PHE  51           HD1      PHE  51 -23.874  11.359 -36.059
  370    HD2  PHE  51           HD2      PHE  51 -25.627  13.297 -32.630
  371    HE1  PHE  51           HE1      PHE  51 -25.837   9.841 -36.202
  372    HE2  PHE  51           HE2      PHE  51 -27.583  11.776 -32.770
  373    HZ   PHE  51           HZ       PHE  51 -27.691  10.045 -34.553
  374    H    SER  52           H        SER  52 -21.184  13.761 -31.763
  375    HA   SER  52           HA       SER  52 -19.344  15.630 -33.057
  376    HB2  SER  52           HB2      SER  52 -19.768  14.914 -30.132
  377    HB3  SER  52           HB3      SER  52 -18.820  16.285 -30.730
  378    HG   SER  52           HG       SER  52 -20.724  17.194 -31.590
  379    H    VAL  53           H        VAL  53 -18.960  12.342 -32.014
  380    HA   VAL  53           HA       VAL  53 -16.117  12.303 -32.564
  381    HB   VAL  53           HB       VAL  53 -15.712  11.115 -30.225
  382   HG11  VAL  53          HG11      VAL  53 -14.532  13.002 -29.418
  383   HG12  VAL  53          HG12      VAL  53 -14.402  12.986 -31.183
  384   HG13  VAL  53          HG13      VAL  53 -15.506  14.128 -30.370
  385   HG21  VAL  53          HG21      VAL  53 -17.632  13.298 -29.325
  386   HG22  VAL  53          HG22      VAL  53 -18.015  11.567 -29.329
  387   HG23  VAL  53          HG23      VAL  53 -16.703  12.184 -28.310
  388    H    LEU  54           H        LEU  54 -16.104  10.624 -33.830
  389    HA   LEU  54           HA       LEU  54 -17.837   8.275 -33.361
  390    HB2  LEU  54           HB2      LEU  54 -15.793   8.897 -35.531
  391    HB3  LEU  54           HB3      LEU  54 -16.883   7.518 -35.531
  392    HG   LEU  54           HG       LEU  54 -17.752  10.440 -35.686
  393   HD11  LEU  54          HD11      LEU  54 -16.616   9.633 -37.722
  394   HD12  LEU  54          HD12      LEU  54 -17.725   8.242 -37.799
  395   HD13  LEU  54          HD13      LEU  54 -18.345   9.893 -38.009
  396   HD21  LEU  54          HD21      LEU  54 -19.405   7.875 -35.859
  397   HD22  LEU  54          HD22      LEU  54 -19.500   9.106 -34.578
  398   HD23  LEU  54          HD23      LEU  54 -19.997   9.514 -36.221
  399    H    SER  55           H        SER  55 -14.577   9.137 -32.611
  400    HA   SER  55           HA       SER  55 -14.043   6.432 -31.502
  401    HB2  SER  55           HB2      SER  55 -12.161   7.941 -33.363
  402    HB3  SER  55           HB3      SER  55 -11.715   6.526 -32.397
  403    HG   SER  55           HG       SER  55 -12.287   5.985 -34.592
  404    H    ASN  56           H        ASN  56 -12.150   6.445 -30.011
  405    HA   ASN  56           HA       ASN  56 -11.018   8.988 -29.188
  406    HB2  ASN  56           HB2      ASN  56 -11.620   8.780 -26.794
  407    HB3  ASN  56           HB3      ASN  56 -12.966   9.168 -27.849
  408   HD21  ASN  56          HD22      ASN  56 -11.872   5.714 -27.579
  409   HD22  ASN  56          HD21      ASN  56 -13.263   5.268 -26.593
  410    H    SER  57           H        SER  57  -9.174   8.801 -27.781
  411    HA   SER  57           HA       SER  57  -8.038   6.115 -27.231
  412    HB2  SER  57           HB2      SER  57  -6.722   8.164 -29.056
  413    HB3  SER  57           HB3      SER  57  -5.932   6.720 -28.412
  414    HG   SER  57           HG       SER  57  -6.791   6.521 -30.607
  415    H    ALA  58           H        ALA  58  -6.236   6.195 -25.778
  416    HA   ALA  58           HA       ALA  58  -5.992   8.578 -24.040
  417    HB1  ALA  58           HB1      ALA  58  -4.464   7.093 -22.794
  418    HB2  ALA  58           HB2      ALA  58  -6.020   6.300 -23.087
  419    HB3  ALA  58           HB3      ALA  58  -4.603   5.855 -24.060
  420    H    GLU  59           H        GLU  59  -3.870   9.617 -23.760
  421    HA   GLU  59           HA       GLU  59  -1.999   9.492 -26.088
  422    HB2  GLU  59           HB2      GLU  59  -3.605  11.215 -26.635
  423    HB3  GLU  59           HB3      GLU  59  -3.491  11.922 -25.019
  424    HG2  GLU  59           HG2      GLU  59  -1.253  12.691 -25.401
  425    HG3  GLU  59           HG3      GLU  59  -1.114  11.766 -26.907
  426    H    VAL  60           H        VAL  60   0.138   9.711 -25.460
  427    HA   VAL  60           HA       VAL  60   0.715  10.020 -22.581
  428    HB   VAL  60           HB       VAL  60   2.634   9.798 -24.898
  429   HG11  VAL  60          HG11      VAL  60   3.085   9.384 -21.907
  430   HG12  VAL  60          HG12      VAL  60   4.312   9.146 -23.179
  431   HG13  VAL  60          HG13      VAL  60   3.686  10.753 -22.837
  432   HG21  VAL  60          HG21      VAL  60   2.917   7.423 -24.238
  433   HG22  VAL  60          HG22      VAL  60   1.655   7.615 -23.005
  434   HG23  VAL  60          HG23      VAL  60   1.255   7.739 -24.733
  435    H    LYS  61           H        LYS  61   1.317  11.859 -21.603
  436    HA   LYS  61           HA       LYS  61   1.990  14.308 -23.199
  437    HB2  LYS  61           HB2      LYS  61   0.026  14.138 -20.875
  438    HB3  LYS  61           HB3      LYS  61   0.455  15.600 -21.782
  439    HG2  LYS  61           HG2      LYS  61  -0.441  14.360 -23.870
  440    HG3  LYS  61           HG3      LYS  61  -1.150  13.202 -22.734
  441    HD2  LYS  61           HD2      LYS  61  -1.755  16.160 -23.024
  442    HD3  LYS  61           HD3      LYS  61  -2.841  14.790 -23.322
  443    HE2  LYS  61           HE2      LYS  61  -2.873  14.244 -20.926
  444    HE3  LYS  61           HE3      LYS  61  -1.701  15.525 -20.585
  445    HZ1  LYS  61           HZ1      LYS  61  -3.940  16.294 -20.115
  446    HZ2  LYS  61           HZ2      LYS  61  -3.329  17.166 -21.336
  447    HZ3  LYS  61           HZ3      LYS  61  -4.442  16.002 -21.648
  448    H    ARG  62           H        ARG  62   2.937  16.045 -21.952
  449    HA   ARG  62           HA       ARG  62   4.385  15.251 -19.449
  450    HB2  ARG  62           HB2      ARG  62   5.898  15.518 -21.398
  451    HB3  ARG  62           HB3      ARG  62   5.268  17.144 -21.674
  452    HG2  ARG  62           HG2      ARG  62   6.137  17.853 -19.442
  453    HG3  ARG  62           HG3      ARG  62   6.754  16.213 -19.172
  454    HD2  ARG  62           HD2      ARG  62   8.592  17.639 -19.895
  455    HD3  ARG  62           HD3      ARG  62   8.243  16.478 -21.166
  456    HE   ARG  62           HE       ARG  62   7.500  18.170 -22.570
  457   HH11  ARG  62          HH21      ARG  62   8.131  19.667 -19.399
  458   HH12  ARG  62          HH22      ARG  62   8.016  21.265 -20.057
  459   HH21  ARG  62          HH11      ARG  62   7.352  20.266 -23.311
  460   HH22  ARG  62          HH12      ARG  62   7.586  21.599 -22.226
  461    H    GLU  63           H        GLU  63   3.642  16.385 -17.698
  462    HA   GLU  63           HA       GLU  63   3.056  19.279 -17.944
  463    HB2  GLU  63           HB2      GLU  63   1.059  17.274 -16.834
  464    HB3  GLU  63           HB3      GLU  63   0.978  19.010 -16.560
  465    HG2  GLU  63           HG2      GLU  63   0.845  19.346 -19.051
  466    HG3  GLU  63           HG3      GLU  63   0.726  17.589 -19.230
  467    H    ARG  64           H        ARG  64   2.648  20.174 -15.602
  468    HA   ARG  64           HA       ARG  64   4.994  19.438 -14.040
  469    HB2  ARG  64           HB2      ARG  64   2.777  21.428 -13.510
  470    HB3  ARG  64           HB3      ARG  64   4.242  21.253 -12.534
  471    HG2  ARG  64           HG2      ARG  64   5.623  21.827 -14.534
  472    HG3  ARG  64           HG3      ARG  64   4.139  22.042 -15.476
  473    HD2  ARG  64           HD2      ARG  64   4.839  24.211 -14.837
  474    HD3  ARG  64           HD3      ARG  64   3.431  23.844 -13.854
  475    HE   ARG  64           HE       ARG  64   6.286  23.973 -13.001
  476   HH11  ARG  64          HH11      ARG  64   2.878  23.661 -11.841
  477   HH12  ARG  64          HH12      ARG  64   3.449  23.929 -10.193
  478   HH21  ARG  64          HH21      ARG  64   6.733  24.321 -10.794
  479   HH22  ARG  64          HH22      ARG  64   5.393  24.241  -9.655
  480    H    LEU  65           H        LEU  65   5.097  18.471 -12.002
  481    HA   LEU  65           HA       LEU  65   3.203  16.488 -11.323
  482    HB2  LEU  65           HB2      LEU  65   5.537  16.423 -10.588
  483    HB3  LEU  65           HB3      LEU  65   5.329  17.877  -9.624
  484    HG   LEU  65           HG       LEU  65   3.802  16.698  -8.085
  485   HD11  LEU  65          HD11      LEU  65   2.792  15.027  -9.622
  486   HD12  LEU  65          HD12      LEU  65   4.361  14.205  -9.756
  487   HD13  LEU  65          HD13      LEU  65   3.502  14.249  -8.206
  488   HD21  LEU  65          HD21      LEU  65   6.248  16.681  -7.669
  489   HD22  LEU  65          HD22      LEU  65   5.458  15.221  -7.049
  490   HD23  LEU  65          HD23      LEU  65   6.385  15.151  -8.562
  491    H    GLU  66           H        GLU  66   3.594  19.707  -9.708
  492    HA   GLU  66           HA       GLU  66   1.507  19.487  -7.866
  493    HB2  GLU  66           HB2      GLU  66   1.963  22.093  -9.355
  494    HB3  GLU  66           HB3      GLU  66   1.456  21.836  -7.686
  495    HG2  GLU  66           HG2      GLU  66   3.765  20.857  -7.263
  496    HG3  GLU  66           HG3      GLU  66   4.174  21.380  -8.914
  497    H    ASP  67           H        ASP  67   1.291  20.820 -11.179
  498    HA   ASP  67           HA       ASP  67  -1.473  21.327 -11.116
  499    HB2  ASP  67           HB2      ASP  67   0.409  20.898 -13.465
  500    HB3  ASP  67           HB3      ASP  67  -1.257  21.436 -13.633
  501    H    VAL  68           H        VAL  68   0.283  18.456 -12.305
  502    HA   VAL  68           HA       VAL  68  -2.012  17.002 -13.184
  503    HB   VAL  68           HB       VAL  68   0.782  16.124 -12.411
  504   HG11  VAL  68          HG11      VAL  68  -1.450  14.350 -13.498
  505   HG12  VAL  68          HG12      VAL  68   0.273  13.921 -13.479
  506   HG13  VAL  68          HG13      VAL  68  -0.581  14.149 -11.953
  507   HG21  VAL  68          HG21      VAL  68   0.980  15.771 -14.854
  508   HG22  VAL  68          HG22      VAL  68  -0.712  16.250 -15.076
  509   HG23  VAL  68          HG23      VAL  68   0.485  17.430 -14.510
  510    H    VAL  69           H        VAL  69  -0.287  16.995 -10.030
  511    HA   VAL  69           HA       VAL  69  -1.948  14.854  -9.045
  512    HB   VAL  69           HB       VAL  69   0.567  15.277  -8.709
  513   HG11  VAL  69          HG11      VAL  69   0.324  17.546  -7.618
  514   HG12  VAL  69          HG12      VAL  69  -0.354  16.732  -6.200
  515   HG13  VAL  69          HG13      VAL  69   1.302  16.377  -6.713
  516   HG21  VAL  69          HG21      VAL  69  -1.019  14.322  -6.320
  517   HG22  VAL  69          HG22      VAL  69  -0.726  13.391  -7.800
  518   HG23  VAL  69          HG23      VAL  69   0.639  13.890  -6.806
  519    H    GLY  70           H        GLY  70  -2.458  18.193  -9.054
  520    HA2  GLY  70           HA2      GLY  70  -3.337  18.829  -6.489
  521    HA3  GLY  70           HA3      GLY  70  -3.932  19.601  -7.962
  522    H    GLY  71           H        GLY  71  -5.105  18.572  -5.289
  523    HA2  GLY  71           HA2      GLY  71  -7.255  18.006  -4.623
  524    HA3  GLY  71           HA3      GLY  71  -7.689  17.658  -6.315
  525    H    CYS  72           H        CYS  72  -4.939  15.897  -5.753
  526    HA   CYS  72           HA       CYS  72  -6.420  13.422  -4.900
  527    HB2  CYS  72           HB2      CYS  72  -4.118  13.682  -6.886
  528    HB3  CYS  72           HB3      CYS  72  -4.978  12.201  -6.446
  529    HG   CYS  72           HG       CYS  72  -6.209  14.947  -7.871
  530    H    CYS  73           H        CYS  73  -5.271  11.951  -3.591
  531    HA   CYS  73           HA       CYS  73  -2.855  12.931  -2.163
  532    HB2  CYS  73           HB2      CYS  73  -4.521  10.378  -1.875
  533    HB3  CYS  73           HB3      CYS  73  -3.128  10.804  -0.868
  534    HG   CYS  73           HG       CYS  73  -5.336  11.278   0.483
  535    H    TYR  74           H        TYR  74  -0.852  11.554  -2.116
  536    HA   TYR  74           HA       TYR  74  -0.473   9.645  -4.282
  537    HB2  TYR  74           HB2      TYR  74   0.955  10.893  -5.698
  538    HB3  TYR  74           HB3      TYR  74  -0.458  11.883  -5.459
  539    HD1  TYR  74           HD2      TYR  74  -0.310  13.854  -3.788
  540    HD2  TYR  74           HD1      TYR  74   3.138  11.679  -5.196
  541    HE1  TYR  74           HE2      TYR  74   1.149  15.756  -3.145
  542    HE2  TYR  74           HE1      TYR  74   4.597  13.586  -4.573
  543    HH   TYR  74           HH       TYR  74   3.313  16.591  -3.081
  544    H    ARG  75           H        ARG  75   1.772   8.945  -4.598
  545    HA   ARG  75           HA       ARG  75   3.807   9.566  -2.604
  546    HB2  ARG  75           HB2      ARG  75   4.002   7.363  -1.602
  547    HB3  ARG  75           HB3      ARG  75   2.372   7.963  -1.343
  548    HG2  ARG  75           HG2      ARG  75   1.523   6.517  -3.182
  549    HG3  ARG  75           HG3      ARG  75   3.165   5.944  -3.509
  550    HD2  ARG  75           HD2      ARG  75   3.309   5.032  -1.203
  551    HD3  ARG  75           HD3      ARG  75   1.621   5.519  -0.924
  552    HE   ARG  75           HE       ARG  75   1.561   3.994  -3.273
  553   HH11  ARG  75          HH11      ARG  75   2.494   3.249   0.082
  554   HH12  ARG  75          HH12      ARG  75   2.073   1.577  -0.122
  555   HH21  ARG  75          HH21      ARG  75   1.083   2.013  -3.457
  556   HH22  ARG  75          HH22      ARG  75   1.243   0.838  -2.145
  557    H    VAL  76           H        VAL  76   5.847   8.230  -2.989
  558    HA   VAL  76           HA       VAL  76   6.186   7.587  -5.889
  559    HB   VAL  76           HB       VAL  76   8.236   7.693  -3.648
  560   HG11  VAL  76          HG11      VAL  76   9.925   7.384  -5.494
  561   HG12  VAL  76          HG12      VAL  76   8.949   5.946  -5.205
  562   HG13  VAL  76          HG13      VAL  76   8.595   6.986  -6.603
  563   HG21  VAL  76          HG21      VAL  76   7.463   9.912  -4.450
  564   HG22  VAL  76          HG22      VAL  76   9.144   9.608  -4.915
  565   HG23  VAL  76          HG23      VAL  76   7.853   9.438  -6.117
  566    H    ASN  77           H        ASN  77   5.981   5.529  -6.587
  567    HA   ASN  77           HA       ASN  77   6.376   3.273  -4.678
  568    HB2  ASN  77           HB2      ASN  77   3.932   3.771  -4.858
  569    HB3  ASN  77           HB3      ASN  77   4.015   3.443  -6.590
  570   HD21  ASN  77          HD22      ASN  77   2.307   1.743  -5.934
  571   HD22  ASN  77          HD21      ASN  77   2.944   0.189  -5.407
  572    H    ASN  78           H        ASN  78   8.442   3.815  -5.966
  573    HA   ASN  78           HA       ASN  78   8.588   2.755  -8.695
  574    HB2  ASN  78           HB2      ASN  78   9.760   4.824  -7.855
  575    HB3  ASN  78           HB3      ASN  78  10.795   3.789  -6.878
  576   HD21  ASN  78          HD22      ASN  78  12.161   5.332  -8.466
  577   HD22  ASN  78          HD21      ASN  78  12.727   4.482  -9.908
  578    H    SER  79           H        SER  79   7.661   0.631  -7.519
  579    HA   SER  79           HA       SER  79   9.508  -0.984  -6.044
  580    HB2  SER  79           HB2      SER  79   7.644  -2.643  -6.203
  581    HB3  SER  79           HB3      SER  79   7.141  -1.049  -5.606
  582    HG   SER  79           HG       SER  79   5.707  -1.897  -7.240
  583    H    LEU  80           H        LEU  80   9.166  -0.585  -9.452
  584    HA   LEU  80           HA       LEU  80   9.359  -3.278 -10.289
  585    HB2  LEU  80           HB2      LEU  80  10.175  -0.808 -11.852
  586    HB3  LEU  80           HB3      LEU  80   9.741  -2.401 -12.501
  587    HG   LEU  80           HG       LEU  80   7.871  -0.420 -11.119
  588   HD11  LEU  80          HD11      LEU  80   8.558   0.148 -13.430
  589   HD12  LEU  80          HD12      LEU  80   8.016  -1.443 -13.984
  590   HD13  LEU  80          HD13      LEU  80   6.837  -0.276 -13.334
  591   HD21  LEU  80          HD21      LEU  80   7.284  -3.204 -12.214
  592   HD22  LEU  80          HD22      LEU  80   7.146  -2.672 -10.518
  593   HD23  LEU  80          HD23      LEU  80   6.053  -2.012 -11.741
  594    H    ASP  81           H        ASP  81  11.875  -1.365  -9.008
  595    HA   ASP  81           HA       ASP  81  14.133  -2.642 -10.268
  596    HB2  ASP  81           HB2      ASP  81  14.110  -0.640  -8.642
  597    HB3  ASP  81           HB3      ASP  81  13.911  -1.844  -7.349
  598    H    HIS  82           H        HIS  82  11.825  -3.747  -7.903
  599    HA   HIS  82           HA       HIS  82  13.340  -6.189  -7.208
  600    HB2  HIS  82           HB2      HIS  82  11.968  -4.632  -5.677
  601    HB3  HIS  82           HB3      HIS  82  10.531  -5.359  -6.391
  602    HD1  HIS  82           HD1      HIS  82  11.257  -8.409  -6.304
  603    HD2  HIS  82           HD2      HIS  82  12.188  -5.622  -3.305
  604    HE1  HIS  82           HE1      HIS  82  11.538  -9.753  -4.143
  605    H    GLU  83           H        GLU  83  11.490  -5.223  -9.830
  606    HA   GLU  83           HA       GLU  83  10.339  -7.926 -10.396
  607    HB2  GLU  83           HB2      GLU  83   9.797  -5.223 -11.708
  608    HB3  GLU  83           HB3      GLU  83   9.133  -6.758 -12.238
  609    HG2  GLU  83           HG2      GLU  83   8.628  -5.437  -9.539
  610    HG3  GLU  83           HG3      GLU  83   7.513  -5.490 -10.902
  611    H    TYR  84           H        TYR  84  12.258  -5.291 -11.844
  612    HA   TYR  84           HA       TYR  84  13.650  -7.252 -13.624
  613    HB2  TYR  84           HB2      TYR  84  13.088  -4.393 -14.430
  614    HB3  TYR  84           HB3      TYR  84  13.492  -5.767 -15.445
  615    HD1  TYR  84           HD2      TYR  84  11.688  -7.725 -15.509
  616    HD2  TYR  84           HD1      TYR  84  10.871  -3.714 -14.164
  617    HE1  TYR  84           HE2      TYR  84   9.247  -8.117 -15.819
  618    HE2  TYR  84           HE1      TYR  84   8.442  -4.101 -14.452
  619    HH   TYR  84           HH       TYR  84   6.783  -5.615 -15.078
  620    H    GLN  85           H        GLN  85  15.815  -6.886 -14.104
  621    HA   GLN  85           HA       GLN  85  17.378  -5.821 -11.995
  622    HB2  GLN  85           HB2      GLN  85  18.086  -6.750 -14.803
  623    HB3  GLN  85           HB3      GLN  85  19.318  -6.262 -13.650
  624    HG2  GLN  85           HG2      GLN  85  17.296  -8.489 -13.179
  625    HG3  GLN  85           HG3      GLN  85  18.960  -8.731 -13.704
  626   HE21  GLN  85          HE22      GLN  85  17.490  -9.620 -11.156
  627   HE22  GLN  85          HE21      GLN  85  18.524  -9.004  -9.873
  628    HA   PRO  86           HA       PRO  86  17.926  -1.626 -12.396
  629    HB2  PRO  86           HB2      PRO  86  20.913  -1.985 -12.737
  630    HB3  PRO  86           HB3      PRO  86  20.032  -0.813 -11.698
  631    HG2  PRO  86           HG2      PRO  86  20.985  -3.094 -10.611
  632    HG3  PRO  86           HG3      PRO  86  19.320  -2.558 -10.218
  633    HD2  PRO  86           HD2      PRO  86  20.201  -4.677 -12.176
  634    HD3  PRO  86           HD3      PRO  86  18.849  -4.693 -11.009
  635    H    ARG  87           H        ARG  87  17.858   0.071 -13.725
  636    HA   ARG  87           HA       ARG  87  18.682  -0.256 -16.587
  637    HB2  ARG  87           HB2      ARG  87  16.230   1.110 -15.397
  638    HB3  ARG  87           HB3      ARG  87  16.621   1.061 -17.111
  639    HG2  ARG  87           HG2      ARG  87  15.727  -1.239 -15.324
  640    HG3  ARG  87           HG3      ARG  87  14.873  -0.465 -16.652
  641    HD2  ARG  87           HD2      ARG  87  16.804  -1.314 -18.150
  642    HD3  ARG  87           HD3      ARG  87  17.190  -2.383 -16.806
  643    HE   ARG  87           HE       ARG  87  14.509  -2.251 -18.201
  644   HH11  ARG  87          HH11      ARG  87  16.635  -4.229 -16.228
  645   HH12  ARG  87          HH12      ARG  87  16.140  -5.726 -16.987
  646   HH21  ARG  87          HH21      ARG  87  13.816  -4.244 -19.112
  647   HH22  ARG  87          HH22      ARG  87  14.427  -5.725 -18.443
  648    HA   PRO  88           HA       PRO  88  20.646   3.782 -15.902
  649    HB2  PRO  88           HB2      PRO  88  21.129   4.598 -18.453
  650    HB3  PRO  88           HB3      PRO  88  22.020   3.258 -17.671
  651    HG2  PRO  88           HG2      PRO  88  19.648   3.063 -19.540
  652    HG3  PRO  88           HG3      PRO  88  21.187   2.145 -19.613
  653    HD2  PRO  88           HD2      PRO  88  18.896   1.161 -18.500
  654    HD3  PRO  88           HD3      PRO  88  20.514   0.749 -17.851
  655    H    VAL  89           H        VAL  89  19.378   5.351 -15.085
  656    HA   VAL  89           HA       VAL  89  16.738   5.762 -15.805
  657    HB   VAL  89           HB       VAL  89  17.762   6.343 -13.639
  658   HG11  VAL  89          HG11      VAL  89  18.755   8.525 -13.217
  659   HG12  VAL  89          HG12      VAL  89  19.721   7.671 -14.432
  660   HG13  VAL  89          HG13      VAL  89  18.613   8.973 -14.924
  661   HG21  VAL  89          HG21      VAL  89  15.471   7.053 -14.281
  662   HG22  VAL  89          HG22      VAL  89  16.256   8.118 -13.100
  663   HG23  VAL  89          HG23      VAL  89  16.113   8.632 -14.788
  664    H    GLU  90           H        GLU  90  19.474   7.531 -17.172
  665    HA   GLU  90           HA       GLU  90  18.014   9.574 -18.463
  666    HB2  GLU  90           HB2      GLU  90  19.891   9.797 -19.960
  667    HB3  GLU  90           HB3      GLU  90  20.439   9.561 -18.299
  668    HG2  GLU  90           HG2      GLU  90  20.921   7.147 -18.863
  669    HG3  GLU  90           HG3      GLU  90  20.487   7.497 -20.541
  670    H    VAL  91           H        VAL  91  18.474   6.191 -19.424
  671    HA   VAL  91           HA       VAL  91  17.202   6.555 -22.002
  672    HB   VAL  91           HB       VAL  91  17.658   3.937 -20.544
  673   HG11  VAL  91          HG11      VAL  91  16.042   3.650 -22.369
  674   HG12  VAL  91          HG12      VAL  91  17.102   4.540 -23.488
  675   HG13  VAL  91          HG13      VAL  91  17.590   2.958 -22.846
  676   HG21  VAL  91          HG21      VAL  91  19.664   3.714 -21.988
  677   HG22  VAL  91          HG22      VAL  91  19.406   5.366 -22.594
  678   HG23  VAL  91          HG23      VAL  91  19.818   5.080 -20.888
  679    H    ILE  92           H        ILE  92  16.038   5.635 -18.742
  680    HA   ILE  92           HA       ILE  92  13.338   4.947 -19.561
  681    HB   ILE  92           HB       ILE  92  14.160   6.176 -16.890
  682   HG12  ILE  92          HG12      ILE  92  14.193   3.212 -17.619
  683   HG13  ILE  92          HG13      ILE  92  15.631   4.212 -17.400
  684   HG21  ILE  92          HG21      ILE  92  12.175   5.027 -16.036
  685   HG22  ILE  92          HG22      ILE  92  11.693   5.986 -17.424
  686   HG23  ILE  92          HG23      ILE  92  11.914   4.234 -17.601
  687   HD11  ILE  92          HD11      ILE  92  15.362   3.092 -15.360
  688   HD12  ILE  92          HD12      ILE  92  14.837   4.752 -15.058
  689   HD13  ILE  92          HD13      ILE  92  13.629   3.461 -15.258
  690    H    ILE  93           H        ILE  93  14.724   8.052 -18.381
  691    HA   ILE  93           HA       ILE  93  12.371   9.606 -18.898
  692    HB   ILE  93           HB       ILE  93  15.301  10.292 -18.498
  693   HG12  ILE  93          HG12      ILE  93  12.825  10.898 -16.801
  694   HG13  ILE  93          HG13      ILE  93  13.776   9.426 -16.593
  695   HG21  ILE  93          HG21      ILE  93  12.992  12.270 -18.882
  696   HG22  ILE  93          HG22      ILE  93  14.612  12.701 -18.283
  697   HG23  ILE  93          HG23      ILE  93  14.427  12.098 -19.920
  698   HD11  ILE  93          HD11      ILE  93  14.770  12.261 -16.108
  699   HD12  ILE  93          HD12      ILE  93  14.400  11.029 -14.899
  700   HD13  ILE  93          HD13      ILE  93  15.764  10.787 -16.010
  701    H    SER  94           H        SER  94  15.192   8.906 -21.007
  702    HA   SER  94           HA       SER  94  14.243  10.429 -23.216
  703    HB2  SER  94           HB2      SER  94  15.853   7.848 -23.297
  704    HB3  SER  94           HB3      SER  94  15.644   8.991 -24.630
  705    HG   SER  94           HG       SER  94  16.993   9.402 -22.156
  706    H    SER  95           H        SER  95  13.503   7.065 -22.301
  707    HA   SER  95           HA       SER  95  11.827   6.433 -24.525
  708    HB2  SER  95           HB2      SER  95  12.789   4.794 -22.879
  709    HB3  SER  95           HB3      SER  95  11.653   5.399 -21.667
  710    HG   SER  95           HG       SER  95  11.093   3.933 -24.056
  711    H    ALA  96           H        ALA  96  11.049   7.853 -21.301
  712    HA   ALA  96           HA       ALA  96   8.266   8.170 -21.663
  713    HB1  ALA  96           HB1      ALA  96  10.191   9.997 -20.141
  714    HB2  ALA  96           HB2      ALA  96   8.492   9.644 -19.754
  715    HB3  ALA  96           HB3      ALA  96   9.722   8.393 -19.564
  716    H    LYS  97           H        LYS  97  10.941  10.502 -22.370
  717    HA   LYS  97           HA       LYS  97   9.313  12.536 -23.526
  718    HB2  LYS  97           HB2      LYS  97  12.239  11.773 -23.800
  719    HB3  LYS  97           HB3      LYS  97  11.558  13.198 -24.588
  720    HG2  LYS  97           HG2      LYS  97  10.948  14.210 -22.482
  721    HG3  LYS  97           HG3      LYS  97  11.386  12.752 -21.572
  722    HD2  LYS  97           HD2      LYS  97  13.711  12.965 -22.195
  723    HD3  LYS  97           HD3      LYS  97  13.353  14.320 -23.294
  724    HE2  LYS  97           HE2      LYS  97  12.531  15.657 -21.330
  725    HE3  LYS  97           HE3      LYS  97  13.030  14.347 -20.252
  726    HZ1  LYS  97           HZ1      LYS  97  14.744  16.080 -20.412
  727    HZ2  LYS  97           HZ2      LYS  97  15.341  14.699 -21.050
  728    HZ3  LYS  97           HZ3      LYS  97  14.848  15.915 -22.030
  729    H    GLU  98           H        GLU  98  10.923   9.767 -25.093
  730    HA   GLU  98           HA       GLU  98  10.116  10.455 -27.744
  731    HB2  GLU  98           HB2      GLU  98  11.018   7.850 -26.477
  732    HB3  GLU  98           HB3      GLU  98  10.503   7.941 -28.163
  733    HG2  GLU  98           HG2      GLU  98  12.190   9.672 -28.639
  734    HG3  GLU  98           HG3      GLU  98  12.766   9.598 -26.979
  735    H    MET  99           H        MET  99   8.475   8.531 -25.211
  736    HA   MET  99           HA       MET  99   6.308   7.854 -26.974
  737    HB2  MET  99           HB2      MET  99   6.723   7.466 -24.009
  738    HB3  MET  99           HB3      MET  99   5.229   7.011 -24.853
  739    HG2  MET  99           HG2      MET  99   6.532   5.636 -26.466
  740    HG3  MET  99           HG3      MET  99   8.021   6.107 -25.673
  741    HE1  MET  99           HE1      MET  99   4.920   3.243 -23.803
  742    HE2  MET  99           HE2      MET  99   4.540   4.928 -24.178
  743    HE3  MET  99           HE3      MET  99   4.833   3.765 -25.502
  744    H    VAL 100           H        VAL 100   6.697  10.516 -24.629
  745    HA   VAL 100           HA       VAL 100   4.140  11.641 -24.719
  746    HB   VAL 100           HB       VAL 100   6.789  13.098 -24.927
  747   HG11  VAL 100          HG11      VAL 100   4.014  14.293 -24.475
  748   HG12  VAL 100          HG12      VAL 100   5.547  15.147 -24.199
  749   HG13  VAL 100          HG13      VAL 100   5.105  14.648 -25.834
  750   HG21  VAL 100          HG21      VAL 100   6.435  13.573 -22.583
  751   HG22  VAL 100          HG22      VAL 100   4.816  12.847 -22.621
  752   HG23  VAL 100          HG23      VAL 100   6.244  11.830 -22.812
  753    H    GLY 101           H        GLY 101   2.768  12.313 -26.144
  754    HA2  GLY 101           HA2      GLY 101   1.983  13.363 -28.116
  755    HA3  GLY 101           HA3      GLY 101   3.546  13.074 -28.920
  756    H    GLN 102           H        GLN 102   3.116  10.115 -27.644
  757    HA   GLN 102           HA       GLN 102   1.695   9.102 -29.970
  758    HB2  GLN 102           HB2      GLN 102   3.251   7.586 -27.845
  759    HB3  GLN 102           HB3      GLN 102   2.570   6.921 -29.325
  760    HG2  GLN 102           HG2      GLN 102   4.044   8.500 -30.658
  761    HG3  GLN 102           HG3      GLN 102   4.806   8.992 -29.147
  762   HE21  GLN 102          HE22      GLN 102   6.905   8.078 -29.219
  763   HE22  GLN 102          HE21      GLN 102   7.174   6.389 -29.636
  764    H    LYS 103           H        LYS 103   0.126   7.380 -29.734
  765    HA   LYS 103           HA       LYS 103  -1.717   7.835 -27.434
  766    HB2  LYS 103           HB2      LYS 103  -2.234   7.333 -30.389
  767    HB3  LYS 103           HB3      LYS 103  -3.505   7.437 -29.159
  768    HG2  LYS 103           HG2      LYS 103  -2.888   9.737 -28.617
  769    HG3  LYS 103           HG3      LYS 103  -1.537   9.707 -29.757
  770    HD2  LYS 103           HD2      LYS 103  -4.448   9.337 -30.549
  771    HD3  LYS 103           HD3      LYS 103  -3.562  10.873 -30.603
  772    HE2  LYS 103           HE2      LYS 103  -1.910   9.865 -32.170
  773    HE3  LYS 103           HE3      LYS 103  -2.841   8.358 -32.182
  774    HZ1  LYS 103           HZ1      LYS 103  -3.395   9.771 -34.084
  775    HZ2  LYS 103           HZ2      LYS 103  -4.715   9.595 -33.137
  776    HZ3  LYS 103           HZ3      LYS 103  -3.867  10.994 -33.114
  777    H    MET 104           H        MET 104  -3.280   6.193 -26.952
  778    HA   MET 104           HA       MET 104  -2.587   3.361 -27.572
  779    HB2  MET 104           HB2      MET 104  -2.705   4.516 -24.739
  780    HB3  MET 104           HB3      MET 104  -2.662   2.795 -25.131
  781    HG2  MET 104           HG2      MET 104  -0.471   3.141 -26.275
  782    HG3  MET 104           HG3      MET 104  -0.477   4.824 -25.728
  783    HE1  MET 104           HE1      MET 104   1.794   2.751 -25.339
  784    HE2  MET 104           HE2      MET 104   1.939   4.399 -24.693
  785    HE3  MET 104           HE3      MET 104   2.301   2.990 -23.659
  786    H    LYS 105           H        LYS 105  -4.222   1.847 -26.930
  787    HA   LYS 105           HA       LYS 105  -6.975   2.983 -26.592
  788    HB2  LYS 105           HB2      LYS 105  -5.996   0.224 -27.469
  789    HB3  LYS 105           HB3      LYS 105  -7.688   0.667 -27.281
  790    HG2  LYS 105           HG2      LYS 105  -5.751   1.895 -29.289
  791    HG3  LYS 105           HG3      LYS 105  -7.023   0.717 -29.624
  792    HD2  LYS 105           HD2      LYS 105  -8.729   2.389 -28.787
  793    HD3  LYS 105           HD3      LYS 105  -7.418   3.593 -28.685
  794    HE2  LYS 105           HE2      LYS 105  -6.942   3.282 -31.102
  795    HE3  LYS 105           HE3      LYS 105  -8.250   2.090 -31.209
  796    HZ1  LYS 105           HZ1      LYS 105  -8.603   4.957 -30.463
  797    HZ2  LYS 105           HZ2      LYS 105  -8.999   4.297 -31.913
  798    HZ3  LYS 105           HZ3      LYS 105  -9.820   3.853 -30.567
  799    H    TYR 106           H        TYR 106  -8.383   1.194 -25.331
  800    HA   TYR 106           HA       TYR 106  -7.285   1.280 -22.577
  801    HB2  TYR 106           HB2      TYR 106  -9.430   2.368 -23.232
  802    HB3  TYR 106           HB3      TYR 106 -10.086   0.778 -23.604
  803    HD1  TYR 106           HD2      TYR 106  -8.220   2.425 -20.744
  804    HD2  TYR 106           HD1      TYR 106 -11.571  -0.010 -21.960
  805    HE1  TYR 106           HE2      TYR 106  -8.979   2.297 -18.385
  806    HE2  TYR 106           HE1      TYR 106 -12.346  -0.119 -19.604
  807    HH   TYR 106           HH       TYR 106 -10.574   1.490 -16.924
  808    H    SER 107           H        SER 107  -7.687  -0.504 -21.076
  809    HA   SER 107           HA       SER 107  -7.566  -2.665 -20.345
  810    HB2  SER 107           HB2      SER 107  -9.033  -3.412 -22.907
  811    HB3  SER 107           HB3      SER 107  -8.859  -4.397 -21.454
  812    HG   SER 107           HG       SER 107 -10.877  -3.297 -21.474
  813    H    ILE 108           H        ILE 108  -5.329  -1.620 -21.832
  814    HA   ILE 108           HA       ILE 108  -4.311  -3.618 -23.676
  815    HB   ILE 108           HB       ILE 108  -2.270  -2.170 -23.703
  816   HG12  ILE 108          HG12      ILE 108  -3.876  -0.228 -21.994
  817   HG13  ILE 108          HG13      ILE 108  -2.577  -1.205 -21.333
  818   HG21  ILE 108          HG21      ILE 108  -4.162  -1.960 -25.283
  819   HG22  ILE 108          HG22      ILE 108  -4.980  -0.838 -24.186
  820   HG23  ILE 108          HG23      ILE 108  -3.447  -0.380 -24.959
  821   HD11  ILE 108          HD11      ILE 108  -1.714   0.983 -21.816
  822   HD12  ILE 108          HD12      ILE 108  -0.983  -0.167 -22.950
  823   HD13  ILE 108          HD13      ILE 108  -2.294   0.920 -23.488
  824    H    VAL 109           H        VAL 109  -4.669  -5.341 -22.041
  825    HA   VAL 109           HA       VAL 109  -3.677  -7.242 -21.295
  826    HB   VAL 109           HB       VAL 109  -0.963  -5.846 -21.180
  827   HG11  VAL 109          HG11      VAL 109  -0.073  -8.157 -21.308
  828   HG12  VAL 109          HG12      VAL 109  -0.981  -7.880 -19.827
  829   HG13  VAL 109          HG13      VAL 109  -1.723  -8.795 -21.160
  830   HG21  VAL 109          HG21      VAL 109  -0.514  -7.006 -23.338
  831   HG22  VAL 109          HG22      VAL 109  -2.206  -7.543 -23.398
  832   HG23  VAL 109          HG23      VAL 109  -1.804  -5.815 -23.510
  833    H    SER 110           H        SER 110  -2.811  -4.247 -19.662
  834    HA   SER 110           HA       SER 110  -3.869  -5.236 -17.109
  835    HB2  SER 110           HB2      SER 110  -1.447  -5.924 -17.113
  836    HB3  SER 110           HB3      SER 110  -1.006  -4.212 -17.224
  837    HG   SER 110           HG       SER 110  -1.091  -5.112 -15.019
  838    H    ARG 111           H        ARG 111  -3.215  -3.145 -15.472
  839    HA   ARG 111           HA       ARG 111  -5.082  -1.160 -16.256
  840    HB2  ARG 111           HB2      ARG 111  -2.915  -1.007 -14.120
  841    HB3  ARG 111           HB3      ARG 111  -4.291   0.097 -14.275
  842    HG2  ARG 111           HG2      ARG 111  -5.835  -1.876 -14.035
  843    HG3  ARG 111           HG3      ARG 111  -4.433  -2.904 -13.706
  844    HD2  ARG 111           HD2      ARG 111  -5.266  -0.488 -12.046
  845    HD3  ARG 111           HD3      ARG 111  -5.654  -2.174 -11.681
  846    HE   ARG 111           HE       ARG 111  -2.776  -1.752 -11.992
  847   HH11  ARG 111          HH21      ARG 111  -5.385  -1.587  -9.572
  848   HH12  ARG 111          HH22      ARG 111  -4.251  -1.725  -8.263
  849   HH21  ARG 111          HH11      ARG 111  -1.442  -1.814 -10.344
  850   HH22  ARG 111          HH12      ARG 111  -2.013  -1.882  -8.686
  851    H    ASN 112           H        ASN 112  -4.942   0.411 -17.665
  852    HA   ASN 112           HA       ASN 112  -3.037   0.833 -19.481
  853    HB2  ASN 112           HB2      ASN 112  -5.315   2.471 -18.474
  854    HB3  ASN 112           HB3      ASN 112  -4.120   3.392 -19.370
  855   HD21  ASN 112          HD22      ASN 112  -4.063   3.249 -21.606
  856   HD22  ASN 112          HD21      ASN 112  -4.999   2.087 -22.522
  857    H    CYS 113           H        CYS 113  -3.206   3.368 -16.879
  858    HA   CYS 113           HA       CYS 113  -0.728   4.522 -17.777
  859    HB2  CYS 113           HB2      CYS 113  -2.220   4.921 -15.136
  860    HB3  CYS 113           HB3      CYS 113  -0.964   5.988 -15.817
  861    HG   CYS 113           HG       CYS 113  -3.306   7.121 -16.215
  862    H    GLU 114           H        GLU 114  -1.360   2.147 -15.214
  863    HA   GLU 114           HA       GLU 114   1.272   2.075 -14.069
  864    HB2  GLU 114           HB2      GLU 114  -0.747   1.059 -13.047
  865    HB3  GLU 114           HB3      GLU 114  -0.792  -0.137 -14.344
  866    HG2  GLU 114           HG2      GLU 114   1.374  -1.050 -13.612
  867    HG3  GLU 114           HG3      GLU 114   1.508   0.222 -12.387
  868    H    HIS 115           H        HIS 115  -0.226   0.008 -16.666
  869    HA   HIS 115           HA       HIS 115   2.201  -1.371 -17.255
  870    HB2  HIS 115           HB2      HIS 115  -0.110  -2.096 -17.886
  871    HB3  HIS 115           HB3      HIS 115  -0.165  -0.810 -19.095
  872    HD1  HIS 115           HD1      HIS 115  -0.519  -2.979 -20.858
  873    HD2  HIS 115           HD2      HIS 115   3.209  -2.647 -18.917
  874    HE1  HIS 115           HE1      HIS 115   1.107  -4.420 -22.158
  875    H    PHE 116           H        PHE 116   0.907   1.713 -18.564
  876    HA   PHE 116           HA       PHE 116   3.022   2.138 -20.428
  877    HB2  PHE 116           HB2      PHE 116   1.123   3.541 -20.622
  878    HB3  PHE 116           HB3      PHE 116   1.132   3.968 -18.921
  879    HD1  PHE 116           HD1      PHE 116   3.163   4.361 -22.053
  880    HD2  PHE 116           HD2      PHE 116   2.179   5.945 -18.165
  881    HE1  PHE 116           HE1      PHE 116   4.578   6.356 -22.496
  882    HE2  PHE 116           HE2      PHE 116   3.644   7.909 -18.599
  883    HZ   PHE 116           HZ       PHE 116   4.832   8.107 -20.775
  884    H    VAL 117           H        VAL 117   2.843   3.415 -16.986
  885    HA   VAL 117           HA       VAL 117   5.569   4.323 -17.253
  886    HB   VAL 117           HB       VAL 117   5.691   4.692 -14.912
  887   HG11  VAL 117          HG11      VAL 117   4.539   6.363 -16.282
  888   HG12  VAL 117          HG12      VAL 117   2.979   5.563 -15.946
  889   HG13  VAL 117          HG13      VAL 117   3.912   6.300 -14.631
  890   HG21  VAL 117          HG21      VAL 117   4.488   2.670 -14.052
  891   HG22  VAL 117          HG22      VAL 117   3.968   4.177 -13.303
  892   HG23  VAL 117          HG23      VAL 117   2.961   3.420 -14.549
  893    H    THR 118           H        THR 118   4.344   1.167 -16.437
  894    HA   THR 118           HA       THR 118   6.787  -0.048 -15.517
  895    HB   THR 118           HB       THR 118   4.454  -1.202 -16.918
  896    HG1  THR 118           HG1      THR 118   3.862  -0.396 -14.961
  897   HG21  THR 118          HG21      THR 118   6.685  -2.612 -15.417
  898   HG22  THR 118          HG22      THR 118   5.158  -3.371 -15.901
  899   HG23  THR 118          HG23      THR 118   6.287  -2.798 -17.138
  900    H    GLN 119           H        GLN 119   5.341   0.114 -18.777
  901    HA   GLN 119           HA       GLN 119   7.454  -1.361 -19.925
  902    HB2  GLN 119           HB2      GLN 119   6.338  -1.220 -21.893
  903    HB3  GLN 119           HB3      GLN 119   5.073  -0.956 -20.701
  904    HG2  GLN 119           HG2      GLN 119   5.337   1.547 -21.209
  905    HG3  GLN 119           HG3      GLN 119   6.324   1.060 -22.581
  906   HE21  GLN 119          HE22      GLN 119   3.188  -0.076 -21.076
  907   HE22  GLN 119          HE21      GLN 119   2.327  -0.079 -22.615
  908    H    LEU 120           H        LEU 120   7.265   2.054 -19.345
  909    HA   LEU 120           HA       LEU 120   9.461   2.963 -20.945
  910    HB2  LEU 120           HB2      LEU 120   8.650   3.876 -18.146
  911    HB3  LEU 120           HB3      LEU 120   9.693   4.760 -19.261
  912    HG   LEU 120           HG       LEU 120   6.735   4.175 -19.667
  913   HD11  LEU 120          HD11      LEU 120   6.437   6.563 -19.325
  914   HD12  LEU 120          HD12      LEU 120   7.264   5.857 -17.929
  915   HD13  LEU 120          HD13      LEU 120   8.186   6.781 -19.137
  916   HD21  LEU 120          HD21      LEU 120   6.898   5.694 -21.620
  917   HD22  LEU 120          HD22      LEU 120   8.670   5.693 -21.444
  918   HD23  LEU 120          HD23      LEU 120   7.803   4.195 -21.834
  919    H    ARG 121           H        ARG 121   9.502   1.271 -17.811
  920    HA   ARG 121           HA       ARG 121  12.480   1.380 -17.739
  921    HB2  ARG 121           HB2      ARG 121  11.122   1.899 -15.702
  922    HB3  ARG 121           HB3      ARG 121  10.538   0.229 -15.681
  923    HG2  ARG 121           HG2      ARG 121  12.894  -0.576 -15.433
  924    HG3  ARG 121           HG3      ARG 121  13.467   1.098 -15.528
  925    HD2  ARG 121           HD2      ARG 121  12.029   1.570 -13.473
  926    HD3  ARG 121           HD3      ARG 121  11.789  -0.163 -13.320
  927    HE   ARG 121           HE       ARG 121  14.192   1.413 -12.756
  928   HH11  ARG 121          HH21      ARG 121  13.176  -1.955 -13.282
  929   HH12  ARG 121          HH22      ARG 121  14.490  -2.580 -12.339
  930   HH21  ARG 121          HH11      ARG 121  15.751   0.555 -11.470
  931   HH22  ARG 121          HH12      ARG 121  15.823  -1.145 -11.157
  932    H    TYR 122           H        TYR 122   9.841  -1.077 -17.788
  933    HA   TYR 122           HA       TYR 122  11.530  -3.371 -17.844
  934    HB2  TYR 122           HB2      TYR 122   9.207  -3.513 -17.256
  935    HB3  TYR 122           HB3      TYR 122   8.702  -2.832 -18.791
  936    HD1  TYR 122           HD2      TYR 122  10.969  -5.703 -17.815
  937    HD2  TYR 122           HD1      TYR 122   7.565  -4.374 -20.108
  938    HE1  TYR 122           HE2      TYR 122  10.737  -7.973 -18.774
  939    HE2  TYR 122           HE1      TYR 122   7.326  -6.650 -21.069
  940    HH   TYR 122           HH       TYR 122   9.539  -9.343 -20.194
  941    H    GLY 123           H        GLY 123  10.133  -1.471 -20.525
  942    HA2  GLY 123           HA2      GLY 123  11.541  -3.038 -22.617
  943    HA3  GLY 123           HA3      GLY 123  10.287  -1.790 -22.842
  944    H    LYS 124           H        LYS 124  13.149  -1.330 -20.795
  945    HA   LYS 124           HA       LYS 124  13.988   1.102 -21.908
  946    HB2  LYS 124           HB2      LYS 124  14.616   0.249 -19.731
  947    HB3  LYS 124           HB3      LYS 124  15.509  -1.095 -20.420
  948    HG2  LYS 124           HG2      LYS 124  16.240   1.844 -20.782
  949    HG3  LYS 124           HG3      LYS 124  16.796   0.868 -19.443
  950    HD2  LYS 124           HD2      LYS 124  17.537   0.439 -22.370
  951    HD3  LYS 124           HD3      LYS 124  18.552   1.095 -21.107
  952    HE2  LYS 124           HE2      LYS 124  18.552  -1.068 -19.897
  953    HE3  LYS 124           HE3      LYS 124  17.432  -1.762 -21.084
  954    HZ1  LYS 124           HZ1      LYS 124  19.761  -2.359 -21.527
  955    HZ2  LYS 124           HZ2      LYS 124  19.099  -1.577 -22.783
  956    HZ3  LYS 124           HZ3      LYS 124  20.160  -0.798 -21.790
  957    H    SER 125           H        SER 125  15.161  -2.138 -22.722
  958    HA   SER 125           HA       SER 125  17.118  -1.327 -24.651
  959    HB2  SER 125           HB2      SER 125  15.836  -4.041 -24.197
  960    HB3  SER 125           HB3      SER 125  17.297  -3.723 -25.155
  961    HG   SER 125           HG       SER 125  17.768  -4.335 -22.936
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  15.100  25.181   6.781
    2    H2   MET   1           H2       MET   1  14.329  26.142   7.864
    3    H3   MET   1           H3       MET   1  15.208  24.866   8.381
    4    HA   MET   1           HA       MET   1  12.865  24.348   8.529
    5    HB2  MET   1           HB2      MET   1  12.212  25.906   6.650
    6    HB3  MET   1           HB3      MET   1  12.828  24.723   5.497
    7    HG2  MET   1           HG2      MET   1  11.134  23.086   6.291
    8    HG3  MET   1           HG3      MET   1  10.603  24.233   7.522
    9    HE1  MET   1           HE1      MET   1  11.415  24.686   3.579
   10    HE2  MET   1           HE2      MET   1  10.534  23.155   3.790
   11    HE3  MET   1           HE3      MET   1   9.758  24.528   2.971
   12    H    ALA   2           H        ALA   2  12.328  22.144   8.532
   13    HA   ALA   2           HA       ALA   2  14.406  20.260   7.767
   14    HB1  ALA   2           HB1      ALA   2  11.579  19.835   8.833
   15    HB2  ALA   2           HB2      ALA   2  12.870  18.620   8.786
   16    HB3  ALA   2           HB3      ALA   2  13.040  20.048   9.825
   17    H    SER   3           H        SER   3  14.005  18.286   6.492
   18    HA   SER   3           HA       SER   3  12.871  18.886   3.879
   19    HB2  SER   3           HB2      SER   3  13.665  16.562   3.354
   20    HB3  SER   3           HB3      SER   3  14.915  17.670   3.933
   21    HG   SER   3           HG       SER   3  15.048  15.583   4.952
   22    HA   PRO   4           HA       PRO   4   8.889  16.975   4.533
   23    HB2  PRO   4           HB2      PRO   4   8.054  16.457   2.002
   24    HB3  PRO   4           HB3      PRO   4   8.327  18.130   2.577
   25    HG2  PRO   4           HG2      PRO   4  10.243  16.378   1.003
   26    HG3  PRO   4           HG3      PRO   4   9.737  18.062   0.641
   27    HD2  PRO   4           HD2      PRO   4  12.047  17.504   1.984
   28    HD3  PRO   4           HD3      PRO   4  11.054  18.936   2.386
   29    H    HIS   5           H        HIS   5   7.690  14.954   4.360
   30    HA   HIS   5           HA       HIS   5   9.368  12.596   4.551
   31    HB2  HIS   5           HB2      HIS   5   6.332  12.863   4.534
   32    HB3  HIS   5           HB3      HIS   5   7.245  11.464   5.081
   33    HD1  HIS   5           HD1      HIS   5   9.025  12.166   7.294
   34    HD2  HIS   5           HD2      HIS   5   5.605  14.474   6.445
   35    HE1  HIS   5           HE1      HIS   5   8.517  13.500   9.407
   36    H    GLN   6           H        GLN   6   8.089  14.082   1.809
   37    HA   GLN   6           HA       GLN   6   8.500  11.666   0.141
   38    HB2  GLN   6           HB2      GLN   6   5.992  13.398   0.240
   39    HB3  GLN   6           HB3      GLN   6   6.437  12.517  -1.216
   40    HG2  GLN   6           HG2      GLN   6   5.968  11.171   1.475
   41    HG3  GLN   6           HG3      GLN   6   4.750  11.363   0.219
   42   HE21  GLN   6          HE21      GLN   6   7.520   9.408   1.202
   43   HE22  GLN   6          HE22      GLN   6   7.452   8.370  -0.226
   44    H    GLU   7           H        GLU   7   9.836  12.160  -1.504
   45    HA   GLU   7           HA       GLU   7   9.395  14.523  -3.089
   46    HB2  GLU   7           HB2      GLU   7  10.836  15.558  -1.497
   47    HB3  GLU   7           HB3      GLU   7  12.042  14.265  -1.663
   48    HG2  GLU   7           HG2      GLU   7  12.398  14.967  -4.034
   49    HG3  GLU   7           HG3      GLU   7  11.191  16.242  -3.826
   50    HA   PRO   8           HA       PRO   8  10.872  11.161  -5.773
   51    HB2  PRO   8           HB2      PRO   8   9.823  11.989  -8.114
   52    HB3  PRO   8           HB3      PRO   8   8.770  11.483  -6.755
   53    HG2  PRO   8           HG2      PRO   8   9.590  14.306  -7.517
   54    HG3  PRO   8           HG3      PRO   8   7.936  13.689  -7.197
   55    HD2  PRO   8           HD2      PRO   8   9.503  14.959  -5.287
   56    HD3  PRO   8           HD3      PRO   8   8.301  13.697  -4.882
   57    H    LYS   9           H        LYS   9  12.381  10.838  -7.442
   58    HA   LYS   9           HA       LYS   9  13.934  13.177  -8.413
   59    HB2  LYS   9           HB2      LYS   9  14.939  10.550  -7.223
   60    HB3  LYS   9           HB3      LYS   9  15.996  11.586  -8.170
   61    HG2  LYS   9           HG2      LYS   9  14.537  12.471  -5.651
   62    HG3  LYS   9           HG3      LYS   9  16.195  11.891  -5.686
   63    HD2  LYS   9           HD2      LYS   9  17.049  13.818  -6.626
   64    HD3  LYS   9           HD3      LYS   9  15.613  14.153  -7.571
   65    HE2  LYS   9           HE2      LYS   9  15.759  15.872  -5.909
   66    HE3  LYS   9           HE3      LYS   9  14.377  14.843  -5.535
   67    HZ1  LYS   9           HZ1      LYS   9  15.843  13.713  -3.865
   68    HZ2  LYS   9           HZ2      LYS   9  17.013  14.825  -4.154
   69    HZ3  LYS   9           HZ3      LYS   9  15.555  15.287  -3.534
   70    HA   PRO  10           HA       PRO  10  13.716  11.990 -12.570
   71    HB2  PRO  10           HB2      PRO  10  16.699  11.443 -12.486
   72    HB3  PRO  10           HB3      PRO  10  15.750  12.246 -13.775
   73    HG2  PRO  10           HG2      PRO  10  17.043  13.766 -12.000
   74    HG3  PRO  10           HG3      PRO  10  15.332  14.156 -12.385
   75    HD2  PRO  10           HD2      PRO  10  16.444  12.692  -9.996
   76    HD3  PRO  10           HD3      PRO  10  15.154  13.927 -10.066
   77    H    GLY  11           H        GLY  11  12.825  10.211 -13.402
   78    HA2  GLY  11           HA2      GLY  11  12.805   8.044 -14.304
   79    HA3  GLY  11           HA3      GLY  11  14.135   7.552 -13.224
   80    H    ASP  12           H        ASP  12  12.198   9.005 -11.060
   81    HA   ASP  12           HA       ASP  12  11.267   6.538 -10.007
   82    HB2  ASP  12           HB2      ASP  12  10.667   9.399  -9.205
   83    HB3  ASP  12           HB3      ASP  12  10.094   7.982  -8.338
   84    H    LEU  13           H        LEU  13   9.220   5.800  -9.483
   85    HA   LEU  13           HA       LEU  13   7.023   6.544 -11.350
   86    HB2  LEU  13           HB2      LEU  13   7.275   4.241  -9.361
   87    HB3  LEU  13           HB3      LEU  13   5.873   4.573 -10.352
   88    HG   LEU  13           HG       LEU  13   6.854   2.825 -11.441
   89   HD11  LEU  13          HD11      LEU  13   7.586   3.606 -13.601
   90   HD12  LEU  13          HD12      LEU  13   6.378   4.748 -12.966
   91   HD13  LEU  13          HD13      LEU  13   8.101   5.162 -12.918
   92   HD21  LEU  13          HD21      LEU  13   9.233   2.556 -11.990
   93   HD22  LEU  13          HD22      LEU  13   9.621   4.058 -11.139
   94   HD23  LEU  13          HD23      LEU  13   8.956   2.666 -10.247
   95    H    ILE  14           H        ILE  14   5.445   7.805 -10.764
   96    HA   ILE  14           HA       ILE  14   4.966   8.463  -7.872
   97    HB   ILE  14           HB       ILE  14   3.791   9.725 -10.383
   98   HG12  ILE  14          HG12      ILE  14   6.171  10.236 -10.393
   99   HG13  ILE  14          HG13      ILE  14   5.215  11.660 -10.081
  100   HG21  ILE  14          HG21      ILE  14   3.691  10.594  -7.457
  101   HG22  ILE  14          HG22      ILE  14   3.076  11.543  -8.834
  102   HG23  ILE  14          HG23      ILE  14   2.346   9.991  -8.437
  103   HD11  ILE  14          HD11      ILE  14   6.731  10.074  -7.964
  104   HD12  ILE  14          HD12      ILE  14   7.219  11.618  -8.681
  105   HD13  ILE  14          HD13      ILE  14   5.777  11.551  -7.661
  106    H    GLU  15           H        GLU  15   3.165   7.645  -6.941
  107    HA   GLU  15           HA       GLU  15   1.156   6.157  -8.580
  108    HB2  GLU  15           HB2      GLU  15   2.493   4.734  -7.090
  109    HB3  GLU  15           HB3      GLU  15   2.131   5.781  -5.714
  110    HG2  GLU  15           HG2      GLU  15  -0.197   5.138  -5.745
  111    HG3  GLU  15           HG3      GLU  15  -0.005   4.283  -7.278
  112    H    ILE  16           H        ILE  16  -0.867   6.931  -8.496
  113    HA   ILE  16           HA       ILE  16  -1.570   9.151  -6.609
  114    HB   ILE  16           HB       ILE  16  -2.244   8.952  -9.565
  115   HG12  ILE  16          HG12      ILE  16  -0.138  10.731  -8.275
  116   HG13  ILE  16          HG13      ILE  16   0.199   9.322  -9.274
  117   HG21  ILE  16          HG21      ILE  16  -2.576  11.259  -7.598
  118   HG22  ILE  16          HG22      ILE  16  -3.048  11.273  -9.308
  119   HG23  ILE  16          HG23      ILE  16  -3.888  10.219  -8.186
  120   HD11  ILE  16          HD11      ILE  16   0.522  11.262 -10.610
  121   HD12  ILE  16          HD12      ILE  16  -0.899  10.381 -11.211
  122   HD13  ILE  16          HD13      ILE  16  -1.099  11.876 -10.258
  123    H    PHE  17           H        PHE  17  -3.450   8.956  -5.617
  124    HA   PHE  17           HA       PHE  17  -5.391   6.828  -6.421
  125    HB2  PHE  17           HB2      PHE  17  -4.866   8.047  -3.684
  126    HB3  PHE  17           HB3      PHE  17  -6.030   6.784  -4.062
  127    HD1  PHE  17           HD2      PHE  17  -5.168   4.545  -4.979
  128    HD2  PHE  17           HD1      PHE  17  -2.583   7.499  -3.196
  129    HE1  PHE  17           HE2      PHE  17  -3.426   2.808  -4.614
  130    HE2  PHE  17           HE1      PHE  17  -0.851   5.761  -2.823
  131    HZ   PHE  17           HZ       PHE  17  -1.273   3.412  -3.530
  132    H    ARG  18           H        ARG  18  -6.817   7.779  -7.643
  133    HA   ARG  18           HA       ARG  18  -7.985  10.456  -7.018
  134    HB2  ARG  18           HB2      ARG  18  -6.920  10.148  -9.197
  135    HB3  ARG  18           HB3      ARG  18  -7.894   8.728  -9.542
  136    HG2  ARG  18           HG2      ARG  18  -9.887  10.010  -9.821
  137    HG3  ARG  18           HG3      ARG  18  -9.176  11.455  -9.092
  138    HD2  ARG  18           HD2      ARG  18  -8.252  10.200 -11.709
  139    HD3  ARG  18           HD3      ARG  18  -9.378  11.557 -11.592
  140    HE   ARG  18           HE       ARG  18  -7.524  12.741 -10.293
  141   HH11  ARG  18          HH11      ARG  18  -6.772  10.623 -13.031
  142   HH12  ARG  18          HH12      ARG  18  -5.226  11.376 -13.296
  143   HH21  ARG  18          HH21      ARG  18  -5.548  13.676 -10.706
  144   HH22  ARG  18          HH22      ARG  18  -4.572  13.129 -12.026
  145    H    LEU  19           H        LEU  19 -10.394  10.601  -7.301
  146    HA   LEU  19           HA       LEU  19 -11.829   8.702  -5.773
  147    HB2  LEU  19           HB2      LEU  19 -12.307  11.159  -6.247
  148    HB3  LEU  19           HB3      LEU  19 -13.018  10.665  -7.780
  149    HG   LEU  19           HG       LEU  19 -13.948   9.795  -5.000
  150   HD11  LEU  19          HD11      LEU  19 -15.835  11.336  -5.370
  151   HD12  LEU  19          HD12      LEU  19 -14.297  12.203  -5.426
  152   HD13  LEU  19          HD13      LEU  19 -15.150  11.817  -6.940
  153   HD21  LEU  19          HD21      LEU  19 -15.216   9.313  -7.732
  154   HD22  LEU  19          HD22      LEU  19 -14.652   8.081  -6.571
  155   HD23  LEU  19          HD23      LEU  19 -16.049   9.074  -6.180
  156    H    GLY  20           H        GLY  20 -12.035   6.617  -6.334
  157    HA2  GLY  20           HA2      GLY  20 -12.920   4.773  -7.404
  158    HA3  GLY  20           HA3      GLY  20 -13.566   5.828  -8.680
  159    H    TYR  21           H        TYR  21 -10.101   6.097  -8.183
  160    HA   TYR  21           HA       TYR  21  -9.439   4.138 -10.227
  161    HB2  TYR  21           HB2      TYR  21 -10.436   5.993 -11.521
  162    HB3  TYR  21           HB3      TYR  21  -9.305   7.117 -10.780
  163    HD1  TYR  21           HD2      TYR  21  -9.050   3.794 -12.596
  164    HD2  TYR  21           HD1      TYR  21  -7.741   7.891 -12.285
  165    HE1  TYR  21           HE2      TYR  21  -7.567   3.473 -14.564
  166    HE2  TYR  21           HE1      TYR  21  -6.319   7.592 -14.292
  167    HH   TYR  21           HH       TYR  21  -6.130   4.497 -16.082
  168    H    GLU  22           H        GLU  22  -7.302   3.695 -10.467
  169    HA   GLU  22           HA       GLU  22  -5.333   5.035  -8.650
  170    HB2  GLU  22           HB2      GLU  22  -5.117   2.218  -9.765
  171    HB3  GLU  22           HB3      GLU  22  -4.045   3.029  -8.635
  172    HG2  GLU  22           HG2      GLU  22  -5.328   1.517  -7.349
  173    HG3  GLU  22           HG3      GLU  22  -5.926   3.134  -6.972
  174    H    HIS  23           H        HIS  23  -3.541   5.922  -9.615
  175    HA   HIS  23           HA       HIS  23  -3.133   5.533 -12.540
  176    HB2  HIS  23           HB2      HIS  23  -4.888   7.287 -11.997
  177    HB3  HIS  23           HB3      HIS  23  -3.640   8.213 -11.195
  178    HD1  HIS  23           HD1      HIS  23  -4.084   6.633 -14.745
  179    HD2  HIS  23           HD2      HIS  23  -2.792  10.080 -12.740
  180    HE1  HIS  23           HE1      HIS  23  -3.402   8.288 -16.542
  181    H    TRP  24           H        TRP  24  -1.101   6.496 -13.354
  182    HA   TRP  24           HA       TRP  24   0.981   6.943 -11.285
  183    HB2  TRP  24           HB2      TRP  24   1.045   4.724 -13.362
  184    HB3  TRP  24           HB3      TRP  24   2.443   5.284 -12.457
  185    HD1  TRP  24           HD1      TRP  24   2.818   4.475 -10.065
  186    HE1  TRP  24           HE1      TRP  24   1.711   2.694  -8.560
  187    HE3  TRP  24           HE3      TRP  24  -1.404   3.584 -12.813
  188    HZ2  TRP  24           HZ2      TRP  24  -0.742   1.202  -8.489
  189    HZ3  TRP  24           HZ3      TRP  24  -3.133   2.032 -11.980
  190    HH2  TRP  24           HH2      TRP  24  -2.822   0.837  -9.815
  191    H    ALA  25           H        ALA  25   2.939   7.777 -12.006
  192    HA   ALA  25           HA       ALA  25   3.152   8.704 -14.829
  193    HB1  ALA  25           HB1      ALA  25   1.988  10.519 -13.535
  194    HB2  ALA  25           HB2      ALA  25   3.386  10.608 -12.444
  195    HB3  ALA  25           HB3      ALA  25   3.576  11.008 -14.161
  196    H    LEU  26           H        LEU  26   5.252   9.219 -15.508
  197    HA   LEU  26           HA       LEU  26   7.502   8.182 -13.844
  198    HB2  LEU  26           HB2      LEU  26   6.943   7.558 -16.328
  199    HB3  LEU  26           HB3      LEU  26   7.526   9.148 -16.749
  200    HG   LEU  26           HG       LEU  26   9.203   7.497 -17.185
  201   HD11  LEU  26          HD11      LEU  26   9.993   9.691 -16.274
  202   HD12  LEU  26          HD12      LEU  26  10.176   8.916 -14.678
  203   HD13  LEU  26          HD13      LEU  26  11.130   8.350 -16.057
  204   HD21  LEU  26          HD21      LEU  26   9.161   6.708 -14.242
  205   HD22  LEU  26          HD22      LEU  26   8.383   5.780 -15.548
  206   HD23  LEU  26          HD23      LEU  26  10.143   5.990 -15.522
  207    H    TYR  27           H        TYR  27   8.586   9.685 -12.611
  208    HA   TYR  27           HA       TYR  27   8.247  12.568 -13.154
  209    HB2  TYR  27           HB2      TYR  27   8.066  11.648 -10.881
  210    HB3  TYR  27           HB3      TYR  27   9.729  11.094 -10.957
  211    HD1  TYR  27           HD2      TYR  27   7.515  14.053 -10.640
  212    HD2  TYR  27           HD1      TYR  27  11.581  12.677 -10.793
  213    HE1  TYR  27           HE2      TYR  27   8.287  16.256  -9.785
  214    HE2  TYR  27           HE1      TYR  27  12.359  14.839  -9.834
  215    HH   TYR  27           HH       TYR  27  11.735  16.913  -9.037
  216    H    ILE  28           H        ILE  28   9.677  13.949 -14.023
  217    HA   ILE  28           HA       ILE  28  12.255  12.731 -15.026
  218    HB   ILE  28           HB       ILE  28  11.991  13.966 -17.050
  219   HG12  ILE  28          HG12      ILE  28   9.251  14.923 -16.138
  220   HG13  ILE  28          HG13      ILE  28  10.701  15.933 -16.054
  221   HG21  ILE  28          HG21      ILE  28   9.334  12.538 -16.544
  222   HG22  ILE  28          HG22      ILE  28  10.277  12.625 -18.045
  223   HG23  ILE  28          HG23      ILE  28  10.885  11.693 -16.684
  224   HD11  ILE  28          HD11      ILE  28   9.442  16.409 -18.084
  225   HD12  ILE  28          HD12      ILE  28  11.021  15.694 -18.497
  226   HD13  ILE  28          HD13      ILE  28   9.541  14.717 -18.593
  227    H    GLY  29           H        GLY  29  11.396  14.951 -12.780
  228    HA2  GLY  29           HA2      GLY  29  13.102  16.169 -11.582
  229    HA3  GLY  29           HA3      GLY  29  13.985  16.444 -13.087
  230    H    ASP  30           H        ASP  30  13.536  18.470 -11.358
  231    HA   ASP  30           HA       ASP  30  12.880  20.605 -11.165
  232    HB2  ASP  30           HB2      ASP  30  13.830  20.486 -13.501
  233    HB3  ASP  30           HB3      ASP  30  12.179  20.443 -14.118
  234    H    GLY  31           H        GLY  31  10.747  18.523 -10.798
  235    HA2  GLY  31           HA2      GLY  31   8.598  18.650  -9.902
  236    HA3  GLY  31           HA3      GLY  31   8.392  20.287 -10.563
  237    H    TYR  32           H        TYR  32   9.516  18.292 -13.064
  238    HA   TYR  32           HA       TYR  32   6.771  18.113 -14.155
  239    HB2  TYR  32           HB2      TYR  32   9.508  18.053 -15.445
  240    HB3  TYR  32           HB3      TYR  32   8.044  17.646 -16.322
  241    HD1  TYR  32           HD2      TYR  32   6.343  19.303 -16.863
  242    HD2  TYR  32           HD1      TYR  32   9.912  20.387 -14.715
  243    HE1  TYR  32           HE2      TYR  32   5.876  21.703 -17.310
  244    HE2  TYR  32           HE1      TYR  32   9.468  22.788 -15.171
  245    HH   TYR  32           HH       TYR  32   6.578  23.891 -17.009
  246    H    VAL  33           H        VAL  33   5.950  16.384 -15.257
  247    HA   VAL  33           HA       VAL  33   7.133  13.683 -14.801
  248    HB   VAL  33           HB       VAL  33   4.832  12.815 -14.360
  249   HG11  VAL  33          HG11      VAL  33   5.846  14.780 -12.290
  250   HG12  VAL  33          HG12      VAL  33   4.643  13.504 -12.002
  251   HG13  VAL  33          HG13      VAL  33   6.285  13.062 -12.461
  252   HG21  VAL  33          HG21      VAL  33   3.539  14.782 -15.267
  253   HG22  VAL  33          HG22      VAL  33   3.023  14.238 -13.659
  254   HG23  VAL  33          HG23      VAL  33   4.015  15.695 -13.826
  255    H    ILE  34           H        ILE  34   6.278  12.068 -16.206
  256    HA   ILE  34           HA       ILE  34   4.726  13.036 -18.583
  257    HB   ILE  34           HB       ILE  34   7.171  11.237 -18.455
  258   HG12  ILE  34          HG12      ILE  34   6.344  13.539 -20.280
  259   HG13  ILE  34          HG13      ILE  34   7.379  13.702 -18.865
  260   HG21  ILE  34          HG21      ILE  34   5.487   9.913 -19.701
  261   HG22  ILE  34          HG22      ILE  34   5.047  11.337 -20.674
  262   HG23  ILE  34          HG23      ILE  34   6.632  10.567 -20.850
  263   HD11  ILE  34          HD11      ILE  34   8.069  12.186 -21.410
  264   HD12  ILE  34          HD12      ILE  34   8.748  13.710 -20.845
  265   HD13  ILE  34          HD13      ILE  34   9.074  12.222 -19.944
  266    H    HIS  35           H        HIS  35   2.843  11.904 -18.941
  267    HA   HIS  35           HA       HIS  35   2.476   9.273 -17.710
  268    HB2  HIS  35           HB2      HIS  35   0.843   9.758 -16.159
  269    HB3  HIS  35           HB3      HIS  35   1.979  11.075 -15.920
  270    HD1  HIS  35           HD1      HIS  35  -1.522  10.726 -15.748
  271    HD2  HIS  35           HD2      HIS  35   1.044  13.280 -17.919
  272    HE1  HIS  35           HE1      HIS  35  -2.865  12.808 -16.299
  273    H    LEU  36           H        LEU  36   0.372   8.289 -18.333
  274    HA   LEU  36           HA       LEU  36  -0.484   9.099 -21.041
  275    HB2  LEU  36           HB2      LEU  36  -0.035   6.718 -20.466
  276    HB3  LEU  36           HB3      LEU  36  -1.226   6.812 -19.161
  277    HG   LEU  36           HG       LEU  36  -3.001   7.241 -20.853
  278   HD11  LEU  36          HD11      LEU  36  -2.534   6.756 -23.243
  279   HD12  LEU  36          HD12      LEU  36  -1.583   8.134 -22.700
  280   HD13  LEU  36          HD13      LEU  36  -0.809   6.547 -22.873
  281   HD21  LEU  36          HD21      LEU  36  -3.141   4.913 -21.606
  282   HD22  LEU  36          HD22      LEU  36  -1.422   4.669 -21.198
  283   HD23  LEU  36          HD23      LEU  36  -2.622   5.028 -19.932
  284    H    ALA  37           H        ALA  37  -1.989  10.743 -21.180
  285    HA   ALA  37           HA       ALA  37  -3.203  11.747 -18.795
  286    HB1  ALA  37           HB1      ALA  37  -4.049  13.507 -20.295
  287    HB2  ALA  37           HB2      ALA  37  -2.320  13.172 -20.551
  288    HB3  ALA  37           HB3      ALA  37  -3.521  12.567 -21.711
  289    HA   PRO  38           HA       PRO  38  -6.726   9.041 -19.345
  290    HB2  PRO  38           HB2      PRO  38  -8.010   9.370 -16.962
  291    HB3  PRO  38           HB3      PRO  38  -6.433   8.531 -17.105
  292    HG2  PRO  38           HG2      PRO  38  -6.948  11.398 -16.288
  293    HG3  PRO  38           HG3      PRO  38  -5.869  10.193 -15.517
  294    HD2  PRO  38           HD2      PRO  38  -4.980  12.088 -17.306
  295    HD3  PRO  38           HD3      PRO  38  -4.215  10.482 -17.137
  296    HA   PRO  39           HA       PRO  39  -9.859  12.023 -20.724
  297    HB2  PRO  39           HB2      PRO  39 -11.825  10.329 -21.568
  298    HB3  PRO  39           HB3      PRO  39 -10.293  10.564 -22.468
  299    HG2  PRO  39           HG2      PRO  39 -10.997   8.355 -20.512
  300    HG3  PRO  39           HG3      PRO  39 -10.235   8.204 -22.131
  301    HD2  PRO  39           HD2      PRO  39  -8.784   8.203 -19.826
  302    HD3  PRO  39           HD3      PRO  39  -8.159   8.930 -21.337
  303    H    SER  40           H        SER  40 -11.504  13.105 -19.656
  304    HA   SER  40           HA       SER  40 -12.152  12.146 -16.964
  305    HB2  SER  40           HB2      SER  40 -13.033  14.456 -16.720
  306    HB3  SER  40           HB3      SER  40 -11.342  14.380 -17.248
  307    HG   SER  40           HG       SER  40 -12.569  15.929 -18.467
  308    H    GLU  41           H        GLU  41 -13.964  12.664 -19.966
  309    HA   GLU  41           HA       GLU  41 -16.393  11.425 -18.821
  310    HB2  GLU  41           HB2      GLU  41 -16.368  14.169 -20.164
  311    HB3  GLU  41           HB3      GLU  41 -17.811  13.210 -19.849
  312    HG2  GLU  41           HG2      GLU  41 -17.291  13.291 -17.389
  313    HG3  GLU  41           HG3      GLU  41 -15.964  14.402 -17.751
  314    H    TYR  42           H        TYR  42 -17.780  10.523 -20.418
  315    HA   TYR  42           HA       TYR  42 -16.481   9.719 -22.860
  316    HB2  TYR  42           HB2      TYR  42 -19.337   9.331 -21.902
  317    HB3  TYR  42           HB3      TYR  42 -18.617   8.512 -23.273
  318    HD1  TYR  42           HD1      TYR  42 -16.175   7.363 -22.616
  319    HD2  TYR  42           HD2      TYR  42 -19.525   8.014 -19.974
  320    HE1  TYR  42           HE1      TYR  42 -15.381   5.519 -21.163
  321    HE2  TYR  42           HE2      TYR  42 -18.730   6.173 -18.510
  322    HH   TYR  42           HH       TYR  42 -17.125   4.546 -18.164
  323    HA   PRO  43           HA       PRO  43 -18.005  12.697 -25.806
  324    HB2  PRO  43           HB2      PRO  43 -18.745  10.407 -27.616
  325    HB3  PRO  43           HB3      PRO  43 -17.723  11.838 -27.960
  326    HG2  PRO  43           HG2      PRO  43 -16.593   9.419 -27.529
  327    HG3  PRO  43           HG3      PRO  43 -15.876  10.888 -26.788
  328    HD2  PRO  43           HD2      PRO  43 -17.773   8.889 -25.515
  329    HD3  PRO  43           HD3      PRO  43 -16.224   9.513 -24.889
  330    H    GLY  44           H        GLY  44 -20.150   9.933 -25.095
  331    HA2  GLY  44           HA2      GLY  44 -22.547  11.699 -25.293
  332    HA3  GLY  44           HA3      GLY  44 -22.526  10.139 -26.112
  333    H    ALA  45           H        ALA  45 -24.499  10.294 -24.545
  334    HA   ALA  45           HA       ALA  45 -23.846   8.691 -22.091
  335    HB1  ALA  45           HB1      ALA  45 -25.919  10.917 -22.381
  336    HB2  ALA  45           HB2      ALA  45 -25.582   9.970 -20.916
  337    HB3  ALA  45           HB3      ALA  45 -24.347  11.067 -21.554
  338    H    GLY  46           H        GLY  46 -25.329   8.440 -25.039
  339    HA2  GLY  46           HA2      GLY  46 -27.776   6.991 -24.215
  340    HA3  GLY  46           HA3      GLY  46 -27.234   7.341 -25.867
  341    H    SER  47           H        SER  47 -28.090   5.028 -25.917
  342    HA   SER  47           HA       SER  47 -26.579   2.866 -24.839
  343    HB2  SER  47           HB2      SER  47 -28.387   2.885 -27.279
  344    HB3  SER  47           HB3      SER  47 -27.926   1.473 -26.310
  345    HG   SER  47           HG       SER  47 -30.016   2.279 -25.713
  346    H    SER  48           H        SER  48 -25.773   4.848 -27.539
  347    HA   SER  48           HA       SER  48 -24.226   2.944 -29.078
  348    HB2  SER  48           HB2      SER  48 -24.114   5.987 -29.033
  349    HB3  SER  48           HB3      SER  48 -23.470   4.922 -30.294
  350    HG   SER  48           HG       SER  48 -25.556   5.784 -30.844
  351    H    SER  49           H        SER  49 -23.443   2.570 -26.476
  352    HA   SER  49           HA       SER  49 -21.388   4.058 -25.396
  353    HB2  SER  49           HB2      SER  49 -21.886   1.101 -24.954
  354    HB3  SER  49           HB3      SER  49 -21.182   2.253 -23.810
  355    HG   SER  49           HG       SER  49 -23.411   1.882 -23.354
  356    H    VAL  50           H        VAL  50 -20.521   3.407 -28.132
  357    HA   VAL  50           HA       VAL  50 -18.192   1.575 -27.867
  358    HB   VAL  50           HB       VAL  50 -17.842   1.857 -30.256
  359   HG11  VAL  50          HG11      VAL  50 -20.746   1.220 -29.614
  360   HG12  VAL  50          HG12      VAL  50 -19.818   0.675 -31.023
  361   HG13  VAL  50          HG13      VAL  50 -19.370   0.110 -29.408
  362   HG21  VAL  50          HG21      VAL  50 -19.426   3.051 -31.692
  363   HG22  VAL  50          HG22      VAL  50 -20.307   3.655 -30.278
  364   HG23  VAL  50          HG23      VAL  50 -18.638   4.180 -30.591
  365    H    PHE  51           H        PHE  51 -18.206   4.014 -26.311
  366    HA   PHE  51           HA       PHE  51 -16.908   6.221 -27.395
  367    HB2  PHE  51           HB2      PHE  51 -16.680   5.195 -24.544
  368    HB3  PHE  51           HB3      PHE  51 -16.536   6.862 -25.072
  369    HD1  PHE  51           HD1      PHE  51 -18.924   7.187 -26.871
  370    HD2  PHE  51           HD2      PHE  51 -18.521   5.140 -23.095
  371    HE1  PHE  51           HE1      PHE  51 -21.332   7.541 -26.419
  372    HE2  PHE  51           HE2      PHE  51 -20.927   5.514 -22.641
  373    HZ   PHE  51           HZ       PHE  51 -22.335   6.723 -24.295
  374    H    SER  52           H        SER  52 -15.366   3.286 -26.105
  375    HA   SER  52           HA       SER  52 -12.695   4.174 -26.006
  376    HB2  SER  52           HB2      SER  52 -13.703   1.389 -26.682
  377    HB3  SER  52           HB3      SER  52 -12.132   1.816 -25.976
  378    HG   SER  52           HG       SER  52 -13.662   1.126 -24.367
  379    H    VAL  53           H        VAL  53 -14.573   3.585 -28.881
  380    HA   VAL  53           HA       VAL  53 -12.085   3.824 -30.542
  381    HB   VAL  53           HB       VAL  53 -13.260   2.734 -32.400
  382   HG11  VAL  53          HG11      VAL  53 -13.140   1.003 -29.901
  383   HG12  VAL  53          HG12      VAL  53 -13.064   0.454 -31.591
  384   HG13  VAL  53          HG13      VAL  53 -11.760   1.451 -30.930
  385   HG21  VAL  53          HG21      VAL  53 -15.417   1.913 -30.416
  386   HG22  VAL  53          HG22      VAL  53 -15.638   3.175 -31.650
  387   HG23  VAL  53          HG23      VAL  53 -15.315   1.504 -32.129
  388    H    LEU  54           H        LEU  54 -13.937   5.904 -29.283
  389    HA   LEU  54           HA       LEU  54 -14.383   7.542 -31.752
  390    HB2  LEU  54           HB2      LEU  54 -15.930   7.597 -29.120
  391    HB3  LEU  54           HB3      LEU  54 -16.165   8.726 -30.453
  392    HG   LEU  54           HG       LEU  54 -16.727   5.745 -30.607
  393   HD11  LEU  54          HD11      LEU  54 -18.308   6.941 -29.154
  394   HD12  LEU  54          HD12      LEU  54 -18.575   8.169 -30.410
  395   HD13  LEU  54          HD13      LEU  54 -19.102   6.493 -30.672
  396   HD21  LEU  54          HD21      LEU  54 -17.848   6.325 -32.752
  397   HD22  LEU  54          HD22      LEU  54 -17.214   7.979 -32.628
  398   HD23  LEU  54          HD23      LEU  54 -16.110   6.602 -32.827
  399    H    SER  55           H        SER  55 -14.797   9.936 -30.107
  400    HA   SER  55           HA       SER  55 -12.056  10.825 -29.877
  401    HB2  SER  55           HB2      SER  55 -13.295  12.994 -29.288
  402    HB3  SER  55           HB3      SER  55 -13.555  12.295 -30.887
  403    HG   SER  55           HG       SER  55 -15.540  12.962 -29.886
  404    H    ASN  56           H        ASN  56 -11.993   8.904 -28.077
  405    HA   ASN  56           HA       ASN  56 -11.827  10.310 -25.484
  406    HB2  ASN  56           HB2      ASN  56 -14.124   8.923 -26.115
  407    HB3  ASN  56           HB3      ASN  56 -13.192   7.652 -25.329
  408   HD21  ASN  56          HD22      ASN  56 -13.833  11.200 -24.879
  409   HD22  ASN  56          HD21      ASN  56 -14.258  11.050 -23.175
  410    H    SER  57           H        SER  57  -9.818   9.050 -27.364
  411    HA   SER  57           HA       SER  57  -8.588   6.921 -25.773
  412    HB2  SER  57           HB2      SER  57  -7.393   8.686 -27.932
  413    HB3  SER  57           HB3      SER  57  -6.673   7.212 -27.258
  414    HG   SER  57           HG       SER  57  -7.808   6.810 -29.258
  415    H    ALA  58           H        ALA  58  -6.472   7.106 -24.766
  416    HA   ALA  58           HA       ALA  58  -5.946   9.675 -23.317
  417    HB1  ALA  58           HB1      ALA  58  -4.913   6.829 -22.903
  418    HB2  ALA  58           HB2      ALA  58  -4.606   8.255 -21.880
  419    HB3  ALA  58           HB3      ALA  58  -6.241   7.583 -21.996
  420    H    GLU  59           H        GLU  59  -3.850  10.602 -23.442
  421    HA   GLU  59           HA       GLU  59  -2.049   9.575 -25.601
  422    HB2  GLU  59           HB2      GLU  59  -3.399  11.615 -26.303
  423    HB3  GLU  59           HB3      GLU  59  -2.551  12.522 -25.025
  424    HG2  GLU  59           HG2      GLU  59  -0.372  11.987 -26.117
  425    HG3  GLU  59           HG3      GLU  59  -1.208  11.013 -27.330
  426    H    VAL  60           H        VAL  60   0.132   9.576 -25.080
  427    HA   VAL  60           HA       VAL  60   0.889  10.070 -22.306
  428    HB   VAL  60           HB       VAL  60   2.652   9.642 -24.716
  429   HG11  VAL  60          HG11      VAL  60   4.392   9.004 -23.053
  430   HG12  VAL  60          HG12      VAL  60   3.871  10.664 -22.777
  431   HG13  VAL  60          HG13      VAL  60   3.255   9.384 -21.730
  432   HG21  VAL  60          HG21      VAL  60   1.660   7.635 -22.637
  433   HG22  VAL  60          HG22      VAL  60   1.180   7.680 -24.344
  434   HG23  VAL  60          HG23      VAL  60   2.843   7.298 -23.917
  435    H    LYS  61           H        LYS  61   1.335  11.999 -21.440
  436    HA   LYS  61           HA       LYS  61   2.271  14.282 -23.156
  437    HB2  LYS  61           HB2      LYS  61  -0.040  14.220 -21.164
  438    HB3  LYS  61           HB3      LYS  61   0.670  15.709 -21.799
  439    HG2  LYS  61           HG2      LYS  61   0.071  15.031 -24.114
  440    HG3  LYS  61           HG3      LYS  61  -0.705  13.564 -23.481
  441    HD2  LYS  61           HD2      LYS  61  -2.219  14.940 -22.106
  442    HD3  LYS  61           HD3      LYS  61  -1.481  16.420 -22.716
  443    HE2  LYS  61           HE2      LYS  61  -3.099  14.374 -24.307
  444    HE3  LYS  61           HE3      LYS  61  -3.658  15.935 -23.726
  445    HZ1  LYS  61           HZ1      LYS  61  -1.855  16.955 -25.155
  446    HZ2  LYS  61           HZ2      LYS  61  -1.648  15.472 -25.865
  447    HZ3  LYS  61           HZ3      LYS  61  -3.072  16.246 -25.978
  448    H    ARG  62           H        ARG  62   3.365  15.962 -22.092
  449    HA   ARG  62           HA       ARG  62   4.736  15.273 -19.521
  450    HB2  ARG  62           HB2      ARG  62   6.151  15.673 -21.510
  451    HB3  ARG  62           HB3      ARG  62   5.422  17.260 -21.731
  452    HG2  ARG  62           HG2      ARG  62   6.338  17.945 -19.478
  453    HG3  ARG  62           HG3      ARG  62   7.138  16.373 -19.357
  454    HD2  ARG  62           HD2      ARG  62   8.453  16.858 -21.377
  455    HD3  ARG  62           HD3      ARG  62   7.586  18.370 -21.637
  456    HE   ARG  62           HE       ARG  62   9.781  17.877 -19.801
  457   HH11  ARG  62          HH22      ARG  62   7.125  20.134 -20.457
  458   HH12  ARG  62          HH21      ARG  62   7.849  21.384 -19.492
  459   HH21  ARG  62          HH11      ARG  62  10.635  19.533 -18.562
  460   HH22  ARG  62          HH12      ARG  62   9.796  21.044 -18.436
  461    H    GLU  63           H        GLU  63   4.084  16.379 -17.701
  462    HA   GLU  63           HA       GLU  63   3.245  19.201 -17.837
  463    HB2  GLU  63           HB2      GLU  63   1.360  16.984 -16.945
  464    HB3  GLU  63           HB3      GLU  63   1.205  18.642 -16.361
  465    HG2  GLU  63           HG2      GLU  63   1.130  19.359 -18.835
  466    HG3  GLU  63           HG3      GLU  63   0.870  17.643 -19.198
  467    H    ARG  64           H        ARG  64   2.774  19.964 -15.436
  468    HA   ARG  64           HA       ARG  64   5.031  19.091 -13.799
  469    HB2  ARG  64           HB2      ARG  64   2.831  21.108 -13.280
  470    HB3  ARG  64           HB3      ARG  64   4.129  20.725 -12.140
  471    HG2  ARG  64           HG2      ARG  64   5.803  21.305 -13.961
  472    HG3  ARG  64           HG3      ARG  64   4.455  21.887 -14.936
  473    HD2  ARG  64           HD2      ARG  64   5.445  23.800 -13.848
  474    HD3  ARG  64           HD3      ARG  64   3.857  23.507 -13.144
  475    HE   ARG  64           HE       ARG  64   4.840  23.187 -11.088
  476   HH11  ARG  64          HH11      ARG  64   7.475  22.658 -13.423
  477   HH12  ARG  64          HH12      ARG  64   8.635  22.402 -12.152
  478   HH21  ARG  64          HH21      ARG  64   6.275  22.975  -9.615
  479   HH22  ARG  64          HH22      ARG  64   7.987  22.715  -9.953
  480    H    LEU  65           H        LEU  65   5.025  18.003 -11.909
  481    HA   LEU  65           HA       LEU  65   3.212  15.935 -11.327
  482    HB2  LEU  65           HB2      LEU  65   5.495  16.083 -10.426
  483    HB3  LEU  65           HB3      LEU  65   5.104  17.537  -9.521
  484    HG   LEU  65           HG       LEU  65   3.571  16.256  -8.058
  485   HD11  LEU  65          HD11      LEU  65   2.873  14.470  -9.659
  486   HD12  LEU  65          HD12      LEU  65   4.522  13.808  -9.619
  487   HD13  LEU  65          HD13      LEU  65   3.510  13.796  -8.157
  488   HD21  LEU  65          HD21      LEU  65   5.956  16.501  -7.450
  489   HD22  LEU  65          HD22      LEU  65   5.317  14.945  -6.891
  490   HD23  LEU  65          HD23      LEU  65   6.344  15.014  -8.342
  491    H    GLU  66           H        GLU  66   3.356  19.137  -9.769
  492    HA   GLU  66           HA       GLU  66   1.196  19.117  -8.059
  493    HB2  GLU  66           HB2      GLU  66   1.735  21.524  -9.851
  494    HB3  GLU  66           HB3      GLU  66   1.156  21.492  -8.186
  495    HG2  GLU  66           HG2      GLU  66   3.402  20.666  -7.481
  496    HG3  GLU  66           HG3      GLU  66   3.909  20.710  -9.186
  497    H    ASP  67           H        ASP  67   1.060  20.191 -11.491
  498    HA   ASP  67           HA       ASP  67  -1.738  20.502 -11.514
  499    HB2  ASP  67           HB2      ASP  67   0.292  20.220 -13.757
  500    HB3  ASP  67           HB3      ASP  67  -1.422  20.493 -14.061
  501    H    VAL  68           H        VAL  68   0.272  17.711 -12.398
  502    HA   VAL  68           HA       VAL  68  -1.840  16.135 -13.499
  503    HB   VAL  68           HB       VAL  68   0.934  15.454 -12.529
  504   HG11  VAL  68          HG11      VAL  68   0.668  13.215 -13.614
  505   HG12  VAL  68          HG12      VAL  68  -0.304  13.387 -12.148
  506   HG13  VAL  68          HG13      VAL  68  -1.081  13.509 -13.745
  507   HG21  VAL  68          HG21      VAL  68  -0.426  15.566 -15.267
  508   HG22  VAL  68          HG22      VAL  68   0.760  16.719 -14.636
  509   HG23  VAL  68          HG23      VAL  68   1.241  15.055 -15.012
  510    H    VAL  69           H        VAL  69  -0.410  16.154 -10.133
  511    HA   VAL  69           HA       VAL  69  -2.221  14.121  -9.263
  512    HB   VAL  69           HB       VAL  69  -1.480  14.583  -7.052
  513   HG11  VAL  69          HG11      VAL  69  -0.117  13.138  -8.356
  514   HG12  VAL  69          HG12      VAL  69   0.733  14.499  -9.105
  515   HG13  VAL  69          HG13      VAL  69   0.967  14.149  -7.391
  516   HG21  VAL  69          HG21      VAL  69  -0.018  17.012  -8.094
  517   HG22  VAL  69          HG22      VAL  69  -1.285  16.966  -6.856
  518   HG23  VAL  69          HG23      VAL  69   0.296  16.257  -6.534
  519    H    GLY  70           H        GLY  70  -2.384  17.726  -9.124
  520    HA2  GLY  70           HA2      GLY  70  -4.155  19.131  -8.664
  521    HA3  GLY  70           HA3      GLY  70  -5.221  17.789  -9.106
  522    H    GLY  71           H        GLY  71  -6.713  17.591  -7.587
  523    HA2  GLY  71           HA2      GLY  71  -6.174  17.942  -4.701
  524    HA3  GLY  71           HA3      GLY  71  -7.742  17.649  -5.489
  525    H    CYS  72           H        CYS  72  -5.534  15.350  -6.631
  526    HA   CYS  72           HA       CYS  72  -6.821  13.198  -5.078
  527    HB2  CYS  72           HB2      CYS  72  -4.696  13.112  -7.270
  528    HB3  CYS  72           HB3      CYS  72  -5.559  11.724  -6.607
  529    HG   CYS  72           HG       CYS  72  -7.007  14.428  -7.925
  530    H    CYS  73           H        CYS  73  -5.599  11.552  -3.959
  531    HA   CYS  73           HA       CYS  73  -3.288  12.554  -2.407
  532    HB2  CYS  73           HB2      CYS  73  -4.843   9.925  -2.386
  533    HB3  CYS  73           HB3      CYS  73  -3.448  10.259  -1.347
  534    HG   CYS  73           HG       CYS  73  -6.238  12.068  -1.592
  535    H    TYR  74           H        TYR  74  -1.173  11.564  -2.487
  536    HA   TYR  74           HA       TYR  74  -0.536   9.640  -4.556
  537    HB2  TYR  74           HB2      TYR  74   0.715  10.979  -6.048
  538    HB3  TYR  74           HB3      TYR  74  -0.814  11.803  -5.864
  539    HD1  TYR  74           HD2      TYR  74  -0.941  13.843  -4.288
  540    HD2  TYR  74           HD1      TYR  74   2.774  12.063  -5.573
  541    HE1  TYR  74           HE2      TYR  74   0.262  15.916  -3.655
  542    HE2  TYR  74           HE1      TYR  74   3.982  14.146  -4.952
  543    HH   TYR  74           HH       TYR  74   2.308  17.006  -3.570
  544    H    ARG  75           H        ARG  75   1.756   9.166  -4.769
  545    HA   ARG  75           HA       ARG  75   3.668  10.115  -2.785
  546    HB2  ARG  75           HB2      ARG  75   4.009   7.956  -1.651
  547    HB3  ARG  75           HB3      ARG  75   2.379   8.554  -1.388
  548    HG2  ARG  75           HG2      ARG  75   1.551   6.988  -3.184
  549    HG3  ARG  75           HG3      ARG  75   3.203   6.358  -3.347
  550    HD2  ARG  75           HD2      ARG  75   3.155   5.693  -0.935
  551    HD3  ARG  75           HD3      ARG  75   1.479   6.279  -0.832
  552    HE   ARG  75           HE       ARG  75   1.772   4.409  -3.013
  553   HH11  ARG  75          HH11      ARG  75   1.540   4.311   0.537
  554   HH12  ARG  75          HH12      ARG  75   0.953   2.674   0.501
  555   HH21  ARG  75          HH21      ARG  75   1.098   2.462  -2.991
  556   HH22  ARG  75          HH22      ARG  75   0.686   1.586  -1.515
  557    H    VAL  76           H        VAL  76   5.806   9.125  -3.067
  558    HA   VAL  76           HA       VAL  76   6.259   8.148  -5.849
  559    HB   VAL  76           HB       VAL  76   7.680   9.987  -4.993
  560   HG11  VAL  76          HG11      VAL  76   9.600   9.552  -3.586
  561   HG12  VAL  76          HG12      VAL  76   8.127   9.207  -2.674
  562   HG13  VAL  76          HG13      VAL  76   9.099   7.874  -3.325
  563   HG21  VAL  76          HG21      VAL  76   9.724   9.119  -6.016
  564   HG22  VAL  76          HG22      VAL  76   9.131   7.452  -5.863
  565   HG23  VAL  76          HG23      VAL  76   8.304   8.612  -6.926
  566    H    ASN  77           H        ASN  77   6.799   6.052  -6.303
  567    HA   ASN  77           HA       ASN  77   7.360   4.113  -4.155
  568    HB2  ASN  77           HB2      ASN  77   4.926   4.471  -3.945
  569    HB3  ASN  77           HB3      ASN  77   4.703   4.114  -5.652
  570   HD21  ASN  77          HD22      ASN  77   3.134   2.506  -4.495
  571   HD22  ASN  77          HD21      ASN  77   3.832   0.939  -4.116
  572    H    ASN  78           H        ASN  78   9.240   3.723  -5.321
  573    HA   ASN  78           HA       ASN  78   9.191   2.798  -8.079
  574    HB2  ASN  78           HB2      ASN  78  11.400   2.938  -5.993
  575    HB3  ASN  78           HB3      ASN  78  11.646   2.385  -7.647
  576   HD21  ASN  78          HD22      ASN  78  13.121   4.533  -6.722
  577   HD22  ASN  78          HD21      ASN  78  12.601   5.947  -7.634
  578    H    SER  79           H        SER  79   7.419   1.153  -7.251
  579    HA   SER  79           HA       SER  79   8.127  -1.209  -5.853
  580    HB2  SER  79           HB2      SER  79   6.058  -2.113  -6.959
  581    HB3  SER  79           HB3      SER  79   5.837  -0.546  -6.160
  582    HG   SER  79           HG       SER  79   4.901  -0.604  -8.299
  583    H    LEU  80           H        LEU  80   8.345  -0.449  -9.320
  584    HA   LEU  80           HA       LEU  80   8.888  -3.069 -10.246
  585    HB2  LEU  80           HB2      LEU  80   9.826  -0.498 -11.549
  586    HB3  LEU  80           HB3      LEU  80   9.499  -2.065 -12.309
  587    HG   LEU  80           HG       LEU  80   7.400  -0.212 -11.088
  588   HD11  LEU  80          HD11      LEU  80   6.723   0.164 -13.425
  589   HD12  LEU  80          HD12      LEU  80   8.390   0.677 -13.150
  590   HD13  LEU  80          HD13      LEU  80   8.078  -0.858 -13.985
  591   HD21  LEU  80          HD21      LEU  80   6.679  -2.545 -10.887
  592   HD22  LEU  80          HD22      LEU  80   5.765  -1.748 -12.177
  593   HD23  LEU  80          HD23      LEU  80   7.095  -2.849 -12.595
  594    H    ASP  81           H        ASP  81  10.994  -0.998  -8.486
  595    HA   ASP  81           HA       ASP  81  13.521  -2.015  -9.445
  596    HB2  ASP  81           HB2      ASP  81  12.980  -0.009  -7.840
  597    HB3  ASP  81           HB3      ASP  81  12.919  -1.259  -6.577
  598    H    HIS  82           H        HIS  82  11.017  -3.372  -7.473
  599    HA   HIS  82           HA       HIS  82  12.679  -5.659  -6.559
  600    HB2  HIS  82           HB2      HIS  82  11.036  -4.235  -5.169
  601    HB3  HIS  82           HB3      HIS  82   9.741  -5.081  -6.026
  602    HD1  HIS  82           HD1      HIS  82  10.750  -8.059  -5.872
  603    HD2  HIS  82           HD2      HIS  82  11.074  -5.224  -2.783
  604    HE1  HIS  82           HE1      HIS  82  10.936  -9.389  -3.692
  605    H    GLU  83           H        GLU  83  11.105  -4.817  -9.372
  606    HA   GLU  83           HA       GLU  83  10.211  -7.576 -10.071
  607    HB2  GLU  83           HB2      GLU  83   9.728  -4.904 -11.475
  608    HB3  GLU  83           HB3      GLU  83   9.254  -6.481 -12.093
  609    HG2  GLU  83           HG2      GLU  83   8.261  -5.213  -9.507
  610    HG3  GLU  83           HG3      GLU  83   7.376  -5.300 -11.027
  611    H    TYR  84           H        TYR  84  12.235  -4.879 -11.226
  612    HA   TYR  84           HA       TYR  84  13.800  -6.766 -12.949
  613    HB2  TYR  84           HB2      TYR  84  13.334  -3.822 -13.462
  614    HB3  TYR  84           HB3      TYR  84  13.927  -5.035 -14.590
  615    HD1  TYR  84           HD2      TYR  84  12.214  -7.101 -14.982
  616    HD2  TYR  84           HD1      TYR  84  11.115  -3.171 -13.603
  617    HE1  TYR  84           HE2      TYR  84   9.856  -7.525 -15.656
  618    HE2  TYR  84           HE1      TYR  84   8.764  -3.586 -14.269
  619    HH   TYR  84           HH       TYR  84   7.253  -5.104 -15.183
  620    H    GLN  85           H        GLN  85  15.947  -5.923 -13.638
  621    HA   GLN  85           HA       GLN  85  17.679  -5.201 -11.460
  622    HB2  GLN  85           HB2      GLN  85  18.024  -5.394 -14.480
  623    HB3  GLN  85           HB3      GLN  85  19.361  -4.966 -13.430
  624    HG2  GLN  85           HG2      GLN  85  17.748  -7.544 -13.200
  625    HG3  GLN  85           HG3      GLN  85  19.294  -7.397 -14.029
  626   HE21  GLN  85          HE22      GLN  85  18.042  -8.557 -11.186
  627   HE22  GLN  85          HE21      GLN  85  19.424  -8.249 -10.147
  628    HA   PRO  86           HA       PRO  86  17.615  -0.708 -11.799
  629    HB2  PRO  86           HB2      PRO  86  20.224   0.056 -11.476
  630    HB3  PRO  86           HB3      PRO  86  19.186  -0.534 -10.146
  631    HG2  PRO  86           HG2      PRO  86  21.200  -2.108 -11.774
  632    HG3  PRO  86           HG3      PRO  86  20.993  -2.078  -9.994
  633    HD2  PRO  86           HD2      PRO  86  19.938  -4.059 -11.506
  634    HD3  PRO  86           HD3      PRO  86  19.040  -3.407 -10.106
  635    H    ARG  87           H        ARG  87  17.458   0.622 -13.492
  636    HA   ARG  87           HA       ARG  87  18.970   0.007 -16.006
  637    HB2  ARG  87           HB2      ARG  87  16.191   1.234 -15.694
  638    HB3  ARG  87           HB3      ARG  87  16.997   0.865 -17.212
  639    HG2  ARG  87           HG2      ARG  87  15.859  -1.066 -15.171
  640    HG3  ARG  87           HG3      ARG  87  15.359  -0.793 -16.836
  641    HD2  ARG  87           HD2      ARG  87  17.692  -1.686 -17.506
  642    HD3  ARG  87           HD3      ARG  87  17.840  -2.214 -15.815
  643    HE   ARG  87           HE       ARG  87  15.348  -3.109 -16.904
  644   HH11  ARG  87          HH11      ARG  87  18.802  -3.913 -17.092
  645   HH12  ARG  87          HH12      ARG  87  18.486  -5.541 -17.590
  646   HH21  ARG  87          HH21      ARG  87  15.021  -5.243 -17.542
  647   HH22  ARG  87          HH22      ARG  87  16.376  -6.292 -17.805
  648    HA   PRO  88           HA       PRO  88  20.667   4.081 -15.774
  649    HB2  PRO  88           HB2      PRO  88  21.184   4.735 -18.386
  650    HB3  PRO  88           HB3      PRO  88  22.074   3.478 -17.473
  651    HG2  PRO  88           HG2      PRO  88  19.748   3.098 -19.372
  652    HG3  PRO  88           HG3      PRO  88  21.301   2.209 -19.334
  653    HD2  PRO  88           HD2      PRO  88  19.033   1.237 -18.206
  654    HD3  PRO  88           HD3      PRO  88  20.631   0.971 -17.442
  655    H    VAL  89           H        VAL  89  19.520   5.764 -15.114
  656    HA   VAL  89           HA       VAL  89  16.910   6.319 -15.679
  657    HB   VAL  89           HB       VAL  89  18.098   7.181 -13.751
  658   HG11  VAL  89          HG11      VAL  89  19.454   9.200 -13.769
  659   HG12  VAL  89          HG12      VAL  89  20.199   7.994 -14.826
  660   HG13  VAL  89          HG13      VAL  89  19.291   9.357 -15.522
  661   HG21  VAL  89          HG21      VAL  89  16.802   9.480 -15.269
  662   HG22  VAL  89          HG22      VAL  89  15.918   8.192 -14.426
  663   HG23  VAL  89          HG23      VAL  89  16.970   9.314 -13.523
  664    H    GLU  90           H        GLU  90  19.619   7.803 -17.469
  665    HA   GLU  90           HA       GLU  90  18.087   9.693 -18.900
  666    HB2  GLU  90           HB2      GLU  90  19.933   9.801 -20.461
  667    HB3  GLU  90           HB3      GLU  90  20.508   9.744 -18.798
  668    HG2  GLU  90           HG2      GLU  90  21.046   7.297 -19.123
  669    HG3  GLU  90           HG3      GLU  90  20.572   7.458 -20.820
  670    H    VAL  91           H        VAL  91  18.588   6.247 -19.568
  671    HA   VAL  91           HA       VAL  91  17.274   6.321 -22.146
  672    HB   VAL  91           HB       VAL  91  17.785   3.937 -20.350
  673   HG11  VAL  91          HG11      VAL  91  16.021   3.357 -21.944
  674   HG12  VAL  91          HG12      VAL  91  16.976   4.037 -23.288
  675   HG13  VAL  91          HG13      VAL  91  17.534   2.585 -22.422
  676   HG21  VAL  91          HG21      VAL  91  19.674   3.485 -21.918
  677   HG22  VAL  91          HG22      VAL  91  19.338   5.021 -22.745
  678   HG23  VAL  91          HG23      VAL  91  19.892   5.006 -21.056
  679    H    ILE  92           H        ILE  92  16.159   5.646 -18.794
  680    HA   ILE  92           HA       ILE  92  13.450   4.924 -19.479
  681    HB   ILE  92           HB       ILE  92  14.391   6.342 -16.946
  682   HG12  ILE  92          HG12      ILE  92  14.381   3.341 -17.505
  683   HG13  ILE  92          HG13      ILE  92  15.822   4.345 -17.367
  684   HG21  ILE  92          HG21      ILE  92  12.088   4.382 -17.357
  685   HG22  ILE  92          HG22      ILE  92  12.457   5.308 -15.891
  686   HG23  ILE  92          HG23      ILE  92  11.897   6.152 -17.324
  687   HD11  ILE  92          HD11      ILE  92  13.891   3.645 -15.152
  688   HD12  ILE  92          HD12      ILE  92  15.624   3.315 -15.277
  689   HD13  ILE  92          HD13      ILE  92  15.071   4.975 -15.022
  690    H    ILE  93           H        ILE  93  14.848   8.121 -18.619
  691    HA   ILE  93           HA       ILE  93  12.433   9.569 -19.182
  692    HB   ILE  93           HB       ILE  93  15.345  10.384 -18.898
  693   HG12  ILE  93          HG12      ILE  93  12.879  10.802 -17.119
  694   HG13  ILE  93          HG13      ILE  93  14.023   9.478 -16.897
  695   HG21  ILE  93          HG21      ILE  93  14.531  12.764 -18.720
  696   HG22  ILE  93          HG22      ILE  93  14.293  12.096 -20.326
  697   HG23  ILE  93          HG23      ILE  93  12.912  12.222 -19.212
  698   HD11  ILE  93          HD11      ILE  93  14.597  12.427 -16.505
  699   HD12  ILE  93          HD12      ILE  93  14.516  11.141 -15.289
  700   HD13  ILE  93          HD13      ILE  93  15.833  11.142 -16.497
  701    H    SER  94           H        SER  94  15.209   8.758 -21.285
  702    HA   SER  94           HA       SER  94  14.278  10.212 -23.552
  703    HB2  SER  94           HB2      SER  94  15.829   7.597 -23.506
  704    HB3  SER  94           HB3      SER  94  15.605   8.636 -24.917
  705    HG   SER  94           HG       SER  94  17.013   9.210 -22.512
  706    H    SER  95           H        SER  95  13.569   6.852 -22.539
  707    HA   SER  95           HA       SER  95  11.684   6.207 -24.556
  708    HB2  SER  95           HB2      SER  95  12.033   5.340 -21.671
  709    HB3  SER  95           HB3      SER  95  10.739   4.696 -22.716
  710    HG   SER  95           HG       SER  95  12.637   3.371 -22.798
  711    H    ALA  96           H        ALA  96  11.133   7.859 -21.360
  712    HA   ALA  96           HA       ALA  96   8.339   8.161 -21.640
  713    HB1  ALA  96           HB1      ALA  96   8.587   9.791 -19.874
  714    HB2  ALA  96           HB2      ALA  96   9.812   8.545 -19.591
  715    HB3  ALA  96           HB3      ALA  96  10.284  10.099 -20.301
  716    H    LYS  97           H        LYS  97  10.974  10.401 -22.639
  717    HA   LYS  97           HA       LYS  97   9.310  12.371 -23.857
  718    HB2  LYS  97           HB2      LYS  97  12.222  11.571 -24.189
  719    HB3  LYS  97           HB3      LYS  97  11.521  12.960 -25.026
  720    HG2  LYS  97           HG2      LYS  97  10.979  14.072 -22.951
  721    HG3  LYS  97           HG3      LYS  97  11.446  12.658 -21.988
  722    HD2  LYS  97           HD2      LYS  97  13.758  12.842 -22.694
  723    HD3  LYS  97           HD3      LYS  97  13.355  14.150 -23.830
  724    HE2  LYS  97           HE2      LYS  97  12.602  15.571 -21.911
  725    HE3  LYS  97           HE3      LYS  97  13.093  14.301 -20.784
  726    HZ1  LYS  97           HZ1      LYS  97  14.829  15.987 -21.029
  727    HZ2  LYS  97           HZ2      LYS  97  15.399  14.578 -21.634
  728    HZ3  LYS  97           HZ3      LYS  97  14.911  15.770 -22.643
  729    H    GLU  98           H        GLU  98  10.851   9.490 -25.292
  730    HA   GLU  98           HA       GLU  98   9.927   9.989 -27.951
  731    HB2  GLU  98           HB2      GLU  98  10.893   7.489 -26.531
  732    HB3  GLU  98           HB3      GLU  98  10.316   7.458 -28.202
  733    HG2  GLU  98           HG2      GLU  98  11.981   9.141 -28.864
  734    HG3  GLU  98           HG3      GLU  98  12.592   9.228 -27.215
  735    H    MET  99           H        MET  99   8.430   8.299 -25.191
  736    HA   MET  99           HA       MET  99   6.168   7.406 -26.704
  737    HB2  MET  99           HB2      MET  99   6.668   7.601 -23.735
  738    HB3  MET  99           HB3      MET  99   5.190   6.942 -24.459
  739    HG2  MET  99           HG2      MET  99   7.946   5.916 -25.229
  740    HG3  MET  99           HG3      MET  99   7.082   5.259 -23.865
  741    HE1  MET  99           HE1      MET  99   4.369   3.089 -25.230
  742    HE2  MET  99           HE2      MET  99   5.382   3.594 -23.861
  743    HE3  MET  99           HE3      MET  99   4.152   4.703 -24.526
  744    H    VAL 100           H        VAL 100   6.683  10.315 -24.698
  745    HA   VAL 100           HA       VAL 100   4.160  11.471 -24.779
  746    HB   VAL 100           HB       VAL 100   6.833  12.824 -25.163
  747   HG11  VAL 100          HG11      VAL 100   5.682  14.985 -24.652
  748   HG12  VAL 100          HG12      VAL 100   5.234  14.352 -26.237
  749   HG13  VAL 100          HG13      VAL 100   4.117  14.179 -24.861
  750   HG21  VAL 100          HG21      VAL 100   4.843  12.876 -22.854
  751   HG22  VAL 100          HG22      VAL 100   6.241  11.800 -22.938
  752   HG23  VAL 100          HG23      VAL 100   6.485  13.548 -22.875
  753    H    GLY 101           H        GLY 101   2.733  12.070 -26.153
  754    HA2  GLY 101           HA2      GLY 101   1.863  13.025 -28.141
  755    HA3  GLY 101           HA3      GLY 101   3.332  12.560 -29.035
  756    H    GLN 102           H        GLN 102   2.900   9.752 -27.513
  757    HA   GLN 102           HA       GLN 102   1.285   8.628 -29.643
  758    HB2  GLN 102           HB2      GLN 102   2.849   7.250 -27.423
  759    HB3  GLN 102           HB3      GLN 102   2.055   6.463 -28.785
  760    HG2  GLN 102           HG2      GLN 102   3.526   7.775 -30.368
  761    HG3  GLN 102           HG3      GLN 102   4.377   8.447 -28.978
  762   HE21  GLN 102          HE22      GLN 102   6.440   7.465 -28.986
  763   HE22  GLN 102          HE21      GLN 102   6.646   5.729 -29.168
  764    H    LYS 103           H        LYS 103  -0.495   7.261 -29.314
  765    HA   LYS 103           HA       LYS 103  -2.177   7.984 -26.961
  766    HB2  LYS 103           HB2      LYS 103  -2.842   7.270 -29.827
  767    HB3  LYS 103           HB3      LYS 103  -4.050   7.307 -28.537
  768    HG2  LYS 103           HG2      LYS 103  -3.496   9.661 -28.033
  769    HG3  LYS 103           HG3      LYS 103  -2.315   9.672 -29.356
  770    HD2  LYS 103           HD2      LYS 103  -4.075   9.283 -31.012
  771    HD3  LYS 103           HD3      LYS 103  -5.254   8.958 -29.734
  772    HE2  LYS 103           HE2      LYS 103  -5.738  11.129 -30.497
  773    HE3  LYS 103           HE3      LYS 103  -4.984  11.304 -28.904
  774    HZ1  LYS 103           HZ1      LYS 103  -4.192  12.869 -30.708
  775    HZ2  LYS 103           HZ2      LYS 103  -3.002  12.110 -29.910
  776    HZ3  LYS 103           HZ3      LYS 103  -3.440  11.619 -31.435
  777    H    MET 104           H        MET 104  -3.594   6.502 -26.011
  778    HA   MET 104           HA       MET 104  -3.522   3.624 -26.622
  779    HB2  MET 104           HB2      MET 104  -2.808   4.596 -23.820
  780    HB3  MET 104           HB3      MET 104  -2.980   2.928 -24.334
  781    HG2  MET 104           HG2      MET 104  -1.010   3.218 -25.840
  782    HG3  MET 104           HG3      MET 104  -0.777   4.842 -25.169
  783    HE1  MET 104           HE1      MET 104   1.727   4.275 -24.435
  784    HE2  MET 104           HE2      MET 104   2.151   2.720 -23.670
  785    HE3  MET 104           HE3      MET 104   1.431   2.741 -25.292
  786    H    LYS 105           H        LYS 105  -5.062   2.483 -24.938
  787    HA   LYS 105           HA       LYS 105  -7.551   4.053 -24.626
  788    HB2  LYS 105           HB2      LYS 105  -6.813   1.136 -24.119
  789    HB3  LYS 105           HB3      LYS 105  -8.425   1.806 -23.815
  790    HG2  LYS 105           HG2      LYS 105  -8.639   2.485 -26.177
  791    HG3  LYS 105           HG3      LYS 105  -7.023   1.850 -26.528
  792    HD2  LYS 105           HD2      LYS 105  -7.752  -0.425 -25.932
  793    HD3  LYS 105           HD3      LYS 105  -9.373   0.184 -25.535
  794    HE2  LYS 105           HE2      LYS 105  -9.670   0.969 -27.872
  795    HE3  LYS 105           HE3      LYS 105  -8.030   0.446 -28.272
  796    HZ1  LYS 105           HZ1      LYS 105  -8.701  -1.849 -27.824
  797    HZ2  LYS 105           HZ2      LYS 105 -10.223  -1.381 -27.441
  798    HZ3  LYS 105           HZ3      LYS 105  -9.667  -1.200 -28.966
  799    H    TYR 106           H        TYR 106  -8.748   3.573 -22.422
  800    HA   TYR 106           HA       TYR 106  -7.138   4.934 -20.345
  801    HB2  TYR 106           HB2      TYR 106  -9.307   5.796 -20.944
  802    HB3  TYR 106           HB3      TYR 106 -10.062   4.229 -20.719
  803    HD1  TYR 106           HD1      TYR 106  -7.820   6.410 -18.551
  804    HD2  TYR 106           HD2      TYR 106 -11.537   4.242 -18.929
  805    HE1  TYR 106           HE1      TYR 106  -8.458   7.075 -16.242
  806    HE2  TYR 106           HE2      TYR 106 -12.159   4.896 -16.619
  807    HH   TYR 106           HH       TYR 106 -11.550   6.078 -14.727
  808    H    SER 107           H        SER 107  -9.359   2.102 -20.268
  809    HA   SER 107           HA       SER 107  -7.457   0.460 -18.818
  810    HB2  SER 107           HB2      SER 107  -8.446   1.752 -16.937
  811    HB3  SER 107           HB3      SER 107 -10.059   1.204 -17.432
  812    HG   SER 107           HG       SER 107  -9.203  -0.189 -15.809
  813    H    ILE 108           H        ILE 108  -7.754  -1.595 -19.444
  814    HA   ILE 108           HA       ILE 108 -10.289  -2.293 -20.956
  815    HB   ILE 108           HB       ILE 108  -8.868  -3.366 -22.639
  816   HG12  ILE 108          HG12      ILE 108  -6.473  -2.166 -21.171
  817   HG13  ILE 108          HG13      ILE 108  -6.894  -3.877 -21.180
  818   HG21  ILE 108          HG21      ILE 108  -9.639  -0.993 -22.842
  819   HG22  ILE 108          HG22      ILE 108  -8.069  -0.455 -22.223
  820   HG23  ILE 108          HG23      ILE 108  -8.171  -1.350 -23.753
  821   HD11  ILE 108          HD11      ILE 108  -6.619  -3.912 -23.667
  822   HD12  ILE 108          HD12      ILE 108  -6.049  -2.225 -23.594
  823   HD13  ILE 108          HD13      ILE 108  -5.139  -3.505 -22.776
  824    H    VAL 109           H        VAL 109  -9.221  -3.061 -18.258
  825    HA   VAL 109           HA       VAL 109  -9.937  -5.075 -17.087
  826    HB   VAL 109           HB       VAL 109  -9.777  -6.694 -18.991
  827   HG11  VAL 109          HG11      VAL 109  -6.787  -6.847 -18.364
  828   HG12  VAL 109          HG12      VAL 109  -7.692  -7.805 -19.547
  829   HG13  VAL 109          HG13      VAL 109  -7.434  -6.073 -19.821
  830   HG21  VAL 109          HG21      VAL 109  -8.276  -7.544 -16.498
  831   HG22  VAL 109          HG22      VAL 109 -10.040  -7.416 -16.660
  832   HG23  VAL 109          HG23      VAL 109  -9.140  -8.586 -17.642
  833    H    SER 110           H        SER 110  -6.844  -4.064 -18.432
  834    HA   SER 110           HA       SER 110  -5.708  -3.737 -15.682
  835    HB2  SER 110           HB2      SER 110  -4.439  -5.301 -17.144
  836    HB3  SER 110           HB3      SER 110  -4.234  -3.999 -18.335
  837    HG   SER 110           HG       SER 110  -2.442  -4.257 -16.791
  838    H    ARG 111           H        ARG 111  -4.688  -1.746 -15.268
  839    HA   ARG 111           HA       ARG 111  -5.984   0.582 -16.484
  840    HB2  ARG 111           HB2      ARG 111  -3.935   0.282 -14.244
  841    HB3  ARG 111           HB3      ARG 111  -4.720   1.802 -14.683
  842    HG2  ARG 111           HG2      ARG 111  -6.886   1.010 -14.033
  843    HG3  ARG 111           HG3      ARG 111  -6.329  -0.653 -13.848
  844    HD2  ARG 111           HD2      ARG 111  -5.429   1.660 -12.099
  845    HD3  ARG 111           HD3      ARG 111  -6.693   0.500 -11.699
  846    HE   ARG 111           HE       ARG 111  -3.905  -0.461 -12.293
  847   HH11  ARG 111          HH11      ARG 111  -6.420  -0.178  -9.755
  848   HH12  ARG 111          HH12      ARG 111  -5.702  -1.501  -8.878
  849   HH21  ARG 111          HH21      ARG 111  -3.021  -1.861 -11.097
  850   HH22  ARG 111          HH22      ARG 111  -3.723  -2.432  -9.583
  851    H    ASN 112           H        ASN 112  -5.173   1.339 -18.417
  852    HA   ASN 112           HA       ASN 112  -2.770   0.412 -19.467
  853    HB2  ASN 112           HB2      ASN 112  -4.420   2.812 -20.281
  854    HB3  ASN 112           HB3      ASN 112  -3.095   2.142 -21.246
  855   HD21  ASN 112          HD22      ASN 112  -3.269  -0.325 -21.737
  856   HD22  ASN 112          HD21      ASN 112  -4.891  -0.867 -22.148
  857    H    CYS 113           H        CYS 113  -3.163   3.466 -17.676
  858    HA   CYS 113           HA       CYS 113  -0.577   4.555 -18.149
  859    HB2  CYS 113           HB2      CYS 113  -0.936   5.773 -16.019
  860    HB3  CYS 113           HB3      CYS 113  -2.367   5.829 -17.062
  861    HG   CYS 113           HG       CYS 113  -3.903   4.287 -15.770
  862    H    GLU 114           H        GLU 114  -1.489   1.945 -15.968
  863    HA   GLU 114           HA       GLU 114   0.880   1.893 -14.364
  864    HB2  GLU 114           HB2      GLU 114  -1.446   0.967 -13.885
  865    HB3  GLU 114           HB3      GLU 114  -1.043  -0.397 -14.936
  866    HG2  GLU 114           HG2      GLU 114   0.862  -0.950 -13.455
  867    HG3  GLU 114           HG3      GLU 114   0.425   0.396 -12.395
  868    H    HIS 115           H        HIS 115  -0.163  -0.322 -17.092
  869    HA   HIS 115           HA       HIS 115   2.471  -1.492 -17.263
  870    HB2  HIS 115           HB2      HIS 115   1.767  -2.634 -19.168
  871    HB3  HIS 115           HB3      HIS 115   0.369  -2.574 -18.115
  872    HD1  HIS 115           HD1      HIS 115   1.683  -0.697 -21.288
  873    HD2  HIS 115           HD2      HIS 115  -1.829  -1.944 -19.342
  874    HE1  HIS 115           HE1      HIS 115  -0.242  -0.088 -22.836
  875    H    PHE 116           H        PHE 116   1.024   1.384 -18.842
  876    HA   PHE 116           HA       PHE 116   3.119   1.930 -20.645
  877    HB2  PHE 116           HB2      PHE 116   1.156   3.243 -20.820
  878    HB3  PHE 116           HB3      PHE 116   1.177   3.675 -19.126
  879    HD1  PHE 116           HD2      PHE 116   3.312   4.021 -22.172
  880    HD2  PHE 116           HD1      PHE 116   2.059   5.764 -18.434
  881    HE1  PHE 116           HE2      PHE 116   4.767   5.966 -22.581
  882    HE2  PHE 116           HE1      PHE 116   3.555   7.707 -18.851
  883    HZ   PHE 116           HZ       PHE 116   4.899   7.820 -20.930
  884    H    VAL 117           H        VAL 117   2.888   3.262 -17.237
  885    HA   VAL 117           HA       VAL 117   5.561   4.307 -17.483
  886    HB   VAL 117           HB       VAL 117   5.666   4.641 -15.114
  887   HG11  VAL 117          HG11      VAL 117   3.825   6.206 -14.855
  888   HG12  VAL 117          HG12      VAL 117   4.521   6.313 -16.477
  889   HG13  VAL 117          HG13      VAL 117   2.967   5.480 -16.221
  890   HG21  VAL 117          HG21      VAL 117   3.913   4.053 -13.565
  891   HG22  VAL 117          HG22      VAL 117   2.962   3.275 -14.840
  892   HG23  VAL 117          HG23      VAL 117   4.512   2.579 -14.308
  893    H    THR 118           H        THR 118   4.454   1.089 -16.659
  894    HA   THR 118           HA       THR 118   6.935   0.029 -15.646
  895    HB   THR 118           HB       THR 118   4.730  -1.358 -17.044
  896    HG1  THR 118           HG1      THR 118   3.947  -0.471 -15.164
  897   HG21  THR 118          HG21      THR 118   6.967  -2.451 -15.305
  898   HG22  THR 118          HG22      THR 118   5.552  -3.382 -15.832
  899   HG23  THR 118          HG23      THR 118   6.709  -2.789 -17.030
  900    H    GLN 119           H        GLN 119   5.573   0.120 -18.928
  901    HA   GLN 119           HA       GLN 119   7.752  -1.183 -20.187
  902    HB2  GLN 119           HB2      GLN 119   5.595   0.712 -21.184
  903    HB3  GLN 119           HB3      GLN 119   6.804   0.050 -22.274
  904    HG2  GLN 119           HG2      GLN 119   4.981  -1.701 -20.564
  905    HG3  GLN 119           HG3      GLN 119   4.615  -1.194 -22.210
  906   HE21  GLN 119          HE22      GLN 119   4.530  -3.751 -22.279
  907   HE22  GLN 119          HE21      GLN 119   6.044  -4.493 -22.759
  908    H    LEU 120           H        LEU 120   7.460   2.210 -19.206
  909    HA   LEU 120           HA       LEU 120   9.646   3.185 -20.799
  910    HB2  LEU 120           HB2      LEU 120   8.756   4.122 -18.036
  911    HB3  LEU 120           HB3      LEU 120   9.749   5.032 -19.171
  912    HG   LEU 120           HG       LEU 120   6.829   4.265 -19.567
  913   HD11  LEU 120          HD11      LEU 120   8.144   6.958 -19.150
  914   HD12  LEU 120          HD12      LEU 120   6.411   6.639 -19.345
  915   HD13  LEU 120          HD13      LEU 120   7.250   6.025 -17.920
  916   HD21  LEU 120          HD21      LEU 120   7.810   4.238 -21.767
  917   HD22  LEU 120          HD22      LEU 120   6.977   5.783 -21.575
  918   HD23  LEU 120          HD23      LEU 120   8.743   5.714 -21.425
  919    H    ARG 121           H        ARG 121   9.677   1.397 -17.741
  920    HA   ARG 121           HA       ARG 121  12.651   1.544 -17.587
  921    HB2  ARG 121           HB2      ARG 121  11.337   1.819 -15.538
  922    HB3  ARG 121           HB3      ARG 121  10.607   0.222 -15.753
  923    HG2  ARG 121           HG2      ARG 121  12.795  -0.866 -15.495
  924    HG3  ARG 121           HG3      ARG 121  13.610   0.710 -15.463
  925    HD2  ARG 121           HD2      ARG 121  12.540   1.284 -13.360
  926    HD3  ARG 121           HD3      ARG 121  11.580  -0.212 -13.385
  927    HE   ARG 121           HE       ARG 121  14.043  -1.262 -13.517
  928   HH11  ARG 121          HH11      ARG 121  12.896   1.248 -11.247
  929   HH12  ARG 121          HH12      ARG 121  14.038   0.738 -10.041
  930   HH21  ARG 121          HH21      ARG 121  15.435  -1.821 -11.873
  931   HH22  ARG 121          HH22      ARG 121  15.356  -0.968 -10.336
  932    H    TYR 122           H        TYR 122  10.080  -0.959 -17.984
  933    HA   TYR 122           HA       TYR 122  11.917  -3.140 -18.246
  934    HB2  TYR 122           HB2      TYR 122   9.596  -3.343 -17.476
  935    HB3  TYR 122           HB3      TYR 122   9.002  -2.830 -19.051
  936    HD1  TYR 122           HD1      TYR 122  11.334  -5.441 -17.623
  937    HD2  TYR 122           HD2      TYR 122   8.232  -4.521 -20.475
  938    HE1  TYR 122           HE1      TYR 122  11.306  -7.815 -18.351
  939    HE2  TYR 122           HE2      TYR 122   8.201  -6.893 -21.212
  940    HH   TYR 122           HH       TYR 122  10.352  -9.378 -19.767
  941    H    GLY 123           H        GLY 123  10.539  -0.987 -20.699
  942    HA2  GLY 123           HA2      GLY 123  11.516  -2.587 -22.979
  943    HA3  GLY 123           HA3      GLY 123  10.522  -1.115 -23.015
  944    H    LYS 124           H        LYS 124  13.349  -0.876 -21.016
  945    HA   LYS 124           HA       LYS 124  14.518   1.220 -22.485
  946    HB2  LYS 124           HB2      LYS 124  16.303   1.108 -20.883
  947    HB3  LYS 124           HB3      LYS 124  14.814   0.723 -20.053
  948    HG2  LYS 124           HG2      LYS 124  16.115  -0.956 -19.195
  949    HG3  LYS 124           HG3      LYS 124  15.527  -1.805 -20.612
  950    HD2  LYS 124           HD2      LYS 124  17.756  -0.607 -21.673
  951    HD3  LYS 124           HD3      LYS 124  18.270  -0.710 -19.993
  952    HE2  LYS 124           HE2      LYS 124  17.936  -3.160 -20.005
  953    HE3  LYS 124           HE3      LYS 124  17.171  -3.074 -21.598
  954    HZ1  LYS 124           HZ1      LYS 124  19.462  -3.747 -21.853
  955    HZ2  LYS 124           HZ2      LYS 124  19.268  -2.254 -22.521
  956    HZ3  LYS 124           HZ3      LYS 124  20.024  -2.420 -21.073
  957    H    SER 125           H        SER 125  16.433   1.393 -23.729
  958    HA   SER 125           HA       SER 125  16.647  -0.197 -25.957
  959    HB2  SER 125           HB2      SER 125  18.872   1.496 -24.771
  960    HB3  SER 125           HB3      SER 125  18.706   0.985 -26.458
  961    HG   SER 125           HG       SER 125  17.820   3.095 -26.203
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  17.346  19.697  13.931
    2    H2   MET   1           H2       MET   1  15.758  19.847  14.281
    3    H3   MET   1           H3       MET   1  16.450  18.370  14.283
    4    HA   MET   1           HA       MET   1  16.065  20.124  11.942
    5    HB2  MET   1           HB2      MET   1  16.972  18.417  10.508
    6    HB3  MET   1           HB3      MET   1  18.160  18.830  11.732
    7    HG2  MET   1           HG2      MET   1  17.601  16.746  12.980
    8    HG3  MET   1           HG3      MET   1  16.391  16.346  11.750
    9    HE1  MET   1           HE1      MET   1  19.145  13.656  11.128
   10    HE2  MET   1           HE2      MET   1  18.632  14.327  12.690
   11    HE3  MET   1           HE3      MET   1  17.421  13.955  11.443
   12    H    ALA   2           H        ALA   2  14.638  19.167  10.236
   13    HA   ALA   2           HA       ALA   2  12.129  18.249  11.393
   14    HB1  ALA   2           HB1      ALA   2  12.985  18.659   8.492
   15    HB2  ALA   2           HB2      ALA   2  11.322  18.462   9.071
   16    HB3  ALA   2           HB3      ALA   2  12.258  19.895   9.542
   17    H    SER   3           H        SER   3  10.906  16.382  10.561
   18    HA   SER   3           HA       SER   3  12.489  13.930  10.556
   19    HB2  SER   3           HB2      SER   3  10.207  12.862  10.526
   20    HB3  SER   3           HB3      SER   3  10.510  13.961  11.881
   21    HG   SER   3           HG       SER   3   8.430  14.310  10.916
   22    HA   PRO   4           HA       PRO   4  12.510  12.965   6.198
   23    HB2  PRO   4           HB2      PRO   4  11.297  10.297   6.903
   24    HB3  PRO   4           HB3      PRO   4  12.727  10.649   5.884
   25    HG2  PRO   4           HG2      PRO   4  13.047   9.763   8.422
   26    HG3  PRO   4           HG3      PRO   4  14.072  11.110   7.809
   27    HD2  PRO   4           HD2      PRO   4  11.575  11.273   9.521
   28    HD3  PRO   4           HD3      PRO   4  13.146  12.109   9.724
   29    H    HIS   5           H        HIS   5  11.171  12.710   4.313
   30    HA   HIS   5           HA       HIS   5   8.295  12.331   4.525
   31    HB2  HIS   5           HB2      HIS   5   8.781  14.724   5.343
   32    HB3  HIS   5           HB3      HIS   5   9.311  15.086   3.708
   33    HD1  HIS   5           HD1      HIS   5   6.095  13.834   5.519
   34    HD2  HIS   5           HD2      HIS   5   7.394  15.866   2.075
   35    HE1  HIS   5           HE1      HIS   5   3.990  14.612   4.314
   36    H    GLN   6           H        GLN   6   7.243  12.801   2.286
   37    HA   GLN   6           HA       GLN   6   8.725  11.366   0.227
   38    HB2  GLN   6           HB2      GLN   6   6.026  12.785   0.307
   39    HB3  GLN   6           HB3      GLN   6   6.634  12.000  -1.144
   40    HG2  GLN   6           HG2      GLN   6   6.292  10.486   1.490
   41    HG3  GLN   6           HG3      GLN   6   4.994  10.682   0.322
   42   HE21  GLN   6          HE22      GLN   6   7.506   8.537   1.176
   43   HE22  GLN   6          HE21      GLN   6   7.561   7.704  -0.369
   44    H    GLU   7           H        GLU   7   9.831  12.144  -1.501
   45    HA   GLU   7           HA       GLU   7   9.299  14.753  -2.642
   46    HB2  GLU   7           HB2      GLU   7  10.887  15.378  -0.882
   47    HB3  GLU   7           HB3      GLU   7  12.055  14.191  -1.490
   48    HG2  GLU   7           HG2      GLU   7  12.180  15.453  -3.634
   49    HG3  GLU   7           HG3      GLU   7  11.015  16.623  -3.006
   50    HA   PRO   8           HA       PRO   8  10.375  11.878  -5.910
   51    HB2  PRO   8           HB2      PRO   8   9.613  13.275  -8.090
   52    HB3  PRO   8           HB3      PRO   8   8.439  12.736  -6.855
   53    HG2  PRO   8           HG2      PRO   8   9.746  15.466  -7.092
   54    HG3  PRO   8           HG3      PRO   8   8.003  15.086  -6.901
   55    HD2  PRO   8           HD2      PRO   8   9.631  15.717  -4.762
   56    HD3  PRO   8           HD3      PRO   8   8.271  14.561  -4.628
   57    H    LYS   9           H        LYS   9  12.050  11.359  -7.199
   58    HA   LYS   9           HA       LYS   9  14.023  13.408  -8.071
   59    HB2  LYS   9           HB2      LYS   9  14.486  10.711  -6.705
   60    HB3  LYS   9           HB3      LYS   9  15.784  11.551  -7.538
   61    HG2  LYS   9           HG2      LYS   9  14.203  12.740  -5.222
   62    HG3  LYS   9           HG3      LYS   9  15.742  11.899  -5.053
   63    HD2  LYS   9           HD2      LYS   9  16.993  13.610  -5.963
   64    HD3  LYS   9           HD3      LYS   9  15.723  14.146  -7.049
   65    HE2  LYS   9           HE2      LYS   9  15.999  15.880  -5.419
   66    HE3  LYS   9           HE3      LYS   9  14.444  15.097  -5.141
   67    HZ1  LYS   9           HZ1      LYS   9  15.601  13.789  -3.340
   68    HZ2  LYS   9           HZ2      LYS   9  16.916  14.755  -3.530
   69    HZ3  LYS   9           HZ3      LYS   9  15.472  15.391  -3.050
   70    HA   PRO  10           HA       PRO  10  13.970  12.089 -12.158
   71    HB2  PRO  10           HB2      PRO  10  16.804  11.042 -11.929
   72    HB3  PRO  10           HB3      PRO  10  16.059  11.995 -13.251
   73    HG2  PRO  10           HG2      PRO  10  17.552  13.234 -11.372
   74    HG3  PRO  10           HG3      PRO  10  15.994  13.961 -11.894
   75    HD2  PRO  10           HD2      PRO  10  16.608  12.376  -9.408
   76    HD3  PRO  10           HD3      PRO  10  15.581  13.828  -9.596
   77    H    GLY  11           H        GLY  11  12.899  10.414 -13.050
   78    HA2  GLY  11           HA2      GLY  11  12.596   8.251 -13.885
   79    HA3  GLY  11           HA3      GLY  11  13.861   7.636 -12.797
   80    H    ASP  12           H        ASP  12  11.999   9.345 -10.693
   81    HA   ASP  12           HA       ASP  12  10.948   7.021  -9.509
   82    HB2  ASP  12           HB2      ASP  12  10.387   9.959  -9.057
   83    HB3  ASP  12           HB3      ASP  12   9.535   8.708  -8.173
   84    H    LEU  13           H        LEU  13   9.118   6.012  -9.416
   85    HA   LEU  13           HA       LEU  13   6.955   6.609 -11.352
   86    HB2  LEU  13           HB2      LEU  13   7.432   4.299  -9.404
   87    HB3  LEU  13           HB3      LEU  13   6.057   4.410 -10.501
   88    HG   LEU  13           HG       LEU  13   8.982   4.294 -11.387
   89   HD11  LEU  13          HD11      LEU  13   8.203   2.187 -10.299
   90   HD12  LEU  13          HD12      LEU  13   6.846   2.116 -11.447
   91   HD13  LEU  13          HD13      LEU  13   8.530   1.997 -12.024
   92   HD21  LEU  13          HD21      LEU  13   7.485   5.432 -13.033
   93   HD22  LEU  13          HD22      LEU  13   8.014   3.850 -13.634
   94   HD23  LEU  13          HD23      LEU  13   6.381   4.049 -12.956
   95    H    ILE  14           H        ILE  14   5.349   7.823 -10.808
   96    HA   ILE  14           HA       ILE  14   4.825   8.412  -7.909
   97    HB   ILE  14           HB       ILE  14   3.813   9.948 -10.336
   98   HG12  ILE  14          HG12      ILE  14   6.211  10.187 -10.446
   99   HG13  ILE  14          HG13      ILE  14   5.487  11.680  -9.899
  100   HG21  ILE  14          HG21      ILE  14   2.490  10.234  -8.294
  101   HG22  ILE  14          HG22      ILE  14   3.937  10.622  -7.360
  102   HG23  ILE  14          HG23      ILE  14   3.380  11.724  -8.641
  103   HD11  ILE  14          HD11      ILE  14   6.891   9.645  -8.113
  104   HD12  ILE  14          HD12      ILE  14   7.564  11.180  -8.677
  105   HD13  ILE  14          HD13      ILE  14   6.191  11.190  -7.565
  106    H    GLU  15           H        GLU  15   3.114   7.453  -7.062
  107    HA   GLU  15           HA       GLU  15   0.987   6.237  -8.772
  108    HB2  GLU  15           HB2      GLU  15   2.193   4.719  -7.264
  109    HB3  GLU  15           HB3      GLU  15   1.872   5.786  -5.889
  110    HG2  GLU  15           HG2      GLU  15  -0.524   5.321  -6.032
  111    HG3  GLU  15           HG3      GLU  15  -0.281   4.374  -7.506
  112    H    ILE  16           H        ILE  16  -0.958   7.248  -8.792
  113    HA   ILE  16           HA       ILE  16  -1.486   9.436  -6.804
  114    HB   ILE  16           HB       ILE  16  -2.157   9.443  -9.771
  115   HG12  ILE  16          HG12      ILE  16   0.097  10.941  -8.372
  116   HG13  ILE  16          HG13      ILE  16   0.314   9.569  -9.459
  117   HG21  ILE  16          HG21      ILE  16  -2.759  11.812  -9.351
  118   HG22  ILE  16          HG22      ILE  16  -3.672  10.771  -8.275
  119   HG23  ILE  16          HG23      ILE  16  -2.266  11.649  -7.650
  120   HD11  ILE  16          HD11      ILE  16   0.785  11.563 -10.685
  121   HD12  ILE  16          HD12      ILE  16  -0.722  10.868 -11.314
  122   HD13  ILE  16          HD13      ILE  16  -0.767  12.291 -10.245
  123    H    PHE  17           H        PHE  17  -3.228   9.125  -5.679
  124    HA   PHE  17           HA       PHE  17  -5.253   7.119  -6.462
  125    HB2  PHE  17           HB2      PHE  17  -4.913   8.685  -3.886
  126    HB3  PHE  17           HB3      PHE  17  -5.976   7.310  -4.142
  127    HD1  PHE  17           HD2      PHE  17  -4.866   5.051  -4.854
  128    HD2  PHE  17           HD1      PHE  17  -2.673   8.340  -3.128
  129    HE1  PHE  17           HE2      PHE  17  -3.010   3.511  -4.257
  130    HE2  PHE  17           HE1      PHE  17  -0.835   6.800  -2.522
  131    HZ   PHE  17           HZ       PHE  17  -1.003   4.377  -3.088
  132    H    ARG  18           H        ARG  18  -5.651   8.744  -8.294
  133    HA   ARG  18           HA       ARG  18  -7.263  11.088  -7.838
  134    HB2  ARG  18           HB2      ARG  18  -6.030  10.527  -9.952
  135    HB3  ARG  18           HB3      ARG  18  -7.180   9.214 -10.256
  136    HG2  ARG  18           HG2      ARG  18  -9.024  10.878 -10.421
  137    HG3  ARG  18           HG3      ARG  18  -7.872  12.181 -10.086
  138    HD2  ARG  18           HD2      ARG  18  -6.629  11.501 -12.178
  139    HD3  ARG  18           HD3      ARG  18  -7.917  10.316 -12.487
  140    HE   ARG  18           HE       ARG  18  -8.941  12.997 -12.035
  141   HH11  ARG  18          HH11      ARG  18  -7.563  10.964 -14.613
  142   HH12  ARG  18          HH12      ARG  18  -8.288  11.943 -15.859
  143   HH21  ARG  18          HH21      ARG  18  -9.843  14.169 -13.699
  144   HH22  ARG  18          HH22      ARG  18  -9.558  13.721 -15.350
  145    H    LEU  19           H        LEU  19  -9.549  11.346  -8.078
  146    HA   LEU  19           HA       LEU  19 -11.256   9.444  -6.832
  147    HB2  LEU  19           HB2      LEU  19 -11.950  11.698  -8.766
  148    HB3  LEU  19           HB3      LEU  19 -13.111  10.836  -7.763
  149    HG   LEU  19           HG       LEU  19 -10.843  12.595  -6.719
  150   HD11  LEU  19          HD11      LEU  19 -13.852  13.061  -6.801
  151   HD12  LEU  19          HD12      LEU  19 -12.639  14.148  -6.089
  152   HD13  LEU  19          HD13      LEU  19 -12.646  13.858  -7.837
  153   HD21  LEU  19          HD21      LEU  19 -11.985  12.375  -4.514
  154   HD22  LEU  19          HD22      LEU  19 -13.073  11.155  -5.215
  155   HD23  LEU  19          HD23      LEU  19 -11.331  10.835  -5.078
  156    H    GLY  20           H        GLY  20 -12.475   7.769  -7.563
  157    HA2  GLY  20           HA2      GLY  20 -13.283   6.132  -9.061
  158    HA3  GLY  20           HA3      GLY  20 -12.647   7.068 -10.435
  159    H    TYR  21           H        TYR  21 -11.084   5.936 -11.445
  160    HA   TYR  21           HA       TYR  21  -9.510   3.902 -10.124
  161    HB2  TYR  21           HB2      TYR  21  -9.308   5.061 -12.924
  162    HB3  TYR  21           HB3      TYR  21  -8.446   3.644 -12.345
  163    HD1  TYR  21           HD2      TYR  21  -9.895   1.677 -11.369
  164    HD2  TYR  21           HD1      TYR  21 -11.416   4.757 -13.981
  165    HE1  TYR  21           HE2      TYR  21 -11.775   0.193 -12.016
  166    HE2  TYR  21           HE1      TYR  21 -13.306   3.275 -14.625
  167    HH   TYR  21           HH       TYR  21 -13.690  -0.041 -13.292
  168    H    GLU  22           H        GLU  22  -7.407   3.889  -9.555
  169    HA   GLU  22           HA       GLU  22  -5.856   6.197  -9.041
  170    HB2  GLU  22           HB2      GLU  22  -4.681   3.455  -9.586
  171    HB3  GLU  22           HB3      GLU  22  -4.050   4.727  -8.549
  172    HG2  GLU  22           HG2      GLU  22  -4.868   3.271  -6.973
  173    HG3  GLU  22           HG3      GLU  22  -6.282   4.305  -7.166
  174    H    HIS  23           H        HIS  23  -3.803   6.854  -9.990
  175    HA   HIS  23           HA       HIS  23  -3.414   6.308 -12.906
  176    HB2  HIS  23           HB2      HIS  23  -3.762   8.991 -11.516
  177    HB3  HIS  23           HB3      HIS  23  -2.863   8.843 -13.020
  178    HD1  HIS  23           HD1      HIS  23  -6.012   6.713 -12.853
  179    HD2  HIS  23           HD2      HIS  23  -4.664  10.463 -14.183
  180    HE1  HIS  23           HE1      HIS  23  -7.844   7.640 -14.367
  181    H    TRP  24           H        TRP  24  -1.222   7.053 -13.636
  182    HA   TRP  24           HA       TRP  24   0.844   7.141 -11.509
  183    HB2  TRP  24           HB2      TRP  24   0.610   5.022 -13.668
  184    HB3  TRP  24           HB3      TRP  24   2.142   5.443 -12.928
  185    HD1  TRP  24           HD1      TRP  24   2.726   4.569 -10.601
  186    HE1  TRP  24           HE1      TRP  24   1.657   2.884  -8.982
  187    HE3  TRP  24           HE3      TRP  24  -1.877   4.152 -12.796
  188    HZ2  TRP  24           HZ2      TRP  24  -0.905   1.597  -8.635
  189    HZ3  TRP  24           HZ3      TRP  24  -3.621   2.724 -11.785
  190    HH2  TRP  24           HH2      TRP  24  -3.146   1.441  -9.703
  191    H    ALA  25           H        ALA  25   2.836   7.952 -12.107
  192    HA   ALA  25           HA       ALA  25   3.207   8.929 -14.889
  193    HB1  ALA  25           HB1      ALA  25   1.962  10.703 -13.549
  194    HB2  ALA  25           HB2      ALA  25   3.401  10.830 -12.511
  195    HB3  ALA  25           HB3      ALA  25   3.505  11.204 -14.246
  196    H    LEU  26           H        LEU  26   5.320   9.429 -15.467
  197    HA   LEU  26           HA       LEU  26   7.516   8.400 -13.724
  198    HB2  LEU  26           HB2      LEU  26   7.005   7.644 -16.176
  199    HB3  LEU  26           HB3      LEU  26   7.578   9.214 -16.680
  200    HG   LEU  26           HG       LEU  26   9.270   7.581 -17.027
  201   HD11  LEU  26          HD11      LEU  26  10.040   9.809 -16.180
  202   HD12  LEU  26          HD12      LEU  26  10.197   9.097 -14.555
  203   HD13  LEU  26          HD13      LEU  26  11.181   8.487 -15.895
  204   HD21  LEU  26          HD21      LEU  26   8.502   5.893 -15.384
  205   HD22  LEU  26          HD22      LEU  26  10.243   6.186 -15.255
  206   HD23  LEU  26          HD23      LEU  26   9.148   6.885 -14.055
  207    H    TYR  27           H        TYR  27   8.507   9.973 -12.493
  208    HA   TYR  27           HA       TYR  27   8.285  12.819 -13.218
  209    HB2  TYR  27           HB2      TYR  27   8.047  12.061 -10.902
  210    HB3  TYR  27           HB3      TYR  27   9.682  11.414 -10.917
  211    HD1  TYR  27           HD1      TYR  27   7.634  14.514 -10.891
  212    HD2  TYR  27           HD2      TYR  27  11.602  12.886 -10.689
  213    HE1  TYR  27           HE1      TYR  27   8.477  16.693 -10.036
  214    HE2  TYR  27           HE2      TYR  27  12.443  15.042  -9.750
  215    HH   TYR  27           HH       TYR  27  11.911  17.199  -9.128
  216    H    ILE  28           H        ILE  28   9.728  14.063 -14.229
  217    HA   ILE  28           HA       ILE  28  12.218  12.662 -15.163
  218    HB   ILE  28           HB       ILE  28  12.111  13.906 -17.179
  219   HG12  ILE  28          HG12      ILE  28   9.581  15.267 -16.187
  220   HG13  ILE  28          HG13      ILE  28  11.163  16.048 -16.319
  221   HG21  ILE  28          HG21      ILE  28   9.316  12.790 -16.645
  222   HG22  ILE  28          HG22      ILE  28  10.222  12.826 -18.166
  223   HG23  ILE  28          HG23      ILE  28  10.767  11.791 -16.859
  224   HD11  ILE  28          HD11      ILE  28   9.430  14.960 -18.566
  225   HD12  ILE  28          HD12      ILE  28   9.929  16.637 -18.278
  226   HD13  ILE  28          HD13      ILE  28  11.134  15.436 -18.793
  227    H    GLY  29           H        GLY  29  11.817  14.664 -12.747
  228    HA2  GLY  29           HA2      GLY  29  13.745  15.343 -11.533
  229    HA3  GLY  29           HA3      GLY  29  14.633  15.573 -13.041
  230    H    ASP  30           H        ASP  30  12.681  17.286 -14.300
  231    HA   ASP  30           HA       ASP  30  13.610  19.768 -13.102
  232    HB2  ASP  30           HB2      ASP  30  13.750  19.100 -15.529
  233    HB3  ASP  30           HB3      ASP  30  12.005  19.326 -15.640
  234    H    GLY  31           H        GLY  31  11.243  18.255 -11.851
  235    HA2  GLY  31           HA2      GLY  31   9.363  18.955 -10.611
  236    HA3  GLY  31           HA3      GLY  31   9.332  20.496 -11.496
  237    H    TYR  32           H        TYR  32   9.643  18.386 -13.915
  238    HA   TYR  32           HA       TYR  32   6.739  18.267 -14.458
  239    HB2  TYR  32           HB2      TYR  32   9.218  17.963 -16.177
  240    HB3  TYR  32           HB3      TYR  32   7.620  17.536 -16.768
  241    HD1  TYR  32           HD1      TYR  32   9.790  20.343 -15.735
  242    HD2  TYR  32           HD2      TYR  32   5.912  19.210 -17.236
  243    HE1  TYR  32           HE1      TYR  32   9.341  22.706 -16.341
  244    HE2  TYR  32           HE2      TYR  32   5.449  21.579 -17.835
  245    HH   TYR  32           HH       TYR  32   7.865  24.186 -17.296
  246    H    VAL  33           H        VAL  33   5.715  16.458 -15.334
  247    HA   VAL  33           HA       VAL  33   6.948  13.782 -14.821
  248    HB   VAL  33           HB       VAL  33   4.636  12.960 -14.310
  249   HG11  VAL  33          HG11      VAL  33   4.678  13.536 -11.946
  250   HG12  VAL  33          HG12      VAL  33   6.297  13.180 -12.548
  251   HG13  VAL  33          HG13      VAL  33   5.808  14.872 -12.278
  252   HG21  VAL  33          HG21      VAL  33   3.338  14.970 -15.080
  253   HG22  VAL  33          HG22      VAL  33   2.936  14.426 -13.443
  254   HG23  VAL  33          HG23      VAL  33   3.955  15.853 -13.672
  255    H    ILE  34           H        ILE  34   6.328  12.175 -16.216
  256    HA   ILE  34           HA       ILE  34   4.706  12.961 -18.624
  257    HB   ILE  34           HB       ILE  34   7.141  11.171 -18.312
  258   HG12  ILE  34          HG12      ILE  34   6.387  13.511 -20.120
  259   HG13  ILE  34          HG13      ILE  34   7.442  13.581 -18.714
  260   HG21  ILE  34          HG21      ILE  34   5.077  11.196 -20.581
  261   HG22  ILE  34          HG22      ILE  34   6.684  10.449 -20.715
  262   HG23  ILE  34          HG23      ILE  34   5.528   9.814 -19.559
  263   HD11  ILE  34          HD11      ILE  34   8.047  12.169 -21.329
  264   HD12  ILE  34          HD12      ILE  34   8.813  13.617 -20.678
  265   HD13  ILE  34          HD13      ILE  34   9.056  12.056 -19.877
  266    H    HIS  35           H        HIS  35   2.895  11.789 -19.065
  267    HA   HIS  35           HA       HIS  35   2.186   9.435 -17.384
  268    HB2  HIS  35           HB2      HIS  35   0.157  10.750 -16.569
  269    HB3  HIS  35           HB3      HIS  35   1.701  11.261 -15.902
  270    HD1  HIS  35           HD1      HIS  35  -1.162  12.676 -17.952
  271    HD2  HIS  35           HD2      HIS  35   2.796  13.588 -16.891
  272    HE1  HIS  35           HE1      HIS  35  -0.798  15.128 -18.540
  273    H    LEU  36           H        LEU  36   0.271   8.328 -18.097
  274    HA   LEU  36           HA       LEU  36  -0.639   8.976 -20.857
  275    HB2  LEU  36           HB2      LEU  36   0.090   6.648 -20.277
  276    HB3  LEU  36           HB3      LEU  36  -1.147   6.591 -19.022
  277    HG   LEU  36           HG       LEU  36  -2.870   6.966 -20.924
  278   HD11  LEU  36          HD11      LEU  36  -2.139   6.267 -23.183
  279   HD12  LEU  36          HD12      LEU  36  -1.237   7.696 -22.665
  280   HD13  LEU  36          HD13      LEU  36  -0.467   6.102 -22.608
  281   HD21  LEU  36          HD21      LEU  36  -2.566   4.808 -19.783
  282   HD22  LEU  36          HD22      LEU  36  -2.877   4.574 -21.509
  283   HD23  LEU  36          HD23      LEU  36  -1.223   4.404 -20.877
  284    H    ALA  37           H        ALA  37  -2.555  10.039 -21.164
  285    HA   ALA  37           HA       ALA  37  -4.357  10.533 -18.860
  286    HB1  ALA  37           HB1      ALA  37  -3.697  12.440 -20.237
  287    HB2  ALA  37           HB2      ALA  37  -4.296  11.637 -21.706
  288    HB3  ALA  37           HB3      ALA  37  -5.435  12.127 -20.436
  289    HA   PRO  38           HA       PRO  38  -6.750   7.088 -20.234
  290    HB2  PRO  38           HB2      PRO  38  -8.965   7.243 -18.656
  291    HB3  PRO  38           HB3      PRO  38  -7.326   7.011 -17.971
  292    HG2  PRO  38           HG2      PRO  38  -8.832   9.630 -18.319
  293    HG3  PRO  38           HG3      PRO  38  -8.109   8.975 -16.816
  294    HD2  PRO  38           HD2      PRO  38  -6.750  10.731 -18.387
  295    HD3  PRO  38           HD3      PRO  38  -5.906   9.360 -17.599
  296    HA   PRO  39           HA       PRO  39 -10.017   8.032 -23.241
  297    HB2  PRO  39           HB2      PRO  39 -11.635   5.888 -21.857
  298    HB3  PRO  39           HB3      PRO  39 -11.311   6.097 -23.605
  299    HG2  PRO  39           HG2      PRO  39  -9.959   4.230 -22.206
  300    HG3  PRO  39           HG3      PRO  39  -9.069   5.284 -23.360
  301    HD2  PRO  39           HD2      PRO  39  -9.333   5.592 -20.353
  302    HD3  PRO  39           HD3      PRO  39  -7.862   5.666 -21.367
  303    H    SER  40           H        SER  40 -12.522   8.522 -23.340
  304    HA   SER  40           HA       SER  40 -13.830   9.527 -21.000
  305    HB2  SER  40           HB2      SER  40 -11.821  11.104 -21.142
  306    HB3  SER  40           HB3      SER  40 -12.530  11.728 -22.637
  307    HG   SER  40           HG       SER  40 -13.135  12.924 -20.694
  308    H    GLU  41           H        GLU  41 -15.515  11.279 -21.639
  309    HA   GLU  41           HA       GLU  41 -17.207  10.089 -23.701
  310    HB2  GLU  41           HB2      GLU  41 -17.627  12.468 -21.849
  311    HB3  GLU  41           HB3      GLU  41 -18.851  11.803 -22.935
  312    HG2  GLU  41           HG2      GLU  41 -18.699   9.611 -21.766
  313    HG3  GLU  41           HG3      GLU  41 -17.534  10.302 -20.632
  314    H    TYR  42           H        TYR  42 -18.292  11.277 -25.387
  315    HA   TYR  42           HA       TYR  42 -16.501  12.290 -27.205
  316    HB2  TYR  42           HB2      TYR  42 -19.463  12.895 -27.252
  317    HB3  TYR  42           HB3      TYR  42 -18.388  12.770 -28.630
  318    HD1  TYR  42           HD1      TYR  42 -17.057  10.330 -28.666
  319    HD2  TYR  42           HD2      TYR  42 -20.931  11.127 -26.938
  320    HE1  TYR  42           HE1      TYR  42 -17.680   7.942 -28.949
  321    HE2  TYR  42           HE2      TYR  42 -21.561   8.754 -27.237
  322    HH   TYR  42           HH       TYR  42 -20.915   6.680 -28.006
  323    HA   PRO  43           HA       PRO  43 -16.224  16.667 -26.099
  324    HB2  PRO  43           HB2      PRO  43 -14.502  17.558 -27.976
  325    HB3  PRO  43           HB3      PRO  43 -13.999  16.398 -26.706
  326    HG2  PRO  43           HG2      PRO  43 -14.851  15.778 -29.553
  327    HG3  PRO  43           HG3      PRO  43 -13.381  15.213 -28.694
  328    HD2  PRO  43           HD2      PRO  43 -15.651  13.694 -28.846
  329    HD3  PRO  43           HD3      PRO  43 -14.600  13.688 -27.398
  330    H    GLY  44           H        GLY  44 -17.453  15.566 -29.232
  331    HA2  GLY  44           HA2      GLY  44 -18.288  18.250 -30.122
  332    HA3  GLY  44           HA3      GLY  44 -18.451  16.717 -30.988
  333    H    ALA  45           H        ALA  45 -20.527  16.668 -31.530
  334    HA   ALA  45           HA       ALA  45 -22.676  17.774 -30.002
  335    HB1  ALA  45           HB1      ALA  45 -22.592  17.649 -32.474
  336    HB2  ALA  45           HB2      ALA  45 -22.697  15.871 -32.391
  337    HB3  ALA  45           HB3      ALA  45 -24.052  16.872 -31.840
  338    H    GLY  46           H        GLY  46 -21.156  14.780 -29.486
  339    HA2  GLY  46           HA2      GLY  46 -21.668  13.215 -27.797
  340    HA3  GLY  46           HA3      GLY  46 -23.317  13.853 -27.690
  341    H    SER  47           H        SER  47 -24.032  11.654 -27.647
  342    HA   SER  47           HA       SER  47 -23.471   9.671 -29.537
  343    HB2  SER  47           HB2      SER  47 -26.050  10.034 -27.974
  344    HB3  SER  47           HB3      SER  47 -25.407   8.518 -28.630
  345    HG   SER  47           HG       SER  47 -24.935   8.779 -26.363
  346    H    SER  48           H        SER  48 -25.511  12.434 -30.087
  347    HA   SER  48           HA       SER  48 -27.110  11.412 -32.265
  348    HB2  SER  48           HB2      SER  48 -26.114  14.236 -31.723
  349    HB3  SER  48           HB3      SER  48 -27.435  13.779 -32.808
  350    HG   SER  48           HG       SER  48 -28.227  14.468 -30.747
  351    H    SER  49           H        SER  49 -23.739  11.784 -32.081
  352    HA   SER  49           HA       SER  49 -23.424  11.392 -34.978
  353    HB2  SER  49           HB2      SER  49 -23.348  13.874 -34.638
  354    HB3  SER  49           HB3      SER  49 -21.967  13.651 -33.549
  355    HG   SER  49           HG       SER  49 -21.462  14.144 -35.846
  356    H    VAL  50           H        VAL  50 -20.662  11.599 -35.038
  357    HA   VAL  50           HA       VAL  50 -18.833  10.257 -34.861
  358    HB   VAL  50           HB       VAL  50 -17.654  10.362 -32.766
  359   HG11  VAL  50          HG11      VAL  50 -17.753  12.320 -34.252
  360   HG12  VAL  50          HG12      VAL  50 -19.138  12.947 -33.335
  361   HG13  VAL  50          HG13      VAL  50 -17.558  12.770 -32.550
  362   HG21  VAL  50          HG21      VAL  50 -20.123  11.580 -31.456
  363   HG22  VAL  50          HG22      VAL  50 -19.517   9.937 -31.131
  364   HG23  VAL  50          HG23      VAL  50 -18.521  11.351 -30.749
  365    H    PHE  51           H        PHE  51 -21.202   8.611 -34.954
  366    HA   PHE  51           HA       PHE  51 -21.187   6.454 -33.178
  367    HB2  PHE  51           HB2      PHE  51 -22.965   7.076 -34.805
  368    HB3  PHE  51           HB3      PHE  51 -21.949   6.517 -36.128
  369    HD1  PHE  51           HD1      PHE  51 -23.636   5.374 -32.971
  370    HD2  PHE  51           HD2      PHE  51 -22.043   4.229 -36.811
  371    HE1  PHE  51           HE1      PHE  51 -24.585   3.096 -32.688
  372    HE2  PHE  51           HE2      PHE  51 -22.998   1.955 -36.528
  373    HZ   PHE  51           HZ       PHE  51 -24.272   1.383 -34.463
  374    H    SER  52           H        SER  52 -18.888   7.070 -35.717
  375    HA   SER  52           HA       SER  52 -17.811   4.436 -36.116
  376    HB2  SER  52           HB2      SER  52 -15.856   5.754 -36.979
  377    HB3  SER  52           HB3      SER  52 -17.414   6.224 -37.686
  378    HG   SER  52           HG       SER  52 -16.133   8.060 -37.041
  379    H    VAL  53           H        VAL  53 -17.638   6.480 -33.342
  380    HA   VAL  53           HA       VAL  53 -15.530   4.749 -32.147
  381    HB   VAL  53           HB       VAL  53 -14.667   6.698 -30.868
  382   HG11  VAL  53          HG11      VAL  53 -13.170   7.511 -32.596
  383   HG12  VAL  53          HG12      VAL  53 -13.446   5.777 -32.805
  384   HG13  VAL  53          HG13      VAL  53 -14.263   6.943 -33.872
  385   HG21  VAL  53          HG21      VAL  53 -16.106   8.439 -32.922
  386   HG22  VAL  53          HG22      VAL  53 -16.537   8.306 -31.203
  387   HG23  VAL  53          HG23      VAL  53 -14.973   8.982 -31.674
  388    H    LEU  54           H        LEU  54 -15.647   4.442 -29.933
  389    HA   LEU  54           HA       LEU  54 -18.306   4.942 -28.688
  390    HB2  LEU  54           HB2      LEU  54 -17.414   2.616 -29.069
  391    HB3  LEU  54           HB3      LEU  54 -16.081   2.986 -27.979
  392    HG   LEU  54           HG       LEU  54 -17.655   3.228 -26.092
  393   HD11  LEU  54          HD11      LEU  54 -19.696   3.998 -27.236
  394   HD12  LEU  54          HD12      LEU  54 -19.801   2.465 -28.133
  395   HD13  LEU  54          HD13      LEU  54 -20.025   2.498 -26.370
  396   HD21  LEU  54          HD21      LEU  54 -16.635   1.045 -26.585
  397   HD22  LEU  54          HD22      LEU  54 -18.263   0.860 -25.911
  398   HD23  LEU  54          HD23      LEU  54 -18.004   0.636 -27.652
  399    H    SER  55           H        SER  55 -15.039   6.027 -28.435
  400    HA   SER  55           HA       SER  55 -15.473   7.689 -26.101
  401    HB2  SER  55           HB2      SER  55 -15.161   5.413 -25.090
  402    HB3  SER  55           HB3      SER  55 -13.552   5.354 -25.832
  403    HG   SER  55           HG       SER  55 -13.857   6.153 -23.517
  404    H    ASN  56           H        ASN  56 -13.242   8.604 -25.444
  405    HA   ASN  56           HA       ASN  56 -11.742   9.499 -27.846
  406    HB2  ASN  56           HB2      ASN  56 -11.508  10.172 -24.887
  407    HB3  ASN  56           HB3      ASN  56 -10.430  10.806 -26.127
  408   HD21  ASN  56          HD22      ASN  56 -13.948  10.578 -25.372
  409   HD22  ASN  56          HD21      ASN  56 -14.275  12.235 -25.818
  410    H    SER  57           H        SER  57  -9.453   9.113 -28.142
  411    HA   SER  57           HA       SER  57  -8.398   6.603 -27.079
  412    HB2  SER  57           HB2      SER  57  -6.310   7.411 -28.306
  413    HB3  SER  57           HB3      SER  57  -7.754   7.091 -29.285
  414    HG   SER  57           HG       SER  57  -6.877   9.080 -29.933
  415    H    ALA  58           H        ALA  58  -6.417   6.421 -25.871
  416    HA   ALA  58           HA       ALA  58  -6.032   8.484 -23.760
  417    HB1  ALA  58           HB1      ALA  58  -4.500   6.709 -22.845
  418    HB2  ALA  58           HB2      ALA  58  -6.168   6.145 -23.056
  419    HB3  ALA  58           HB3      ALA  58  -4.917   5.678 -24.224
  420    H    GLU  59           H        GLU  59  -3.982   9.508 -23.462
  421    HA   GLU  59           HA       GLU  59  -2.127   9.460 -25.805
  422    HB2  GLU  59           HB2      GLU  59  -3.831  11.323 -26.035
  423    HB3  GLU  59           HB3      GLU  59  -3.171  12.026 -24.544
  424    HG2  GLU  59           HG2      GLU  59  -0.961  12.244 -25.601
  425    HG3  GLU  59           HG3      GLU  59  -1.534  11.443 -27.062
  426    H    VAL  60           H        VAL  60   0.010   9.613 -25.247
  427    HA   VAL  60           HA       VAL  60   0.709   9.889 -22.386
  428    HB   VAL  60           HB       VAL  60   2.557   9.705 -24.764
  429   HG11  VAL  60          HG11      VAL  60   3.624  10.645 -22.697
  430   HG12  VAL  60          HG12      VAL  60   3.027   9.272 -21.771
  431   HG13  VAL  60          HG13      VAL  60   4.252   9.041 -23.048
  432   HG21  VAL  60          HG21      VAL  60   1.192   7.636 -24.603
  433   HG22  VAL  60          HG22      VAL  60   2.861   7.317 -24.126
  434   HG23  VAL  60          HG23      VAL  60   1.608   7.492 -22.883
  435    H    LYS  61           H        LYS  61   1.131  11.769 -21.451
  436    HA   LYS  61           HA       LYS  61   1.747  14.233 -23.052
  437    HB2  LYS  61           HB2      LYS  61  -0.276  13.737 -20.830
  438    HB3  LYS  61           HB3      LYS  61   0.220  15.359 -21.324
  439    HG2  LYS  61           HG2      LYS  61  -0.610  14.963 -23.607
  440    HG3  LYS  61           HG3      LYS  61  -1.107  13.312 -23.168
  441    HD2  LYS  61           HD2      LYS  61  -2.658  14.150 -21.506
  442    HD3  LYS  61           HD3      LYS  61  -2.149  15.816 -21.772
  443    HE2  LYS  61           HE2      LYS  61  -3.624  14.024 -23.761
  444    HE3  LYS  61           HE3      LYS  61  -4.334  15.309 -22.781
  445    HZ1  LYS  61           HZ1      LYS  61  -3.933  16.214 -24.919
  446    HZ2  LYS  61           HZ2      LYS  61  -2.757  16.868 -23.989
  447    HZ3  LYS  61           HZ3      LYS  61  -2.422  15.615 -25.030
  448    H    ARG  62           H        ARG  62   2.720  15.962 -21.846
  449    HA   ARG  62           HA       ARG  62   4.229  15.200 -19.368
  450    HB2  ARG  62           HB2      ARG  62   5.701  15.426 -21.348
  451    HB3  ARG  62           HB3      ARG  62   5.076  17.047 -21.640
  452    HG2  ARG  62           HG2      ARG  62   6.010  17.789 -19.440
  453    HG3  ARG  62           HG3      ARG  62   6.607  16.150 -19.152
  454    HD2  ARG  62           HD2      ARG  62   8.434  17.567 -19.944
  455    HD3  ARG  62           HD3      ARG  62   8.070  16.333 -21.144
  456    HE   ARG  62           HE       ARG  62   7.372  17.942 -22.644
  457   HH11  ARG  62          HH21      ARG  62   7.826  19.626 -19.535
  458   HH12  ARG  62          HH22      ARG  62   7.642  21.180 -20.277
  459   HH21  ARG  62          HH11      ARG  62   7.143  19.983 -23.492
  460   HH22  ARG  62          HH12      ARG  62   7.275  21.383 -22.474
  461    H    GLU  63           H        GLU  63   3.579  16.369 -17.633
  462    HA   GLU  63           HA       GLU  63   3.025  19.263 -17.856
  463    HB2  GLU  63           HB2      GLU  63   1.010  17.299 -16.692
  464    HB3  GLU  63           HB3      GLU  63   0.959  19.049 -16.461
  465    HG2  GLU  63           HG2      GLU  63   0.866  19.257 -19.004
  466    HG3  GLU  63           HG3      GLU  63   0.568  17.514 -19.047
  467    H    ARG  64           H        ARG  64   2.522  20.030 -15.387
  468    HA   ARG  64           HA       ARG  64   5.025  19.387 -14.022
  469    HB2  ARG  64           HB2      ARG  64   2.822  21.374 -13.356
  470    HB3  ARG  64           HB3      ARG  64   4.349  21.221 -12.473
  471    HG2  ARG  64           HG2      ARG  64   5.616  21.720 -14.550
  472    HG3  ARG  64           HG3      ARG  64   4.091  21.902 -15.434
  473    HD2  ARG  64           HD2      ARG  64   3.447  23.752 -13.893
  474    HD3  ARG  64           HD3      ARG  64   5.037  23.622 -13.110
  475    HE   ARG  64           HE       ARG  64   5.492  23.887 -15.883
  476   HH11  ARG  64          HH11      ARG  64   4.197  25.935 -13.293
  477   HH12  ARG  64          HH12      ARG  64   4.612  27.403 -14.130
  478   HH21  ARG  64          HH21      ARG  64   5.955  25.809 -16.918
  479   HH22  ARG  64          HH22      ARG  64   5.609  27.332 -16.151
  480    H    LEU  65           H        LEU  65   5.328  18.471 -12.014
  481    HA   LEU  65           HA       LEU  65   3.770  16.313 -11.119
  482    HB2  LEU  65           HB2      LEU  65   6.102  16.719 -10.613
  483    HB3  LEU  65           HB3      LEU  65   5.699  18.050  -9.553
  484    HG   LEU  65           HG       LEU  65   6.325  15.956  -8.468
  485   HD11  LEU  65          HD11      LEU  65   4.875  17.630  -7.280
  486   HD12  LEU  65          HD12      LEU  65   3.472  16.601  -7.667
  487   HD13  LEU  65          HD13      LEU  65   4.775  15.977  -6.654
  488   HD21  LEU  65          HD21      LEU  65   3.737  14.753  -9.476
  489   HD22  LEU  65          HD22      LEU  65   5.402  14.256  -9.870
  490   HD23  LEU  65          HD23      LEU  65   4.789  14.053  -8.229
  491    H    GLU  66           H        GLU  66   3.879  19.504  -9.453
  492    HA   GLU  66           HA       GLU  66   1.869  19.011  -7.571
  493    HB2  GLU  66           HB2      GLU  66   2.176  21.775  -8.777
  494    HB3  GLU  66           HB3      GLU  66   1.780  21.307  -7.125
  495    HG2  GLU  66           HG2      GLU  66   4.145  20.368  -6.969
  496    HG3  GLU  66           HG3      GLU  66   4.428  21.102  -8.565
  497    H    ASP  67           H        ASP  67   1.531  20.501 -10.801
  498    HA   ASP  67           HA       ASP  67  -1.243  20.961 -10.648
  499    HB2  ASP  67           HB2      ASP  67   0.267  22.002 -12.310
  500    HB3  ASP  67           HB3      ASP  67   0.450  20.448 -13.124
  501    H    VAL  68           H        VAL  68   0.540  18.151 -11.957
  502    HA   VAL  68           HA       VAL  68  -1.749  16.715 -12.846
  503    HB   VAL  68           HB       VAL  68   1.105  15.892 -12.294
  504   HG11  VAL  68          HG11      VAL  68  -0.140  13.833 -11.934
  505   HG12  VAL  68          HG12      VAL  68  -1.111  14.112 -13.400
  506   HG13  VAL  68          HG13      VAL  68   0.624  13.757 -13.520
  507   HG21  VAL  68          HG21      VAL  68   0.611  17.349 -14.280
  508   HG22  VAL  68          HG22      VAL  68   1.149  15.739 -14.784
  509   HG23  VAL  68          HG23      VAL  68  -0.565  16.158 -14.851
  510    H    VAL  69           H        VAL  69   0.111  16.476  -9.717
  511    HA   VAL  69           HA       VAL  69  -1.662  14.432  -8.736
  512    HB   VAL  69           HB       VAL  69  -0.472  14.553  -6.717
  513   HG11  VAL  69          HG11      VAL  69   0.619  13.330  -8.481
  514   HG12  VAL  69          HG12      VAL  69   1.452  14.787  -9.045
  515   HG13  VAL  69          HG13      VAL  69   1.837  14.101  -7.460
  516   HG21  VAL  69          HG21      VAL  69  -0.213  16.889  -6.245
  517   HG22  VAL  69          HG22      VAL  69   1.404  16.178  -6.318
  518   HG23  VAL  69          HG23      VAL  69   0.782  17.118  -7.682
  519    H    GLY  70           H        GLY  70  -2.179  17.734  -9.128
  520    HA2  GLY  70           HA2      GLY  70  -3.246  18.650  -6.717
  521    HA3  GLY  70           HA3      GLY  70  -3.710  19.250  -8.316
  522    H    GLY  71           H        GLY  71  -5.103  18.491  -5.636
  523    HA2  GLY  71           HA2      GLY  71  -7.273  17.931  -5.051
  524    HA3  GLY  71           HA3      GLY  71  -7.619  17.533  -6.748
  525    H    CYS  72           H        CYS  72  -4.920  15.772  -5.878
  526    HA   CYS  72           HA       CYS  72  -6.498  13.316  -5.173
  527    HB2  CYS  72           HB2      CYS  72  -4.084  13.532  -7.034
  528    HB3  CYS  72           HB3      CYS  72  -5.056  12.097  -6.709
  529    HG   CYS  72           HG       CYS  72  -5.981  14.961  -8.152
  530    H    CYS  73           H        CYS  73  -5.326  11.717  -3.945
  531    HA   CYS  73           HA       CYS  73  -2.999  12.709  -2.373
  532    HB2  CYS  73           HB2      CYS  73  -4.890  11.480  -1.276
  533    HB3  CYS  73           HB3      CYS  73  -4.457  10.033  -2.211
  534    HG   CYS  73           HG       CYS  73  -3.574   9.826   0.287
  535    H    TYR  74           H        TYR  74  -0.941  11.488  -2.410
  536    HA   TYR  74           HA       TYR  74  -0.421   9.685  -4.615
  537    HB2  TYR  74           HB2      TYR  74   0.918  11.064  -6.013
  538    HB3  TYR  74           HB3      TYR  74  -0.581  11.926  -5.781
  539    HD1  TYR  74           HD1      TYR  74  -0.632  13.844  -4.026
  540    HD2  TYR  74           HD2      TYR  74   3.015  12.057  -5.488
  541    HE1  TYR  74           HE1      TYR  74   0.655  15.814  -3.231
  542    HE2  TYR  74           HE2      TYR  74   4.300  14.028  -4.704
  543    HH   TYR  74           HH       TYR  74   4.209  16.092  -3.656
  544    H    ARG  75           H        ARG  75   1.847   9.060  -4.874
  545    HA   ARG  75           HA       ARG  75   3.827   9.819  -2.867
  546    HB2  ARG  75           HB2      ARG  75   4.064   7.635  -1.806
  547    HB3  ARG  75           HB3      ARG  75   2.444   8.265  -1.540
  548    HG2  ARG  75           HG2      ARG  75   1.575   6.783  -3.369
  549    HG3  ARG  75           HG3      ARG  75   3.212   6.149  -3.612
  550    HD2  ARG  75           HD2      ARG  75   3.233   5.317  -1.266
  551    HD3  ARG  75           HD3      ARG  75   1.572   5.916  -1.059
  552    HE   ARG  75           HE       ARG  75   1.742   4.216  -3.387
  553   HH11  ARG  75          HH21      ARG  75   1.692   3.831   0.149
  554   HH12  ARG  75          HH22      ARG  75   1.016   2.235   0.019
  555   HH21  ARG  75          HH11      ARG  75   0.910   2.333  -3.487
  556   HH22  ARG  75          HH12      ARG  75   0.549   1.351  -2.066
  557    H    VAL  76           H        VAL  76   5.900   8.779  -3.162
  558    HA   VAL  76           HA       VAL  76   6.502   7.901  -5.947
  559    HB   VAL  76           HB       VAL  76   8.276   8.362  -3.513
  560   HG11  VAL  76          HG11      VAL  76   9.292   6.561  -4.812
  561   HG12  VAL  76          HG12      VAL  76   9.068   7.472  -6.319
  562   HG13  VAL  76          HG13      VAL  76  10.200   8.039  -5.067
  563   HG21  VAL  76          HG21      VAL  76   8.147   9.886  -6.152
  564   HG22  VAL  76          HG22      VAL  76   7.411  10.437  -4.632
  565   HG23  VAL  76          HG23      VAL  76   9.162  10.264  -4.745
  566    H    ASN  77           H        ASN  77   6.719   5.730  -6.456
  567    HA   ASN  77           HA       ASN  77   7.138   3.718  -4.332
  568    HB2  ASN  77           HB2      ASN  77   4.692   4.268  -4.299
  569    HB3  ASN  77           HB3      ASN  77   4.570   3.731  -5.973
  570   HD21  ASN  77          HD22      ASN  77   2.907   2.292  -4.826
  571   HD22  ASN  77          HD21      ASN  77   3.522   0.752  -4.220
  572    H    ASN  78           H        ASN  78   9.085   3.412  -5.489
  573    HA   ASN  78           HA       ASN  78   9.072   2.613  -8.291
  574    HB2  ASN  78           HB2      ASN  78  11.338   2.809  -6.275
  575    HB3  ASN  78           HB3      ASN  78  11.537   2.504  -8.001
  576   HD21  ASN  78          HD22      ASN  78  12.820   4.680  -6.801
  577   HD22  ASN  78          HD21      ASN  78  12.100   6.147  -7.446
  578    H    SER  79           H        SER  79   7.492   0.700  -7.219
  579    HA   SER  79           HA       SER  79   8.642  -1.532  -5.954
  580    HB2  SER  79           HB2      SER  79   6.368  -1.618  -7.973
  581    HB3  SER  79           HB3      SER  79   6.637  -2.723  -6.619
  582    HG   SER  79           HG       SER  79   6.110  -1.030  -5.183
  583    H    LEU  80           H        LEU  80   8.660  -0.748  -9.399
  584    HA   LEU  80           HA       LEU  80   9.228  -3.354 -10.376
  585    HB2  LEU  80           HB2      LEU  80  10.058  -0.761 -11.708
  586    HB3  LEU  80           HB3      LEU  80   9.772  -2.341 -12.454
  587    HG   LEU  80           HG       LEU  80   7.648  -0.530 -11.218
  588   HD11  LEU  80          HD11      LEU  80   8.633   0.230 -13.386
  589   HD12  LEU  80          HD12      LEU  80   8.172  -1.312 -14.111
  590   HD13  LEU  80          HD13      LEU  80   6.920  -0.204 -13.492
  591   HD21  LEU  80          HD21      LEU  80   6.022  -2.151 -12.209
  592   HD22  LEU  80          HD22      LEU  80   7.371  -3.245 -12.586
  593   HD23  LEU  80          HD23      LEU  80   6.972  -2.851 -10.895
  594    H    ASP  81           H        ASP  81  11.360  -1.199  -8.712
  595    HA   ASP  81           HA       ASP  81  13.862  -2.192  -9.736
  596    HB2  ASP  81           HB2      ASP  81  13.332  -0.183  -8.143
  597    HB3  ASP  81           HB3      ASP  81  13.311  -1.408  -6.861
  598    H    HIS  82           H        HIS  82  11.445  -3.624  -7.735
  599    HA   HIS  82           HA       HIS  82  13.200  -5.867  -6.873
  600    HB2  HIS  82           HB2      HIS  82  11.612  -4.454  -5.390
  601    HB3  HIS  82           HB3      HIS  82  10.293  -5.338  -6.153
  602    HD1  HIS  82           HD1      HIS  82  11.344  -8.292  -6.028
  603    HD2  HIS  82           HD2      HIS  82  11.884  -5.411  -3.017
  604    HE1  HIS  82           HE1      HIS  82  11.712  -9.590  -3.857
  605    H    GLU  83           H        GLU  83  11.426  -5.065  -9.577
  606    HA   GLU  83           HA       GLU  83  10.475  -7.829 -10.195
  607    HB2  GLU  83           HB2      GLU  83   9.933  -5.164 -11.599
  608    HB3  GLU  83           HB3      GLU  83   9.404  -6.740 -12.173
  609    HG2  GLU  83           HG2      GLU  83   8.574  -5.450  -9.543
  610    HG3  GLU  83           HG3      GLU  83   7.610  -5.531 -11.013
  611    H    TYR  84           H        TYR  84  12.377  -5.124 -11.517
  612    HA   TYR  84           HA       TYR  84  13.904  -6.998 -13.278
  613    HB2  TYR  84           HB2      TYR  84  13.443  -4.046 -13.762
  614    HB3  TYR  84           HB3      TYR  84  13.965  -5.265 -14.916
  615    HD1  TYR  84           HD2      TYR  84  12.146  -7.367 -15.053
  616    HD2  TYR  84           HD1      TYR  84  11.278  -3.277 -14.007
  617    HE1  TYR  84           HE2      TYR  84   9.748  -7.739 -15.599
  618    HE2  TYR  84           HE1      TYR  84   8.884  -3.647 -14.542
  619    HH   TYR  84           HH       TYR  84   7.271  -5.157 -15.269
  620    H    GLN  85           H        GLN  85  16.071  -6.148 -13.964
  621    HA   GLN  85           HA       GLN  85  17.735  -5.535 -11.704
  622    HB2  GLN  85           HB2      GLN  85  18.250  -5.697 -14.694
  623    HB3  GLN  85           HB3      GLN  85  19.531  -5.320 -13.559
  624    HG2  GLN  85           HG2      GLN  85  17.829  -7.841 -13.496
  625    HG3  GLN  85           HG3      GLN  85  19.460  -7.726 -14.151
  626   HE21  GLN  85          HE22      GLN  85  18.333  -9.384 -11.832
  627   HE22  GLN  85          HE21      GLN  85  19.374  -8.951 -10.487
  628    HA   PRO  86           HA       PRO  86  18.057  -1.031 -11.848
  629    HB2  PRO  86           HB2      PRO  86  21.041  -1.381 -12.092
  630    HB3  PRO  86           HB3      PRO  86  20.112  -0.332 -10.978
  631    HG2  PRO  86           HG2      PRO  86  21.188  -2.668 -10.104
  632    HG3  PRO  86           HG3      PRO  86  19.524  -2.207  -9.599
  633    HD2  PRO  86           HD2      PRO  86  20.379  -4.103 -11.789
  634    HD3  PRO  86           HD3      PRO  86  19.121  -4.318 -10.528
  635    H    ARG  87           H        ARG  87  17.706   0.289 -13.563
  636    HA   ARG  87           HA       ARG  87  19.061  -0.236 -16.193
  637    HB2  ARG  87           HB2      ARG  87  16.357   1.035 -15.646
  638    HB3  ARG  87           HB3      ARG  87  17.039   0.739 -17.233
  639    HG2  ARG  87           HG2      ARG  87  16.093  -1.363 -15.238
  640    HG3  ARG  87           HG3      ARG  87  15.226  -0.775 -16.643
  641    HD2  ARG  87           HD2      ARG  87  16.030  -2.895 -17.193
  642    HD3  ARG  87           HD3      ARG  87  16.970  -1.726 -18.135
  643    HE   ARG  87           HE       ARG  87  18.405  -2.293 -15.749
  644   HH11  ARG  87          HH21      ARG  87  17.350  -4.288 -18.490
  645   HH12  ARG  87          HH22      ARG  87  18.868  -5.135 -18.546
  646   HH21  ARG  87          HH11      ARG  87  20.308  -3.413 -15.884
  647   HH22  ARG  87          HH12      ARG  87  20.492  -4.707 -17.038
  648    HA   PRO  88           HA       PRO  88  20.737   3.884 -15.786
  649    HB2  PRO  88           HB2      PRO  88  21.179   4.651 -18.376
  650    HB3  PRO  88           HB3      PRO  88  22.113   3.371 -17.549
  651    HG2  PRO  88           HG2      PRO  88  19.738   3.032 -19.399
  652    HG3  PRO  88           HG3      PRO  88  21.307   2.164 -19.443
  653    HD2  PRO  88           HD2      PRO  88  19.067   1.141 -18.303
  654    HD3  PRO  88           HD3      PRO  88  20.694   0.814 -17.622
  655    H    VAL  89           H        VAL  89  19.437   5.423 -14.976
  656    HA   VAL  89           HA       VAL  89  16.804   5.805 -15.707
  657    HB   VAL  89           HB       VAL  89  17.825   6.412 -13.549
  658   HG11  VAL  89          HG11      VAL  89  19.749   7.780 -14.340
  659   HG12  VAL  89          HG12      VAL  89  18.621   9.052 -14.851
  660   HG13  VAL  89          HG13      VAL  89  18.762   8.622 -13.136
  661   HG21  VAL  89          HG21      VAL  89  16.261   8.145 -13.012
  662   HG22  VAL  89          HG22      VAL  89  16.121   8.661 -14.699
  663   HG23  VAL  89          HG23      VAL  89  15.511   7.064 -14.200
  664    H    GLU  90           H        GLU  90  19.527   7.593 -17.096
  665    HA   GLU  90           HA       GLU  90  18.061   9.616 -18.405
  666    HB2  GLU  90           HB2      GLU  90  19.936   9.818 -19.915
  667    HB3  GLU  90           HB3      GLU  90  20.477   9.615 -18.249
  668    HG2  GLU  90           HG2      GLU  90  20.983   7.202 -18.757
  669    HG3  GLU  90           HG3      GLU  90  20.546   7.501 -20.445
  670    H    VAL  91           H        VAL  91  18.541   6.229 -19.346
  671    HA   VAL  91           HA       VAL  91  17.294   6.533 -21.935
  672    HB   VAL  91           HB       VAL  91  17.696   3.943 -20.415
  673   HG11  VAL  91          HG11      VAL  91  17.684   2.943 -22.722
  674   HG12  VAL  91          HG12      VAL  91  16.124   3.624 -22.249
  675   HG13  VAL  91          HG13      VAL  91  17.180   4.520 -23.365
  676   HG21  VAL  91          HG21      VAL  91  19.520   5.305 -22.449
  677   HG22  VAL  91          HG22      VAL  91  19.879   5.051 -20.722
  678   HG23  VAL  91          HG23      VAL  91  19.736   3.665 -21.792
  679    H    ILE  92           H        ILE  92  16.098   5.650 -18.678
  680    HA   ILE  92           HA       ILE  92  13.407   4.956 -19.495
  681    HB   ILE  92           HB       ILE  92  14.265   6.189 -16.836
  682   HG12  ILE  92          HG12      ILE  92  14.277   3.238 -17.631
  683   HG13  ILE  92          HG13      ILE  92  15.712   4.224 -17.361
  684   HG21  ILE  92          HG21      ILE  92  11.782   6.031 -17.315
  685   HG22  ILE  92          HG22      ILE  92  11.977   4.268 -17.472
  686   HG23  ILE  92          HG23      ILE  92  12.298   5.087 -15.927
  687   HD11  ILE  92          HD11      ILE  92  15.417   3.003 -15.380
  688   HD12  ILE  92          HD12      ILE  92  14.913   4.655 -15.001
  689   HD13  ILE  92          HD13      ILE  92  13.693   3.380 -15.273
  690    H    ILE  93           H        ILE  93  14.797   8.077 -18.369
  691    HA   ILE  93           HA       ILE  93  12.431   9.616 -18.885
  692    HB   ILE  93           HB       ILE  93  15.356  10.329 -18.518
  693   HG12  ILE  93          HG12      ILE  93  12.898  10.923 -16.793
  694   HG13  ILE  93          HG13      ILE  93  13.862   9.458 -16.589
  695   HG21  ILE  93          HG21      ILE  93  14.470  12.115 -19.933
  696   HG22  ILE  93          HG22      ILE  93  13.027  12.273 -18.905
  697   HG23  ILE  93          HG23      ILE  93  14.633  12.731 -18.300
  698   HD11  ILE  93          HD11      ILE  93  14.845  12.305 -16.129
  699   HD12  ILE  93          HD12      ILE  93  14.500  11.073 -14.907
  700   HD13  ILE  93          HD13      ILE  93  15.852  10.838 -16.042
  701    H    SER  94           H        SER  94  15.230   8.902 -21.002
  702    HA   SER  94           HA       SER  94  14.313  10.443 -23.214
  703    HB2  SER  94           HB2      SER  94  16.584   9.460 -22.986
  704    HB3  SER  94           HB3      SER  94  15.896   7.847 -23.272
  705    HG   SER  94           HG       SER  94  16.758   8.862 -25.214
  706    H    SER  95           H        SER  95  13.610   7.062 -22.334
  707    HA   SER  95           HA       SER  95  11.828   6.448 -24.486
  708    HB2  SER  95           HB2      SER  95  12.148   5.398 -21.657
  709    HB3  SER  95           HB3      SER  95  10.921   4.763 -22.770
  710    HG   SER  95           HG       SER  95  13.763   4.706 -23.091
  711    H    ALA  96           H        ALA  96  11.187   7.890 -21.231
  712    HA   ALA  96           HA       ALA  96   8.371   8.127 -21.493
  713    HB1  ALA  96           HB1      ALA  96   9.848   8.421 -19.439
  714    HB2  ALA  96           HB2      ALA  96  10.291  10.019 -20.058
  715    HB3  ALA  96           HB3      ALA  96   8.606   9.664 -19.637
  716    H    LYS  97           H        LYS  97  10.969  10.480 -22.364
  717    HA   LYS  97           HA       LYS  97   9.263  12.466 -23.492
  718    HB2  LYS  97           HB2      LYS  97  12.190  11.746 -23.898
  719    HB3  LYS  97           HB3      LYS  97  11.441  13.147 -24.665
  720    HG2  LYS  97           HG2      LYS  97  10.937  14.182 -22.548
  721    HG3  LYS  97           HG3      LYS  97  11.417  12.736 -21.640
  722    HD2  LYS  97           HD2      LYS  97  13.722  12.953 -22.372
  723    HD3  LYS  97           HD3      LYS  97  13.302  14.301 -23.452
  724    HE2  LYS  97           HE2      LYS  97  12.565  15.636 -21.456
  725    HE3  LYS  97           HE3      LYS  97  13.103  14.329 -20.397
  726    HZ1  LYS  97           HZ1      LYS  97  15.382  14.674 -21.289
  727    HZ2  LYS  97           HZ2      LYS  97  14.854  15.895 -22.239
  728    HZ3  LYS  97           HZ3      LYS  97  14.814  16.053 -20.617
  729    H    GLU  98           H        GLU  98  10.889   9.714 -25.071
  730    HA   GLU  98           HA       GLU  98   9.928  10.273 -27.697
  731    HB2  GLU  98           HB2      GLU  98  10.884   7.724 -26.362
  732    HB3  GLU  98           HB3      GLU  98  10.342   7.749 -28.036
  733    HG2  GLU  98           HG2      GLU  98  12.600   9.503 -26.986
  734    HG3  GLU  98           HG3      GLU  98  12.822   7.935 -27.751
  735    H    MET  99           H        MET  99   8.440   8.441 -25.013
  736    HA   MET  99           HA       MET  99   6.186   7.585 -26.554
  737    HB2  MET  99           HB2      MET  99   6.687   7.748 -23.579
  738    HB3  MET  99           HB3      MET  99   5.178   7.156 -24.288
  739    HG2  MET  99           HG2      MET  99   7.887   6.031 -25.091
  740    HG3  MET  99           HG3      MET  99   6.992   5.400 -23.731
  741    HE1  MET  99           HE1      MET  99   5.220   3.795 -23.742
  742    HE2  MET  99           HE2      MET  99   4.039   4.973 -24.383
  743    HE3  MET  99           HE3      MET  99   4.178   3.360 -25.109
  744    H    VAL 100           H        VAL 100   6.631  10.458 -24.446
  745    HA   VAL 100           HA       VAL 100   4.077  11.565 -24.586
  746    HB   VAL 100           HB       VAL 100   6.684  13.084 -24.843
  747   HG11  VAL 100          HG11      VAL 100   4.892  14.569 -25.695
  748   HG12  VAL 100          HG12      VAL 100   3.886  14.183 -24.282
  749   HG13  VAL 100          HG13      VAL 100   5.399  15.087 -24.086
  750   HG21  VAL 100          HG21      VAL 100   6.392  13.532 -22.494
  751   HG22  VAL 100          HG22      VAL 100   4.781  12.780 -22.486
  752   HG23  VAL 100          HG23      VAL 100   6.223  11.785 -22.713
  753    H    GLY 101           H        GLY 101   2.714  12.242 -25.991
  754    HA2  GLY 101           HA2      GLY 101   1.935  13.321 -27.960
  755    HA3  GLY 101           HA3      GLY 101   3.477  12.974 -28.781
  756    H    GLN 102           H        GLN 102   3.063  10.045 -27.509
  757    HA   GLN 102           HA       GLN 102   1.658   9.021 -29.820
  758    HB2  GLN 102           HB2      GLN 102   2.979   7.544 -27.504
  759    HB3  GLN 102           HB3      GLN 102   2.284   6.809 -28.946
  760    HG2  GLN 102           HG2      GLN 102   3.892   8.142 -30.367
  761    HG3  GLN 102           HG3      GLN 102   4.653   8.740 -28.901
  762   HE21  GLN 102          HE22      GLN 102   6.682   7.706 -28.819
  763   HE22  GLN 102          HE21      GLN 102   6.862   5.967 -29.034
  764    H    LYS 103           H        LYS 103  -0.194   7.848 -29.842
  765    HA   LYS 103           HA       LYS 103  -2.016   8.084 -27.501
  766    HB2  LYS 103           HB2      LYS 103  -2.519   8.136 -30.502
  767    HB3  LYS 103           HB3      LYS 103  -3.812   8.073 -29.294
  768    HG2  LYS 103           HG2      LYS 103  -3.176  10.191 -28.344
  769    HG3  LYS 103           HG3      LYS 103  -1.722  10.301 -29.335
  770    HD2  LYS 103           HD2      LYS 103  -4.538  10.235 -30.472
  771    HD3  LYS 103           HD3      LYS 103  -3.640  11.720 -30.105
  772    HE2  LYS 103           HE2      LYS 103  -1.823  10.996 -31.658
  773    HE3  LYS 103           HE3      LYS 103  -2.766   9.564 -32.092
  774    HZ1  LYS 103           HZ1      LYS 103  -3.634  12.375 -32.548
  775    HZ2  LYS 103           HZ2      LYS 103  -3.092  11.349 -33.702
  776    HZ3  LYS 103           HZ3      LYS 103  -4.507  11.053 -32.947
  777    H    MET 104           H        MET 104  -3.455   6.459 -27.018
  778    HA   MET 104           HA       MET 104  -2.906   3.718 -28.110
  779    HB2  MET 104           HB2      MET 104  -3.528   4.290 -25.195
  780    HB3  MET 104           HB3      MET 104  -2.980   2.788 -25.917
  781    HG2  MET 104           HG2      MET 104  -1.354   5.347 -25.580
  782    HG3  MET 104           HG3      MET 104  -1.214   3.894 -24.608
  783    HE1  MET 104           HE1      MET 104   2.166   4.230 -26.613
  784    HE2  MET 104           HE2      MET 104   1.113   5.588 -26.161
  785    HE3  MET 104           HE3      MET 104   1.405   4.261 -25.002
  786    H    LYS 105           H        LYS 105  -4.713   2.340 -28.262
  787    HA   LYS 105           HA       LYS 105  -7.244   3.730 -28.656
  788    HB2  LYS 105           HB2      LYS 105  -6.477   0.784 -28.882
  789    HB3  LYS 105           HB3      LYS 105  -8.041   1.464 -29.360
  790    HG2  LYS 105           HG2      LYS 105  -6.902   2.943 -31.007
  791    HG3  LYS 105           HG3      LYS 105  -5.347   2.206 -30.572
  792    HD2  LYS 105           HD2      LYS 105  -6.204  -0.021 -31.286
  793    HD3  LYS 105           HD3      LYS 105  -7.770   0.705 -31.664
  794    HE2  LYS 105           HE2      LYS 105  -6.649   0.455 -33.742
  795    HE3  LYS 105           HE3      LYS 105  -6.650   2.178 -33.373
  796    HZ1  LYS 105           HZ1      LYS 105  -4.318   1.947 -32.647
  797    HZ2  LYS 105           HZ2      LYS 105  -4.340   0.337 -32.953
  798    HZ3  LYS 105           HZ3      LYS 105  -4.482   1.407 -34.174
  799    H    TYR 106           H        TYR 106  -9.226   3.473 -27.625
  800    HA   TYR 106           HA       TYR 106  -9.215   2.851 -24.788
  801    HB2  TYR 106           HB2      TYR 106 -11.596   3.389 -24.901
  802    HB3  TYR 106           HB3      TYR 106 -10.598   4.602 -25.669
  803    HD1  TYR 106           HD2      TYR 106 -12.786   1.635 -26.434
  804    HD2  TYR 106           HD1      TYR 106 -11.102   5.338 -27.867
  805    HE1  TYR 106           HE2      TYR 106 -14.102   1.418 -28.519
  806    HE2  TYR 106           HE1      TYR 106 -12.465   5.153 -29.937
  807    HH   TYR 106           HH       TYR 106 -14.562   2.319 -30.604
  808    H    SER 107           H        SER 107  -9.803   0.890 -27.606
  809    HA   SER 107           HA       SER 107 -11.464  -1.121 -26.555
  810    HB2  SER 107           HB2      SER 107  -9.359  -1.456 -28.718
  811    HB3  SER 107           HB3      SER 107 -10.896  -2.331 -28.543
  812    HG   SER 107           HG       SER 107 -11.103  -0.687 -30.128
  813    H    ILE 108           H        ILE 108  -8.361  -0.560 -25.430
  814    HA   ILE 108           HA       ILE 108  -7.273  -3.199 -25.206
  815    HB   ILE 108           HB       ILE 108  -5.967  -1.136 -25.001
  816   HG12  ILE 108          HG12      ILE 108  -5.735  -2.791 -22.456
  817   HG13  ILE 108          HG13      ILE 108  -5.172  -3.313 -24.052
  818   HG21  ILE 108          HG21      ILE 108  -7.603   0.236 -23.691
  819   HG22  ILE 108          HG22      ILE 108  -7.235  -0.732 -22.256
  820   HG23  ILE 108          HG23      ILE 108  -5.982   0.270 -23.008
  821   HD11  ILE 108          HD11      ILE 108  -3.642  -1.345 -24.143
  822   HD12  ILE 108          HD12      ILE 108  -4.121  -0.935 -22.479
  823   HD13  ILE 108          HD13      ILE 108  -3.299  -2.465 -22.805
  824    H    VAL 109           H        VAL 109  -7.338  -4.730 -23.538
  825    HA   VAL 109           HA       VAL 109  -9.889  -5.159 -22.502
  826    HB   VAL 109           HB       VAL 109  -8.170  -6.856 -23.130
  827   HG11  VAL 109          HG11      VAL 109  -6.267  -6.033 -21.743
  828   HG12  VAL 109          HG12      VAL 109  -7.133  -6.558 -20.284
  829   HG13  VAL 109          HG13      VAL 109  -6.626  -7.751 -21.487
  830   HG21  VAL 109          HG21      VAL 109 -10.316  -7.473 -22.045
  831   HG22  VAL 109          HG22      VAL 109  -8.993  -8.608 -21.710
  832   HG23  VAL 109          HG23      VAL 109  -9.494  -7.455 -20.465
  833    H    SER 110           H        SER 110  -7.372  -3.366 -20.862
  834    HA   SER 110           HA       SER 110  -9.034  -2.935 -18.519
  835    HB2  SER 110           HB2      SER 110  -7.975  -5.216 -18.118
  836    HB3  SER 110           HB3      SER 110  -6.412  -4.389 -18.046
  837    HG   SER 110           HG       SER 110  -7.472  -4.686 -15.950
  838    H    ARG 111           H        ARG 111  -7.548  -1.794 -16.759
  839    HA   ARG 111           HA       ARG 111  -6.855   0.750 -17.749
  840    HB2  ARG 111           HB2      ARG 111  -7.586   0.105 -15.435
  841    HB3  ARG 111           HB3      ARG 111  -5.977  -0.572 -15.157
  842    HG2  ARG 111           HG2      ARG 111  -5.000   1.727 -15.539
  843    HG3  ARG 111           HG3      ARG 111  -6.641   2.350 -15.780
  844    HD2  ARG 111           HD2      ARG 111  -5.934   2.813 -13.502
  845    HD3  ARG 111           HD3      ARG 111  -7.238   1.612 -13.481
  846    HE   ARG 111           HE       ARG 111  -4.544   0.439 -13.564
  847   HH11  ARG 111          HH11      ARG 111  -6.977   1.563 -11.232
  848   HH12  ARG 111          HH12      ARG 111  -6.159   0.761  -9.918
  849   HH21  ARG 111          HH21      ARG 111  -3.749  -0.661 -12.031
  850   HH22  ARG 111          HH22      ARG 111  -4.428  -0.689 -10.399
  851    H    ASN 112           H        ASN 112  -4.976   1.750 -18.316
  852    HA   ASN 112           HA       ASN 112  -2.590  -0.012 -18.744
  853    HB2  ASN 112           HB2      ASN 112  -4.142   0.613 -20.664
  854    HB3  ASN 112           HB3      ASN 112  -3.599   2.273 -20.473
  855   HD21  ASN 112          HD22      ASN 112  -2.541   2.434 -22.516
  856   HD22  ASN 112          HD21      ASN 112  -1.146   1.450 -22.919
  857    H    CYS 113           H        CYS 113  -3.276   2.775 -16.886
  858    HA   CYS 113           HA       CYS 113  -1.045   4.441 -17.639
  859    HB2  CYS 113           HB2      CYS 113  -2.633   4.272 -15.022
  860    HB3  CYS 113           HB3      CYS 113  -1.545   5.603 -15.474
  861    HG   CYS 113           HG       CYS 113  -2.847   6.567 -17.420
  862    H    GLU 114           H        GLU 114  -1.302   1.897 -15.172
  863    HA   GLU 114           HA       GLU 114   1.386   2.276 -14.095
  864    HB2  GLU 114           HB2      GLU 114   1.029   0.379 -12.789
  865    HB3  GLU 114           HB3      GLU 114  -0.456   1.303 -12.755
  866    HG2  GLU 114           HG2      GLU 114   0.001  -1.247 -14.346
  867    HG3  GLU 114           HG3      GLU 114  -0.826  -1.117 -12.807
  868    H    HIS 115           H        HIS 115  -0.171   0.046 -16.428
  869    HA   HIS 115           HA       HIS 115   2.169  -1.418 -17.170
  870    HB2  HIS 115           HB2      HIS 115  -0.307  -0.650 -18.762
  871    HB3  HIS 115           HB3      HIS 115   0.891  -1.811 -19.309
  872    HD1  HIS 115           HD1      HIS 115  -1.945  -1.495 -16.717
  873    HD2  HIS 115           HD2      HIS 115   0.906  -4.243 -18.159
  874    HE1  HIS 115           HE1      HIS 115  -2.633  -3.777 -15.834
  875    H    PHE 116           H        PHE 116   0.890   1.661 -18.538
  876    HA   PHE 116           HA       PHE 116   2.903   2.099 -20.458
  877    HB2  PHE 116           HB2      PHE 116   1.007   3.484 -20.571
  878    HB3  PHE 116           HB3      PHE 116   1.071   3.914 -18.866
  879    HD1  PHE 116           HD1      PHE 116   3.145   4.190 -21.982
  880    HD2  PHE 116           HD2      PHE 116   2.025   5.979 -18.226
  881    HE1  PHE 116           HE1      PHE 116   4.658   6.099 -22.431
  882    HE2  PHE 116           HE2      PHE 116   3.555   7.888 -18.683
  883    HZ   PHE 116           HZ       PHE 116   4.872   7.944 -20.791
  884    H    VAL 117           H        VAL 117   2.854   3.434 -17.045
  885    HA   VAL 117           HA       VAL 117   5.554   4.392 -17.416
  886    HB   VAL 117           HB       VAL 117   5.751   4.791 -15.053
  887   HG11  VAL 117          HG11      VAL 117   4.635   6.460 -16.459
  888   HG12  VAL 117          HG12      VAL 117   3.054   5.717 -16.094
  889   HG13  VAL 117          HG13      VAL 117   4.023   6.452 -14.804
  890   HG21  VAL 117          HG21      VAL 117   2.979   3.611 -14.689
  891   HG22  VAL 117          HG22      VAL 117   4.473   2.790 -14.196
  892   HG23  VAL 117          HG23      VAL 117   4.022   4.320 -13.444
  893    H    THR 118           H        THR 118   4.407   1.213 -16.515
  894    HA   THR 118           HA       THR 118   6.909   0.086 -15.631
  895    HB   THR 118           HB       THR 118   4.550  -1.156 -16.910
  896    HG1  THR 118           HG1      THR 118   4.018  -0.360 -14.953
  897   HG21  THR 118          HG21      THR 118   6.400  -2.708 -17.216
  898   HG22  THR 118          HG22      THR 118   6.903  -2.490 -15.528
  899   HG23  THR 118          HG23      THR 118   5.362  -3.294 -15.909
  900    H    GLN 119           H        GLN 119   5.399   0.222 -18.855
  901    HA   GLN 119           HA       GLN 119   7.427  -1.150 -20.263
  902    HB2  GLN 119           HB2      GLN 119   5.393   0.949 -21.074
  903    HB3  GLN 119           HB3      GLN 119   6.473   0.192 -22.249
  904    HG2  GLN 119           HG2      GLN 119   5.568  -1.977 -21.907
  905    HG3  GLN 119           HG3      GLN 119   4.751  -1.518 -20.424
  906   HE21  GLN 119          HE22      GLN 119   2.988  -2.729 -21.829
  907   HE22  GLN 119          HE21      GLN 119   1.987  -1.652 -22.785
  908    H    LEU 120           H        LEU 120   7.368   2.234 -19.209
  909    HA   LEU 120           HA       LEU 120   9.519   3.173 -20.852
  910    HB2  LEU 120           HB2      LEU 120   8.774   4.060 -18.029
  911    HB3  LEU 120           HB3      LEU 120   9.745   4.972 -19.178
  912    HG   LEU 120           HG       LEU 120   6.793   4.287 -19.490
  913   HD11  LEU 120          HD11      LEU 120   6.428   6.666 -19.139
  914   HD12  LEU 120          HD12      LEU 120   7.304   5.972 -17.768
  915   HD13  LEU 120          HD13      LEU 120   8.174   6.934 -18.981
  916   HD21  LEU 120          HD21      LEU 120   8.690   5.779 -21.334
  917   HD22  LEU 120          HD22      LEU 120   7.700   4.354 -21.712
  918   HD23  LEU 120          HD23      LEU 120   6.923   5.911 -21.428
  919    H    ARG 121           H        ARG 121   9.627   1.359 -17.801
  920    HA   ARG 121           HA       ARG 121  12.619   1.438 -17.799
  921    HB2  ARG 121           HB2      ARG 121  11.436   1.859 -15.678
  922    HB3  ARG 121           HB3      ARG 121  10.674   0.263 -15.770
  923    HG2  ARG 121           HG2      ARG 121  12.880  -0.829 -15.646
  924    HG3  ARG 121           HG3      ARG 121  13.699   0.741 -15.718
  925    HD2  ARG 121           HD2      ARG 121  12.836   1.361 -13.545
  926    HD3  ARG 121           HD3      ARG 121  11.784  -0.070 -13.479
  927    HE   ARG 121           HE       ARG 121  14.141  -1.293 -13.744
  928   HH11  ARG 121          HH11      ARG 121  13.306   1.288 -11.435
  929   HH12  ARG 121          HH12      ARG 121  14.490   0.716 -10.295
  930   HH21  ARG 121          HH21      ARG 121  15.653  -1.899 -12.215
  931   HH22  ARG 121          HH22      ARG 121  15.687  -1.058 -10.666
  932    H    TYR 122           H        TYR 122   9.916  -0.956 -17.919
  933    HA   TYR 122           HA       TYR 122  11.552  -3.270 -18.145
  934    HB2  TYR 122           HB2      TYR 122   9.228  -3.288 -17.406
  935    HB3  TYR 122           HB3      TYR 122   8.687  -2.675 -18.963
  936    HD1  TYR 122           HD2      TYR 122  10.822  -5.547 -17.735
  937    HD2  TYR 122           HD1      TYR 122   7.621  -4.248 -20.314
  938    HE1  TYR 122           HE2      TYR 122  10.534  -7.877 -18.540
  939    HE2  TYR 122           HE1      TYR 122   7.327  -6.574 -21.125
  940    HH   TYR 122           HH       TYR 122   8.050  -8.768 -20.983
  941    H    GLY 123           H        GLY 123  10.377  -1.068 -20.682
  942    HA2  GLY 123           HA2      GLY 123  11.034  -2.773 -22.925
  943    HA3  GLY 123           HA3      GLY 123  10.666  -1.035 -22.963
  944    H    LYS 124           H        LYS 124  13.098  -0.986 -20.829
  945    HA   LYS 124           HA       LYS 124  15.161  -0.287 -22.684
  946    HB2  LYS 124           HB2      LYS 124  14.683   0.513 -20.259
  947    HB3  LYS 124           HB3      LYS 124  15.461  -0.956 -19.721
  948    HG2  LYS 124           HG2      LYS 124  16.671   1.387 -21.222
  949    HG3  LYS 124           HG3      LYS 124  16.913   0.932 -19.554
  950    HD2  LYS 124           HD2      LYS 124  18.872   0.072 -20.322
  951    HD3  LYS 124           HD3      LYS 124  17.883  -1.328 -20.718
  952    HE2  LYS 124           HE2      LYS 124  17.559  -0.200 -23.060
  953    HE3  LYS 124           HE3      LYS 124  18.766   0.976 -22.552
  954    HZ1  LYS 124           HZ1      LYS 124  19.787  -0.820 -23.813
  955    HZ2  LYS 124           HZ2      LYS 124  20.356  -0.883 -22.285
  956    HZ3  LYS 124           HZ3      LYS 124  19.223  -1.959 -22.793
  957    H    SER 125           H        SER 125  14.607  -3.111 -20.619
  958    HA   SER 125           HA       SER 125  17.008  -4.529 -21.036
  959    HB2  SER 125           HB2      SER 125  14.245  -5.572 -20.340
  960    HB3  SER 125           HB3      SER 125  15.770  -6.447 -20.111
  961    HG   SER 125           HG       SER 125  15.023  -5.253 -18.205
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   5.303  18.346  15.761
    2    H2   MET   1           H2       MET   1   4.922  18.980  14.311
    3    H3   MET   1           H3       MET   1   3.731  18.587  15.355
    4    HA   MET   1           HA       MET   1   5.560  16.664  14.046
    5    HB2  MET   1           HB2      MET   1   3.179  16.146  15.897
    6    HB3  MET   1           HB3      MET   1   3.970  14.915  14.918
    7    HG2  MET   1           HG2      MET   1   6.110  15.313  16.099
    8    HG3  MET   1           HG3      MET   1   5.326  16.533  17.102
    9    HE1  MET   1           HE1      MET   1   4.656  11.955  17.412
   10    HE2  MET   1           HE2      MET   1   4.122  12.837  15.969
   11    HE3  MET   1           HE3      MET   1   5.856  12.748  16.371
   12    H    ALA   2           H        ALA   2   4.607  15.326  12.381
   13    HA   ALA   2           HA       ALA   2   2.024  16.048  11.210
   14    HB1  ALA   2           HB1      ALA   2   4.640  16.656   9.748
   15    HB2  ALA   2           HB2      ALA   2   3.016  16.784   9.050
   16    HB3  ALA   2           HB3      ALA   2   3.493  17.867  10.367
   17    H    SER   3           H        SER   3   1.596  14.736   9.196
   18    HA   SER   3           HA       SER   3   2.394  11.961   9.591
   19    HB2  SER   3           HB2      SER   3   0.817  11.579   7.683
   20    HB3  SER   3           HB3      SER   3   0.113  12.409   9.080
   21    HG   SER   3           HG       SER   3  -0.522  13.438   7.138
   22    HA   PRO   4           HA       PRO   4   5.810  11.819   6.936
   23    HB2  PRO   4           HB2      PRO   4   5.830   9.254   5.939
   24    HB3  PRO   4           HB3      PRO   4   6.159   9.664   7.646
   25    HG2  PRO   4           HG2      PRO   4   3.534   8.763   6.425
   26    HG3  PRO   4           HG3      PRO   4   4.338   8.141   7.903
   27    HD2  PRO   4           HD2      PRO   4   2.355   9.970   8.052
   28    HD3  PRO   4           HD3      PRO   4   3.777  10.082   9.136
   29    H    HIS   5           H        HIS   5   6.488  12.305   4.928
   30    HA   HIS   5           HA       HIS   5   4.731  11.993   2.556
   31    HB2  HIS   5           HB2      HIS   5   5.592  14.585   3.884
   32    HB3  HIS   5           HB3      HIS   5   5.359  14.534   2.144
   33    HD1  HIS   5           HD1      HIS   5   3.251  14.098   5.361
   34    HD2  HIS   5           HD2      HIS   5   2.916  14.525   1.186
   35    HE1  HIS   5           HE1      HIS   5   0.772  14.418   4.868
   36    H    GLN   6           H        GLN   6   5.859  12.718   0.537
   37    HA   GLN   6           HA       GLN   6   8.791  12.087   0.557
   38    HB2  GLN   6           HB2      GLN   6   6.585  10.967  -1.243
   39    HB3  GLN   6           HB3      GLN   6   8.311  10.713  -1.504
   40    HG2  GLN   6           HG2      GLN   6   8.501   9.460   0.597
   41    HG3  GLN   6           HG3      GLN   6   6.786   9.716   0.946
   42   HE21  GLN   6          HE22      GLN   6   8.228   7.093   0.516
   43   HE22  GLN   6          HE21      GLN   6   7.348   6.369  -0.825
   44    H    GLU   7           H        GLU   7   9.870  12.704  -1.462
   45    HA   GLU   7           HA       GLU   7   8.421  14.646  -3.171
   46    HB2  GLU   7           HB2      GLU   7   9.848  15.923  -1.660
   47    HB3  GLU   7           HB3      GLU   7  11.268  14.990  -2.173
   48    HG2  GLU   7           HG2      GLU   7  10.948  15.842  -4.502
   49    HG3  GLU   7           HG3      GLU   7   9.555  16.778  -3.953
   50    HA   PRO   8           HA       PRO   8  10.030  11.542  -5.997
   51    HB2  PRO   8           HB2      PRO   8   9.001  12.414  -8.341
   52    HB3  PRO   8           HB3      PRO   8   7.967  11.777  -7.029
   53    HG2  PRO   8           HG2      PRO   8   8.597  14.687  -7.638
   54    HG3  PRO   8           HG3      PRO   8   6.986  13.943  -7.371
   55    HD2  PRO   8           HD2      PRO   8   8.365  15.214  -5.376
   56    HD3  PRO   8           HD3      PRO   8   7.356  13.775  -5.048
   57    H    LYS   9           H        LYS   9  11.716  11.224  -7.370
   58    HA   LYS   9           HA       LYS   9  13.280  13.543  -8.400
   59    HB2  LYS   9           HB2      LYS   9  14.215  11.059  -6.876
   60    HB3  LYS   9           HB3      LYS   9  15.330  12.082  -7.758
   61    HG2  LYS   9           HG2      LYS   9  13.609  12.951  -5.406
   62    HG3  LYS   9           HG3      LYS   9  15.337  12.608  -5.384
   63    HD2  LYS   9           HD2      LYS   9  15.718  14.500  -6.993
   64    HD3  LYS   9           HD3      LYS   9  13.992  14.889  -6.915
   65    HE2  LYS   9           HE2      LYS   9  14.184  15.094  -4.404
   66    HE3  LYS   9           HE3      LYS   9  15.932  14.854  -4.550
   67    HZ1  LYS   9           HZ1      LYS   9  15.337  17.201  -4.422
   68    HZ2  LYS   9           HZ2      LYS   9  16.024  16.906  -5.879
   69    HZ3  LYS   9           HZ3      LYS   9  14.397  17.111  -5.742
   70    HA   PRO  10           HA       PRO  10  13.577  12.072 -12.371
   71    HB2  PRO  10           HB2      PRO  10  16.544  11.537 -12.016
   72    HB3  PRO  10           HB3      PRO  10  15.700  12.268 -13.420
   73    HG2  PRO  10           HG2      PRO  10  16.838  13.888 -11.607
   74    HG3  PRO  10           HG3      PRO  10  15.168  14.245 -12.157
   75    HD2  PRO  10           HD2      PRO  10  16.075  12.884  -9.621
   76    HD3  PRO  10           HD3      PRO  10  14.813  14.133  -9.837
   77    H    GLY  11           H        GLY  11  12.766  10.247 -13.189
   78    HA2  GLY  11           HA2      GLY  11  12.806   8.017 -13.940
   79    HA3  GLY  11           HA3      GLY  11  14.056   7.615 -12.739
   80    H    ASP  12           H        ASP  12  11.979   9.165 -10.780
   81    HA   ASP  12           HA       ASP  12  10.990   6.752  -9.662
   82    HB2  ASP  12           HB2      ASP  12  10.315   9.651  -9.103
   83    HB3  ASP  12           HB3      ASP  12   9.538   8.325  -8.266
   84    H    LEU  13           H        LEU  13   9.156   5.721  -9.646
   85    HA   LEU  13           HA       LEU  13   6.968   6.423 -11.527
   86    HB2  LEU  13           HB2      LEU  13   7.552   3.994  -9.759
   87    HB3  LEU  13           HB3      LEU  13   6.105   4.153 -10.742
   88    HG   LEU  13           HG       LEU  13   8.936   4.163 -11.891
   89   HD11  LEU  13          HD11      LEU  13   8.441   1.991 -10.839
   90   HD12  LEU  13          HD12      LEU  13   6.908   1.890 -11.731
   91   HD13  LEU  13          HD13      LEU  13   8.455   1.844 -12.604
   92   HD21  LEU  13          HD21      LEU  13   7.186   5.279 -13.304
   93   HD22  LEU  13          HD22      LEU  13   7.785   3.775 -14.034
   94   HD23  LEU  13          HD23      LEU  13   6.215   3.801 -13.205
   95    H    ILE  14           H        ILE  14   5.340   7.604 -10.825
   96    HA   ILE  14           HA       ILE  14   4.818   7.848  -7.871
   97    HB   ILE  14           HB       ILE  14   3.940   9.678 -10.147
   98   HG12  ILE  14          HG12      ILE  14   6.151  10.046  -8.071
   99   HG13  ILE  14          HG13      ILE  14   6.374   9.844  -9.811
  100   HG21  ILE  14          HG21      ILE  14   3.123  11.173  -8.372
  101   HG22  ILE  14          HG22      ILE  14   2.372   9.607  -8.181
  102   HG23  ILE  14          HG23      ILE  14   3.724  10.058  -7.121
  103   HD11  ILE  14          HD11      ILE  14   5.088  11.982 -10.174
  104   HD12  ILE  14          HD12      ILE  14   5.123  12.219  -8.406
  105   HD13  ILE  14          HD13      ILE  14   6.629  12.168  -9.314
  106    H    GLU  15           H        GLU  15   2.971   7.053  -7.096
  107    HA   GLU  15           HA       GLU  15   0.851   6.048  -8.947
  108    HB2  GLU  15           HB2      GLU  15   1.910   4.353  -7.528
  109    HB3  GLU  15           HB3      GLU  15   1.555   5.308  -6.076
  110    HG2  GLU  15           HG2      GLU  15  -0.848   5.008  -6.424
  111    HG3  GLU  15           HG3      GLU  15  -0.562   4.220  -7.976
  112    H    ILE  16           H        ILE  16  -1.048   7.086  -8.878
  113    HA   ILE  16           HA       ILE  16  -1.501   9.255  -6.854
  114    HB   ILE  16           HB       ILE  16  -2.260   9.229  -9.803
  115   HG12  ILE  16          HG12      ILE  16   0.013  10.780  -8.484
  116   HG13  ILE  16          HG13      ILE  16   0.233   9.371  -9.523
  117   HG21  ILE  16          HG21      ILE  16  -3.746  10.546  -8.308
  118   HG22  ILE  16          HG22      ILE  16  -2.343  11.444  -7.702
  119   HG23  ILE  16          HG23      ILE  16  -2.857  11.597  -9.399
  120   HD11  ILE  16          HD11      ILE  16  -0.833  10.567 -11.415
  121   HD12  ILE  16          HD12      ILE  16  -0.914  12.033 -10.406
  122   HD13  ILE  16          HD13      ILE  16   0.653  11.332 -10.821
  123    H    PHE  17           H        PHE  17  -3.254   8.921  -5.686
  124    HA   PHE  17           HA       PHE  17  -5.017   6.658  -6.331
  125    HB2  PHE  17           HB2      PHE  17  -4.829   8.343  -3.808
  126    HB3  PHE  17           HB3      PHE  17  -5.638   6.793  -3.979
  127    HD1  PHE  17           HD1      PHE  17  -4.219   4.720  -4.562
  128    HD2  PHE  17           HD2      PHE  17  -2.489   8.445  -3.257
  129    HE1  PHE  17           HE1      PHE  17  -2.109   3.545  -3.976
  130    HE2  PHE  17           HE2      PHE  17  -0.381   7.277  -2.699
  131    HZ   PHE  17           HZ       PHE  17  -0.181   4.822  -3.057
  132    H    ARG  18           H        ARG  18  -5.664   8.434  -8.164
  133    HA   ARG  18           HA       ARG  18  -7.723  10.319  -7.457
  134    HB2  ARG  18           HB2      ARG  18  -6.369  10.362  -9.562
  135    HB3  ARG  18           HB3      ARG  18  -7.262   8.958 -10.158
  136    HG2  ARG  18           HG2      ARG  18  -9.354  10.228 -10.184
  137    HG3  ARG  18           HG3      ARG  18  -8.607  11.551  -9.306
  138    HD2  ARG  18           HD2      ARG  18  -8.619  12.414 -11.441
  139    HD3  ARG  18           HD3      ARG  18  -7.001  11.740 -11.364
  140    HE   ARG  18           HE       ARG  18  -7.568  10.194 -13.006
  141   HH11  ARG  18          HH11      ARG  18 -10.636  11.581 -11.851
  142   HH12  ARG  18          HH12      ARG  18 -11.502  10.967 -13.225
  143   HH21  ARG  18          HH21      ARG  18  -8.709   9.511 -14.704
  144   HH22  ARG  18          HH22      ARG  18 -10.438   9.785 -14.829
  145    H    LEU  19           H        LEU  19  -9.994  10.149  -7.698
  146    HA   LEU  19           HA       LEU  19 -11.192   7.702  -6.830
  147    HB2  LEU  19           HB2      LEU  19 -12.482  10.205  -8.000
  148    HB3  LEU  19           HB3      LEU  19 -13.344   8.920  -7.164
  149    HG   LEU  19           HG       LEU  19 -11.264  10.754  -5.897
  150   HD11  LEU  19          HD11      LEU  19 -14.292  10.613  -5.565
  151   HD12  LEU  19          HD12      LEU  19 -13.184  11.704  -4.698
  152   HD13  LEU  19          HD13      LEU  19 -13.397  11.872  -6.448
  153   HD21  LEU  19          HD21      LEU  19 -11.203   8.575  -4.766
  154   HD22  LEU  19          HD22      LEU  19 -12.022   9.757  -3.741
  155   HD23  LEU  19          HD23      LEU  19 -12.980   8.563  -4.641
  156    H    GLY  20           H        GLY  20 -12.681   6.329  -7.842
  157    HA2  GLY  20           HA2      GLY  20 -13.704   5.140  -9.558
  158    HA3  GLY  20           HA3      GLY  20 -13.138   6.349 -10.731
  159    H    TYR  21           H        TYR  21 -10.402   6.233 -10.315
  160    HA   TYR  21           HA       TYR  21  -9.274   3.612 -10.274
  161    HB2  TYR  21           HB2      TYR  21 -10.185   3.317 -12.447
  162    HB3  TYR  21           HB3      TYR  21  -9.725   4.947 -12.939
  163    HD1  TYR  21           HD2      TYR  21  -7.929   1.903 -11.563
  164    HD2  TYR  21           HD1      TYR  21  -8.092   5.002 -14.553
  165    HE1  TYR  21           HE2      TYR  21  -5.883   0.986 -12.624
  166    HE2  TYR  21           HE1      TYR  21  -6.069   4.061 -15.645
  167    HH   TYR  21           HH       TYR  21  -4.381   1.155 -14.364
  168    H    GLU  22           H        GLU  22  -7.254   3.704  -9.812
  169    HA   GLU  22           HA       GLU  22  -5.833   6.091  -9.190
  170    HB2  GLU  22           HB2      GLU  22  -4.695   3.293  -9.597
  171    HB3  GLU  22           HB3      GLU  22  -3.954   4.629  -8.718
  172    HG2  GLU  22           HG2      GLU  22  -4.788   3.514  -6.942
  173    HG3  GLU  22           HG3      GLU  22  -6.220   4.480  -7.283
  174    H    HIS  23           H        HIS  23  -3.824   6.868 -10.092
  175    HA   HIS  23           HA       HIS  23  -3.386   6.318 -13.002
  176    HB2  HIS  23           HB2      HIS  23  -3.815   9.011 -11.671
  177    HB3  HIS  23           HB3      HIS  23  -2.963   8.835 -13.202
  178    HD1  HIS  23           HD1      HIS  23  -5.910   6.489 -12.966
  179    HD2  HIS  23           HD2      HIS  23  -4.987  10.394 -14.213
  180    HE1  HIS  23           HE1      HIS  23  -7.866   7.264 -14.392
  181    H    TRP  24           H        TRP  24  -1.210   7.211 -13.720
  182    HA   TRP  24           HA       TRP  24   0.820   7.140 -11.555
  183    HB2  TRP  24           HB2      TRP  24   0.563   5.147 -13.834
  184    HB3  TRP  24           HB3      TRP  24   2.087   5.500 -13.042
  185    HD1  TRP  24           HD1      TRP  24   2.662   4.416 -10.836
  186    HE1  TRP  24           HE1      TRP  24   1.617   2.559  -9.408
  187    HE3  TRP  24           HE3      TRP  24  -1.982   4.252 -12.981
  188    HZ2  TRP  24           HZ2      TRP  24  -0.927   1.215  -9.189
  189    HZ3  TRP  24           HZ3      TRP  24  -3.700   2.679 -12.138
  190    HH2  TRP  24           HH2      TRP  24  -3.184   1.156 -10.245
  191    H    ALA  25           H        ALA  25   2.858   7.891 -12.121
  192    HA   ALA  25           HA       ALA  25   3.240   9.096 -14.816
  193    HB1  ALA  25           HB1      ALA  25   3.684  11.303 -13.912
  194    HB2  ALA  25           HB2      ALA  25   2.069  10.808 -13.389
  195    HB3  ALA  25           HB3      ALA  25   3.431  10.742 -12.248
  196    H    LEU  26           H        LEU  26   5.337   9.419 -15.417
  197    HA   LEU  26           HA       LEU  26   7.539   8.341 -13.713
  198    HB2  LEU  26           HB2      LEU  26   6.985   7.650 -16.191
  199    HB3  LEU  26           HB3      LEU  26   7.611   9.212 -16.651
  200    HG   LEU  26           HG       LEU  26   9.264   7.567 -17.051
  201   HD11  LEU  26          HD11      LEU  26  10.111   9.714 -16.090
  202   HD12  LEU  26          HD12      LEU  26  10.211   8.917 -14.498
  203   HD13  LEU  26          HD13      LEU  26  11.188   8.332 -15.850
  204   HD21  LEU  26          HD21      LEU  26   8.427   5.809 -15.519
  205   HD22  LEU  26          HD22      LEU  26  10.171   6.049 -15.345
  206   HD23  LEU  26          HD23      LEU  26   9.072   6.710 -14.122
  207    H    TYR  27           H        TYR  27   8.643   9.893 -12.517
  208    HA   TYR  27           HA       TYR  27   8.330  12.742 -13.198
  209    HB2  TYR  27           HB2      TYR  27   8.219  11.893 -10.876
  210    HB3  TYR  27           HB3      TYR  27   9.905  11.417 -10.968
  211    HD1  TYR  27           HD2      TYR  27  11.682  13.128 -11.045
  212    HD2  TYR  27           HD1      TYR  27   7.553  14.259 -10.667
  213    HE1  TYR  27           HE2      TYR  27  12.381  15.359 -10.185
  214    HE2  TYR  27           HE1      TYR  27   8.242  16.539  -9.947
  215    HH   TYR  27           HH       TYR  27  11.676  17.435  -9.430
  216    H    ILE  28           H        ILE  28   9.755  14.096 -14.149
  217    HA   ILE  28           HA       ILE  28  12.291  12.814 -15.165
  218    HB   ILE  28           HB       ILE  28  11.996  13.978 -17.213
  219   HG12  ILE  28          HG12      ILE  28   9.314  15.052 -16.269
  220   HG13  ILE  28          HG13      ILE  28  10.790  16.026 -16.254
  221   HG21  ILE  28          HG21      ILE  28  10.218  12.674 -18.114
  222   HG22  ILE  28          HG22      ILE  28  10.812  11.757 -16.733
  223   HG23  ILE  28          HG23      ILE  28   9.303  12.673 -16.596
  224   HD11  ILE  28          HD11      ILE  28  11.037  15.675 -18.698
  225   HD12  ILE  28          HD12      ILE  28   9.519  14.758 -18.712
  226   HD13  ILE  28          HD13      ILE  28   9.504  16.477 -18.269
  227    H    GLY  29           H        GLY  29  11.504  15.146 -12.994
  228    HA2  GLY  29           HA2      GLY  29  13.186  16.507 -11.907
  229    HA3  GLY  29           HA3      GLY  29  14.083  16.622 -13.425
  230    H    ASP  30           H        ASP  30  13.707  18.851 -12.069
  231    HA   ASP  30           HA       ASP  30  13.111  21.010 -12.217
  232    HB2  ASP  30           HB2      ASP  30  13.778  20.441 -14.598
  233    HB3  ASP  30           HB3      ASP  30  12.062  20.374 -14.993
  234    H    GLY  31           H        GLY  31  10.947  18.996 -11.385
  235    HA2  GLY  31           HA2      GLY  31   8.855  19.292 -10.368
  236    HA3  GLY  31           HA3      GLY  31   8.662  20.859 -11.184
  237    H    TYR  32           H        TYR  32   9.581  18.546 -13.490
  238    HA   TYR  32           HA       TYR  32   6.763  18.294 -14.398
  239    HB2  TYR  32           HB2      TYR  32   9.426  18.345 -15.826
  240    HB3  TYR  32           HB3      TYR  32   8.019  17.639 -16.595
  241    HD1  TYR  32           HD2      TYR  32   9.389  20.808 -15.220
  242    HD2  TYR  32           HD1      TYR  32   6.202  18.939 -17.439
  243    HE1  TYR  32           HE2      TYR  32   8.574  23.043 -15.916
  244    HE2  TYR  32           HE1      TYR  32   5.368  21.182 -18.131
  245    HH   TYR  32           HH       TYR  32   6.967  24.226 -17.097
  246    H    VAL  33           H        VAL  33   5.951  16.494 -15.361
  247    HA   VAL  33           HA       VAL  33   7.246  13.844 -14.846
  248    HB   VAL  33           HB       VAL  33   4.981  12.945 -14.376
  249   HG11  VAL  33          HG11      VAL  33   5.867  15.030 -12.368
  250   HG12  VAL  33          HG12      VAL  33   4.735  13.693 -12.059
  251   HG13  VAL  33          HG13      VAL  33   6.406  13.332 -12.480
  252   HG21  VAL  33          HG21      VAL  33   4.027  15.789 -13.910
  253   HG22  VAL  33          HG22      VAL  33   3.653  14.879 -15.387
  254   HG23  VAL  33          HG23      VAL  33   3.100  14.289 -13.804
  255    H    ILE  34           H        ILE  34   6.328  12.144 -16.166
  256    HA   ILE  34           HA       ILE  34   4.782  13.032 -18.571
  257    HB   ILE  34           HB       ILE  34   7.190  11.184 -18.401
  258   HG12  ILE  34          HG12      ILE  34   6.415  13.508 -20.227
  259   HG13  ILE  34          HG13      ILE  34   7.481  13.625 -18.833
  260   HG21  ILE  34          HG21      ILE  34   5.063  11.288 -20.612
  261   HG22  ILE  34          HG22      ILE  34   6.635  10.479 -20.774
  262   HG23  ILE  34          HG23      ILE  34   5.475   9.882 -19.604
  263   HD11  ILE  34          HD11      ILE  34   8.807  13.605 -20.838
  264   HD12  ILE  34          HD12      ILE  34   9.096  12.094 -19.959
  265   HD13  ILE  34          HD13      ILE  34   8.065  12.105 -21.398
  266    H    HIS  35           H        HIS  35   2.952  11.818 -18.999
  267    HA   HIS  35           HA       HIS  35   2.343   9.440 -17.342
  268    HB2  HIS  35           HB2      HIS  35   0.554  10.515 -16.135
  269    HB3  HIS  35           HB3      HIS  35   2.001  11.482 -15.881
  270    HD1  HIS  35           HD1      HIS  35  -1.507  11.769 -17.225
  271    HD2  HIS  35           HD2      HIS  35   2.151  13.837 -17.445
  272    HE1  HIS  35           HE1      HIS  35  -2.043  14.111 -18.087
  273    H    LEU  36           H        LEU  36   0.064   8.651 -17.832
  274    HA   LEU  36           HA       LEU  36  -0.662   9.179 -20.661
  275    HB2  LEU  36           HB2      LEU  36  -0.476   6.832 -19.772
  276    HB3  LEU  36           HB3      LEU  36  -1.765   7.188 -18.617
  277    HG   LEU  36           HG       LEU  36  -3.332   7.567 -20.534
  278   HD11  LEU  36          HD11      LEU  36  -2.677   6.827 -22.798
  279   HD12  LEU  36          HD12      LEU  36  -1.693   8.190 -22.292
  280   HD13  LEU  36          HD13      LEU  36  -1.009   6.553 -22.243
  281   HD21  LEU  36          HD21      LEU  36  -3.543   5.190 -21.173
  282   HD22  LEU  36          HD22      LEU  36  -1.906   4.870 -20.558
  283   HD23  LEU  36          HD23      LEU  36  -3.201   5.356 -19.444
  284    H    ALA  37           H        ALA  37  -2.537  10.336 -21.216
  285    HA   ALA  37           HA       ALA  37  -4.056  11.621 -18.980
  286    HB1  ALA  37           HB1      ALA  37  -3.400  12.625 -21.781
  287    HB2  ALA  37           HB2      ALA  37  -4.282  13.513 -20.517
  288    HB3  ALA  37           HB3      ALA  37  -2.566  13.097 -20.290
  289    HA   PRO  38           HA       PRO  38  -7.237   9.128 -20.945
  290    HB2  PRO  38           HB2      PRO  38  -9.290   9.435 -19.179
  291    HB3  PRO  38           HB3      PRO  38  -7.782   8.554 -18.773
  292    HG2  PRO  38           HG2      PRO  38  -8.455  11.444 -18.138
  293    HG3  PRO  38           HG3      PRO  38  -7.873  10.169 -17.017
  294    HD2  PRO  38           HD2      PRO  38  -6.176  11.945 -18.199
  295    HD3  PRO  38           HD3      PRO  38  -5.697  10.243 -17.899
  296    HA   PRO  39           HA       PRO  39  -9.953  11.967 -23.200
  297    HB2  PRO  39           HB2      PRO  39 -12.122  10.412 -23.765
  298    HB3  PRO  39           HB3      PRO  39 -10.530  10.165 -24.547
  299    HG2  PRO  39           HG2      PRO  39 -11.665   8.708 -22.137
  300    HG3  PRO  39           HG3      PRO  39 -10.916   7.993 -23.599
  301    HD2  PRO  39           HD2      PRO  39  -9.498   8.372 -21.321
  302    HD3  PRO  39           HD3      PRO  39  -8.748   8.635 -22.922
  303    H    SER  40           H        SER  40 -11.456  13.512 -22.571
  304    HA   SER  40           HA       SER  40 -12.504  13.330 -19.836
  305    HB2  SER  40           HB2      SER  40 -13.069  15.718 -20.250
  306    HB3  SER  40           HB3      SER  40 -11.361  15.322 -20.492
  307    HG   SER  40           HG       SER  40 -12.175  16.654 -22.200
  308    H    GLU  41           H        GLU  41 -13.897  13.573 -23.108
  309    HA   GLU  41           HA       GLU  41 -16.496  12.546 -22.363
  310    HB2  GLU  41           HB2      GLU  41 -16.595  14.904 -21.467
  311    HB3  GLU  41           HB3      GLU  41 -16.286  15.500 -23.098
  312    HG2  GLU  41           HG2      GLU  41 -18.411  14.581 -23.878
  313    HG3  GLU  41           HG3      GLU  41 -18.662  13.749 -22.337
  314    H    TYR  42           H        TYR  42 -17.770  12.074 -24.227
  315    HA   TYR  42           HA       TYR  42 -16.419  11.560 -26.653
  316    HB2  TYR  42           HB2      TYR  42 -19.395  11.892 -26.166
  317    HB3  TYR  42           HB3      TYR  42 -18.670  11.159 -27.585
  318    HD1  TYR  42           HD2      TYR  42 -17.133   9.068 -27.211
  319    HD2  TYR  42           HD1      TYR  42 -19.956  10.536 -24.301
  320    HE1  TYR  42           HE2      TYR  42 -17.150   6.840 -26.115
  321    HE2  TYR  42           HE1      TYR  42 -19.980   8.305 -23.198
  322    HH   TYR  42           HH       TYR  42 -18.023   5.546 -24.404
  323    HA   PRO  43           HA       PRO  43 -16.394  15.584 -28.588
  324    HB2  PRO  43           HB2      PRO  43 -15.857  14.928 -31.191
  325    HB3  PRO  43           HB3      PRO  43 -14.661  14.765 -29.869
  326    HG2  PRO  43           HG2      PRO  43 -16.484  12.622 -30.996
  327    HG3  PRO  43           HG3      PRO  43 -14.704  12.535 -30.736
  328    HD2  PRO  43           HD2      PRO  43 -16.417  11.525 -28.906
  329    HD3  PRO  43           HD3      PRO  43 -14.955  12.423 -28.392
  330    H    GLY  44           H        GLY  44 -17.563  16.961 -30.009
  331    HA2  GLY  44           HA2      GLY  44 -19.394  17.780 -31.150
  332    HA3  GLY  44           HA3      GLY  44 -19.694  16.131 -31.719
  333    H    ALA  45           H        ALA  45 -21.802  15.855 -31.444
  334    HA   ALA  45           HA       ALA  45 -23.257  16.628 -28.997
  335    HB1  ALA  45           HB1      ALA  45 -24.118  15.130 -31.518
  336    HB2  ALA  45           HB2      ALA  45 -25.192  15.778 -30.261
  337    HB3  ALA  45           HB3      ALA  45 -24.242  16.885 -31.265
  338    H    GLY  46           H        GLY  46 -21.141  14.148 -29.546
  339    HA2  GLY  46           HA2      GLY  46 -20.719  12.285 -28.193
  340    HA3  GLY  46           HA3      GLY  46 -22.369  12.356 -27.533
  341    H    SER  47           H        SER  47 -23.569  10.662 -28.122
  342    HA   SER  47           HA       SER  47 -22.785   8.548 -29.667
  343    HB2  SER  47           HB2      SER  47 -25.655   9.421 -29.205
  344    HB3  SER  47           HB3      SER  47 -25.085   7.777 -29.555
  345    HG   SER  47           HG       SER  47 -25.417   8.122 -27.284
  346    H    SER  48           H        SER  48 -24.797  11.277 -30.913
  347    HA   SER  48           HA       SER  48 -25.167  10.134 -33.536
  348    HB2  SER  48           HB2      SER  48 -25.280  13.050 -32.675
  349    HB3  SER  48           HB3      SER  48 -25.970  12.350 -34.148
  350    HG   SER  48           HG       SER  48 -27.570  12.581 -32.488
  351    H    SER  49           H        SER  49 -22.617  12.233 -32.176
  352    HA   SER  49           HA       SER  49 -21.422  12.765 -34.823
  353    HB2  SER  49           HB2      SER  49 -20.417  13.439 -32.036
  354    HB3  SER  49           HB3      SER  49 -19.801  14.090 -33.562
  355    HG   SER  49           HG       SER  49 -21.898  15.055 -33.904
  356    H    VAL  50           H        VAL  50 -20.661  10.657 -32.009
  357    HA   VAL  50           HA       VAL  50 -18.013  10.126 -32.922
  358    HB   VAL  50           HB       VAL  50 -17.911   8.189 -31.402
  359   HG11  VAL  50          HG11      VAL  50 -17.419  10.429 -30.610
  360   HG12  VAL  50          HG12      VAL  50 -19.111  10.679 -30.146
  361   HG13  VAL  50          HG13      VAL  50 -18.138   9.436 -29.332
  362   HG21  VAL  50          HG21      VAL  50 -19.778   7.648 -29.909
  363   HG22  VAL  50          HG22      VAL  50 -20.831   8.762 -30.791
  364   HG23  VAL  50          HG23      VAL  50 -20.196   7.315 -31.596
  365    H    PHE  51           H        PHE  51 -20.915   8.889 -34.247
  366    HA   PHE  51           HA       PHE  51 -19.967   6.470 -35.461
  367    HB2  PHE  51           HB2      PHE  51 -22.329   7.196 -35.409
  368    HB3  PHE  51           HB3      PHE  51 -21.948   8.585 -36.416
  369    HD1  PHE  51           HD2      PHE  51 -22.178   4.865 -36.353
  370    HD2  PHE  51           HD1      PHE  51 -21.720   8.368 -38.828
  371    HE1  PHE  51           HE2      PHE  51 -22.577   3.488 -38.381
  372    HE2  PHE  51           HE1      PHE  51 -22.111   6.988 -40.851
  373    HZ   PHE  51           HZ       PHE  51 -22.540   4.548 -40.635
  374    H    SER  52           H        SER  52 -19.665   9.913 -36.382
  375    HA   SER  52           HA       SER  52 -17.796   9.257 -38.612
  376    HB2  SER  52           HB2      SER  52 -18.882  11.925 -37.635
  377    HB3  SER  52           HB3      SER  52 -17.869  11.665 -39.067
  378    HG   SER  52           HG       SER  52 -20.121  11.765 -39.616
  379    H    VAL  53           H        VAL  53 -17.796  10.887 -35.412
  380    HA   VAL  53           HA       VAL  53 -14.860  11.358 -35.619
  381    HB   VAL  53           HB       VAL  53 -16.707  12.522 -33.507
  382   HG11  VAL  53          HG11      VAL  53 -13.989  13.358 -34.634
  383   HG12  VAL  53          HG12      VAL  53 -14.867  14.165 -33.313
  384   HG13  VAL  53          HG13      VAL  53 -14.219  12.529 -33.093
  385   HG21  VAL  53          HG21      VAL  53 -15.969  13.695 -36.217
  386   HG22  VAL  53          HG22      VAL  53 -17.604  13.286 -35.633
  387   HG23  VAL  53          HG23      VAL  53 -16.707  14.599 -34.873
  388    H    LEU  54           H        LEU  54 -14.663   9.017 -35.381
  389    HA   LEU  54           HA       LEU  54 -15.543   7.656 -33.032
  390    HB2  LEU  54           HB2      LEU  54 -15.135   6.662 -35.294
  391    HB3  LEU  54           HB3      LEU  54 -13.398   6.868 -35.049
  392    HG   LEU  54           HG       LEU  54 -13.472   5.268 -33.150
  393   HD11  LEU  54          HD11      LEU  54 -16.428   4.987 -33.874
  394   HD12  LEU  54          HD12      LEU  54 -15.528   3.878 -32.813
  395   HD13  LEU  54          HD13      LEU  54 -15.765   5.558 -32.326
  396   HD21  LEU  54          HD21      LEU  54 -14.747   4.209 -35.710
  397   HD22  LEU  54          HD22      LEU  54 -13.009   4.482 -35.443
  398   HD23  LEU  54          HD23      LEU  54 -13.866   3.254 -34.500
  399    H    SER  55           H        SER  55 -12.520   9.335 -33.666
  400    HA   SER  55           HA       SER  55 -10.775   8.132 -31.888
  401    HB2  SER  55           HB2      SER  55 -10.903  11.082 -32.609
  402    HB3  SER  55           HB3      SER  55  -9.489  10.201 -31.993
  403    HG   SER  55           HG       SER  55  -9.461  10.391 -34.313
  404    H    ASN  56           H        ASN  56 -11.115   7.663 -29.812
  405    HA   ASN  56           HA       ASN  56 -11.701   9.813 -27.839
  406    HB2  ASN  56           HB2      ASN  56 -13.234   7.220 -28.279
  407    HB3  ASN  56           HB3      ASN  56 -13.194   7.992 -26.697
  408   HD21  ASN  56          HD22      ASN  56 -14.427   8.361 -30.005
  409   HD22  ASN  56          HD21      ASN  56 -15.471   9.719 -29.601
  410    H    SER  57           H        SER  57  -9.193   8.595 -28.600
  411    HA   SER  57           HA       SER  57  -8.474   6.607 -26.563
  412    HB2  SER  57           HB2      SER  57  -6.736   8.054 -28.590
  413    HB3  SER  57           HB3      SER  57  -6.302   6.610 -27.661
  414    HG   SER  57           HG       SER  57  -7.032   6.078 -29.807
  415    H    ALA  58           H        ALA  58  -6.524   6.826 -25.214
  416    HA   ALA  58           HA       ALA  58  -6.246   9.454 -23.826
  417    HB1  ALA  58           HB1      ALA  58  -4.889   8.078 -22.271
  418    HB2  ALA  58           HB2      ALA  58  -6.511   7.410 -22.494
  419    HB3  ALA  58           HB3      ALA  58  -5.118   6.658 -23.306
  420    H    GLU  59           H        GLU  59  -4.068  10.351 -23.540
  421    HA   GLU  59           HA       GLU  59  -2.137   9.601 -25.707
  422    HB2  GLU  59           HB2      GLU  59  -3.506  11.705 -26.226
  423    HB3  GLU  59           HB3      GLU  59  -2.661  12.478 -24.872
  424    HG2  GLU  59           HG2      GLU  59  -0.488  12.056 -25.983
  425    HG3  GLU  59           HG3      GLU  59  -1.292  11.151 -27.267
  426    H    VAL  60           H        VAL  60   0.030   9.620 -25.141
  427    HA   VAL  60           HA       VAL  60   0.726   9.961 -22.305
  428    HB   VAL  60           HB       VAL  60   2.535   9.622 -24.710
  429   HG11  VAL  60          HG11      VAL  60   3.091   9.305 -21.717
  430   HG12  VAL  60          HG12      VAL  60   4.251   8.928 -23.023
  431   HG13  VAL  60          HG13      VAL  60   3.732  10.583 -22.739
  432   HG21  VAL  60          HG21      VAL  60   1.091   7.633 -24.444
  433   HG22  VAL  60          HG22      VAL  60   2.752   7.251 -23.984
  434   HG23  VAL  60          HG23      VAL  60   1.530   7.528 -22.726
  435    H    LYS  61           H        LYS  61   1.256  11.889 -21.387
  436    HA   LYS  61           HA       LYS  61   2.117  14.190 -23.120
  437    HB2  LYS  61           HB2      LYS  61  -0.073  14.091 -20.999
  438    HB3  LYS  61           HB3      LYS  61   0.639  15.605 -21.545
  439    HG2  LYS  61           HG2      LYS  61   0.004  15.056 -23.909
  440    HG3  LYS  61           HG3      LYS  61  -0.799  13.579 -23.334
  441    HD2  LYS  61           HD2      LYS  61  -2.321  14.898 -21.961
  442    HD3  LYS  61           HD3      LYS  61  -1.518  16.400 -22.415
  443    HE2  LYS  61           HE2      LYS  61  -3.129  14.550 -24.240
  444    HE3  LYS  61           HE3      LYS  61  -3.659  16.091 -23.567
  445    HZ1  LYS  61           HZ1      LYS  61  -1.725  17.110 -24.838
  446    HZ2  LYS  61           HZ2      LYS  61  -1.600  15.665 -25.652
  447    HZ3  LYS  61           HZ3      LYS  61  -2.959  16.547 -25.751
  448    H    ARG  62           H        ARG  62   3.332  15.813 -22.196
  449    HA   ARG  62           HA       ARG  62   4.866  15.179 -19.704
  450    HB2  ARG  62           HB2      ARG  62   6.209  15.592 -21.736
  451    HB3  ARG  62           HB3      ARG  62   5.396  17.137 -21.989
  452    HG2  ARG  62           HG2      ARG  62   6.339  17.968 -19.825
  453    HG3  ARG  62           HG3      ARG  62   7.169  16.419 -19.602
  454    HD2  ARG  62           HD2      ARG  62   8.493  16.806 -21.627
  455    HD3  ARG  62           HD3      ARG  62   7.598  18.277 -21.990
  456    HE   ARG  62           HE       ARG  62   9.763  17.932 -20.075
  457   HH11  ARG  62          HH11      ARG  62   7.113  20.116 -20.971
  458   HH12  ARG  62          HH12      ARG  62   7.799  21.439 -20.081
  459   HH21  ARG  62          HH21      ARG  62  10.563  19.684 -18.928
  460   HH22  ARG  62          HH22      ARG  62   9.722  21.199 -18.954
  461    H    GLU  63           H        GLU  63   4.370  16.376 -17.863
  462    HA   GLU  63           HA       GLU  63   2.982  18.990 -18.031
  463    HB2  GLU  63           HB2      GLU  63   1.298  17.221 -18.539
  464    HB3  GLU  63           HB3      GLU  63   1.603  16.561 -16.935
  465    HG2  GLU  63           HG2      GLU  63  -0.398  17.993 -17.107
  466    HG3  GLU  63           HG3      GLU  63   0.794  18.577 -15.920
  467    H    ARG  64           H        ARG  64   2.539  19.870 -15.875
  468    HA   ARG  64           HA       ARG  64   4.870  19.603 -14.163
  469    HB2  ARG  64           HB2      ARG  64   2.275  21.150 -13.892
  470    HB3  ARG  64           HB3      ARG  64   3.627  21.318 -12.774
  471    HG2  ARG  64           HG2      ARG  64   4.982  22.430 -14.292
  472    HG3  ARG  64           HG3      ARG  64   4.212  21.722 -15.710
  473    HD2  ARG  64           HD2      ARG  64   2.865  23.777 -13.925
  474    HD3  ARG  64           HD3      ARG  64   3.718  24.147 -15.440
  475    HE   ARG  64           HE       ARG  64   1.996  22.189 -16.252
  476   HH11  ARG  64          HH11      ARG  64   1.249  25.244 -14.587
  477   HH12  ARG  64          HH12      ARG  64  -0.378  25.226 -15.200
  478   HH21  ARG  64          HH21      ARG  64   0.082  22.197 -16.917
  479   HH22  ARG  64          HH22      ARG  64  -1.080  23.472 -16.546
  480    H    LEU  65           H        LEU  65   5.067  18.676 -12.173
  481    HA   LEU  65           HA       LEU  65   3.631  16.425 -11.315
  482    HB2  LEU  65           HB2      LEU  65   5.866  17.057 -10.631
  483    HB3  LEU  65           HB3      LEU  65   5.270  18.413  -9.700
  484    HG   LEU  65           HG       LEU  65   5.962  16.383  -8.461
  485   HD11  LEU  65          HD11      LEU  65   4.313  16.470  -6.734
  486   HD12  LEU  65          HD12      LEU  65   4.429  18.089  -7.442
  487   HD13  LEU  65          HD13      LEU  65   3.062  17.021  -7.849
  488   HD21  LEU  65          HD21      LEU  65   5.113  14.618  -9.871
  489   HD22  LEU  65          HD22      LEU  65   4.487  14.457  -8.215
  490   HD23  LEU  65          HD23      LEU  65   3.439  15.076  -9.492
  491    H    GLU  66           H        GLU  66   3.300  19.703  -9.868
  492    HA   GLU  66           HA       GLU  66   1.147  19.180  -8.162
  493    HB2  GLU  66           HB2      GLU  66   1.366  21.847  -9.589
  494    HB3  GLU  66           HB3      GLU  66   0.812  21.495  -7.954
  495    HG2  GLU  66           HG2      GLU  66   3.204  20.776  -7.438
  496    HG3  GLU  66           HG3      GLU  66   3.624  21.406  -9.051
  497    H    ASP  67           H        ASP  67   1.025  20.382 -11.524
  498    HA   ASP  67           HA       ASP  67  -1.769  20.624 -11.697
  499    HB2  ASP  67           HB2      ASP  67  -0.129  21.613 -13.288
  500    HB3  ASP  67           HB3      ASP  67   0.161  20.005 -13.963
  501    H    VAL  68           H        VAL  68   0.318  17.841 -12.492
  502    HA   VAL  68           HA       VAL  68  -1.782  16.139 -13.404
  503    HB   VAL  68           HB       VAL  68   1.050  15.558 -12.513
  504   HG11  VAL  68          HG11      VAL  68  -0.161  13.497 -12.047
  505   HG12  VAL  68          HG12      VAL  68  -0.966  13.560 -13.634
  506   HG13  VAL  68          HG13      VAL  68   0.789  13.290 -13.516
  507   HG21  VAL  68          HG21      VAL  68  -0.415  15.579 -15.199
  508   HG22  VAL  68          HG22      VAL  68   0.793  16.747 -14.640
  509   HG23  VAL  68          HG23      VAL  68   1.267  15.085 -14.988
  510    H    VAL  69           H        VAL  69  -0.204  16.374 -10.128
  511    HA   VAL  69           HA       VAL  69  -1.887  14.260  -9.124
  512    HB   VAL  69           HB       VAL  69  -0.790  14.555  -7.058
  513   HG11  VAL  69          HG11      VAL  69   1.563  14.195  -7.712
  514   HG12  VAL  69          HG12      VAL  69   0.410  13.282  -8.694
  515   HG13  VAL  69          HG13      VAL  69   1.178  14.740  -9.348
  516   HG21  VAL  69          HG21      VAL  69   0.984  16.305  -6.696
  517   HG22  VAL  69          HG22      VAL  69   0.350  17.135  -8.125
  518   HG23  VAL  69          HG23      VAL  69  -0.675  16.914  -6.703
  519    H    GLY  70           H        GLY  70  -2.697  17.435  -9.736
  520    HA2  GLY  70           HA2      GLY  70  -3.801  18.472  -7.417
  521    HA3  GLY  70           HA3      GLY  70  -4.367  18.862  -9.043
  522    H    GLY  71           H        GLY  71  -5.551  18.196  -6.211
  523    HA2  GLY  71           HA2      GLY  71  -7.647  17.540  -5.474
  524    HA3  GLY  71           HA3      GLY  71  -8.051  17.015  -7.123
  525    H    CYS  72           H        CYS  72  -5.187  15.497  -6.262
  526    HA   CYS  72           HA       CYS  72  -6.568  12.982  -5.359
  527    HB2  CYS  72           HB2      CYS  72  -4.237  13.262  -7.314
  528    HB3  CYS  72           HB3      CYS  72  -5.098  11.779  -6.883
  529    HG   CYS  72           HG       CYS  72  -6.275  14.498  -8.417
  530    H    CYS  73           H        CYS  73  -5.234  11.524  -4.123
  531    HA   CYS  73           HA       CYS  73  -2.919  12.730  -2.685
  532    HB2  CYS  73           HB2      CYS  73  -4.734  11.427  -1.480
  533    HB3  CYS  73           HB3      CYS  73  -4.213   9.982  -2.356
  534    HG   CYS  73           HG       CYS  73  -2.536  11.922  -0.231
  535    H    TYR  74           H        TYR  74  -0.799  11.605  -2.729
  536    HA   TYR  74           HA       TYR  74  -0.318   9.643  -4.826
  537    HB2  TYR  74           HB2      TYR  74   1.051  10.947  -6.267
  538    HB3  TYR  74           HB3      TYR  74  -0.473  11.792  -6.110
  539    HD1  TYR  74           HD1      TYR  74  -0.600  13.804  -4.483
  540    HD2  TYR  74           HD2      TYR  74   3.118  12.026  -5.766
  541    HE1  TYR  74           HE1      TYR  74   0.617  15.854  -3.792
  542    HE2  TYR  74           HE2      TYR  74   4.331  14.091  -5.107
  543    HH   TYR  74           HH       TYR  74   2.669  16.921  -3.649
  544    H    ARG  75           H        ARG  75   1.722   8.699  -4.835
  545    HA   ARG  75           HA       ARG  75   3.851   9.577  -3.003
  546    HB2  ARG  75           HB2      ARG  75   2.344   6.948  -2.626
  547    HB3  ARG  75           HB3      ARG  75   3.942   7.211  -1.966
  548    HG2  ARG  75           HG2      ARG  75   1.436   8.747  -1.175
  549    HG3  ARG  75           HG3      ARG  75   2.244   7.491  -0.252
  550    HD2  ARG  75           HD2      ARG  75   4.274   8.879  -0.061
  551    HD3  ARG  75           HD3      ARG  75   3.508  10.182  -0.960
  552    HE   ARG  75           HE       ARG  75   2.956   9.310   1.812
  553   HH11  ARG  75          HH21      ARG  75   1.742  11.407  -0.793
  554   HH12  ARG  75          HH22      ARG  75   1.089  12.556   0.344
  555   HH21  ARG  75          HH11      ARG  75   2.168  10.907   3.191
  556   HH22  ARG  75          HH12      ARG  75   1.326  12.276   2.531
  557    H    VAL  76           H        VAL  76   5.816   8.162  -3.246
  558    HA   VAL  76           HA       VAL  76   6.171   7.317  -6.082
  559    HB   VAL  76           HB       VAL  76   8.166   7.580  -3.805
  560   HG11  VAL  76          HG11      VAL  76   8.656   6.757  -6.705
  561   HG12  VAL  76          HG12      VAL  76   9.923   7.216  -5.552
  562   HG13  VAL  76          HG13      VAL  76   8.958   5.770  -5.261
  563   HG21  VAL  76          HG21      VAL  76   7.788   9.191  -6.371
  564   HG22  VAL  76          HG22      VAL  76   7.383   9.744  -4.731
  565   HG23  VAL  76          HG23      VAL  76   9.069   9.440  -5.168
  566    H    ASN  77           H        ASN  77   6.396   5.238  -6.705
  567    HA   ASN  77           HA       ASN  77   6.638   3.039  -4.745
  568    HB2  ASN  77           HB2      ASN  77   4.203   3.506  -4.956
  569    HB3  ASN  77           HB3      ASN  77   4.297   3.218  -6.690
  570   HD21  ASN  77          HD22      ASN  77   2.498   1.663  -5.555
  571   HD22  ASN  77          HD21      ASN  77   3.112   0.035  -5.275
  572    H    ASN  78           H        ASN  78   8.742   3.039  -5.732
  573    HA   ASN  78           HA       ASN  78   9.077   2.242  -8.531
  574    HB2  ASN  78           HB2      ASN  78  11.028   2.522  -6.203
  575    HB3  ASN  78           HB3      ASN  78  11.501   2.114  -7.853
  576   HD21  ASN  78          HD22      ASN  78  12.469   4.414  -6.435
  577   HD22  ASN  78          HD21      ASN  78  11.931   5.811  -7.356
  578    H    SER  79           H        SER  79   7.460   0.359  -8.037
  579    HA   SER  79           HA       SER  79   8.137  -1.789  -6.336
  580    HB2  SER  79           HB2      SER  79   6.362  -2.992  -7.654
  581    HB3  SER  79           HB3      SER  79   5.879  -1.398  -7.046
  582    HG   SER  79           HG       SER  79   5.285  -1.680  -9.266
  583    H    LEU  80           H        LEU  80   8.756  -1.419  -9.842
  584    HA   LEU  80           HA       LEU  80   9.691  -4.090 -10.199
  585    HB2  LEU  80           HB2      LEU  80  10.331  -1.712 -11.984
  586    HB3  LEU  80           HB3      LEU  80  10.385  -3.430 -12.385
  587    HG   LEU  80           HG       LEU  80   7.889  -1.772 -11.879
  588   HD11  LEU  80          HD11      LEU  80   8.931  -1.440 -14.071
  589   HD12  LEU  80          HD12      LEU  80   9.000  -3.200 -14.341
  590   HD13  LEU  80          HD13      LEU  80   7.438  -2.376 -14.245
  591   HD21  LEU  80          HD21      LEU  80   8.142  -4.773 -12.372
  592   HD22  LEU  80          HD22      LEU  80   7.470  -3.969 -10.930
  593   HD23  LEU  80          HD23      LEU  80   6.628  -3.844 -12.477
  594    H    ASP  81           H        ASP  81  11.333  -1.547  -8.669
  595    HA   ASP  81           HA       ASP  81  14.046  -2.138  -9.367
  596    HB2  ASP  81           HB2      ASP  81  13.002  -0.212  -7.911
  597    HB3  ASP  81           HB3      ASP  81  13.109  -1.394  -6.585
  598    H    HIS  82           H        HIS  82  11.764  -3.760  -7.345
  599    HA   HIS  82           HA       HIS  82  13.657  -5.589  -6.029
  600    HB2  HIS  82           HB2      HIS  82  11.626  -4.651  -4.990
  601    HB3  HIS  82           HB3      HIS  82  10.623  -5.391  -6.238
  602    HD1  HIS  82           HD1      HIS  82  10.236  -8.065  -6.102
  603    HD2  HIS  82           HD2      HIS  82  12.493  -6.298  -3.009
  604    HE1  HIS  82           HE1      HIS  82  10.357  -9.790  -4.223
  605    H    GLU  83           H        GLU  83  12.224  -5.406  -9.136
  606    HA   GLU  83           HA       GLU  83  12.077  -8.351  -9.543
  607    HB2  GLU  83           HB2      GLU  83  10.941  -6.063 -11.214
  608    HB3  GLU  83           HB3      GLU  83  10.717  -7.788 -11.502
  609    HG2  GLU  83           HG2      GLU  83   9.665  -6.168  -9.146
  610    HG3  GLU  83           HG3      GLU  83   8.731  -6.877 -10.458
  611    H    TYR  84           H        TYR  84  13.446  -5.380 -10.938
  612    HA   TYR  84           HA       TYR  84  15.476  -7.013 -12.423
  613    HB2  TYR  84           HB2      TYR  84  14.330  -4.380 -13.389
  614    HB3  TYR  84           HB3      TYR  84  15.314  -5.522 -14.288
  615    HD1  TYR  84           HD1      TYR  84  14.276  -7.872 -14.810
  616    HD2  TYR  84           HD2      TYR  84  11.998  -4.505 -13.392
  617    HE1  TYR  84           HE1      TYR  84  12.173  -9.004 -15.507
  618    HE2  TYR  84           HE2      TYR  84   9.891  -5.636 -14.048
  619    HH   TYR  84           HH       TYR  84   8.934  -7.526 -15.001
  620    H    GLN  85           H        GLN  85  17.467  -5.859 -12.992
  621    HA   GLN  85           HA       GLN  85  18.693  -4.585 -10.732
  622    HB2  GLN  85           HB2      GLN  85  19.569  -5.062 -13.609
  623    HB3  GLN  85           HB3      GLN  85  20.633  -4.337 -12.418
  624    HG2  GLN  85           HG2      GLN  85  19.323  -7.074 -12.148
  625    HG3  GLN  85           HG3      GLN  85  20.980  -6.797 -12.673
  626   HE21  GLN  85          HE22      GLN  85  19.820  -8.270 -10.229
  627   HE22  GLN  85          HE21      GLN  85  20.661  -7.521  -8.881
  628    HA   PRO  86           HA       PRO  86  17.919  -0.263 -11.516
  629    HB2  PRO  86           HB2      PRO  86  20.324   1.020 -11.099
  630    HB3  PRO  86           HB3      PRO  86  19.263   0.388  -9.804
  631    HG2  PRO  86           HG2      PRO  86  21.677  -0.952 -11.056
  632    HG3  PRO  86           HG3      PRO  86  21.278  -0.781  -9.315
  633    HD2  PRO  86           HD2      PRO  86  20.745  -3.060 -10.646
  634    HD3  PRO  86           HD3      PRO  86  19.576  -2.428  -9.452
  635    H    ARG  87           H        ARG  87  17.525   0.679 -13.390
  636    HA   ARG  87           HA       ARG  87  19.245   0.147 -15.763
  637    HB2  ARG  87           HB2      ARG  87  16.441   1.314 -15.545
  638    HB3  ARG  87           HB3      ARG  87  17.252   0.918 -17.046
  639    HG2  ARG  87           HG2      ARG  87  16.267  -1.029 -14.916
  640    HG3  ARG  87           HG3      ARG  87  15.536  -0.682 -16.471
  641    HD2  ARG  87           HD2      ARG  87  16.623  -2.770 -16.716
  642    HD3  ARG  87           HD3      ARG  87  17.612  -1.583 -17.590
  643    HE   ARG  87           HE       ARG  87  18.364  -2.139 -14.784
  644   HH11  ARG  87          HH11      ARG  87  18.873  -3.443 -18.026
  645   HH12  ARG  87          HH12      ARG  87  20.540  -3.818 -17.726
  646   HH21  ARG  87          HH21      ARG  87  20.644  -2.356 -14.584
  647   HH22  ARG  87          HH22      ARG  87  21.484  -3.341 -15.745
  648    HA   PRO  88           HA       PRO  88  20.860   4.267 -15.765
  649    HB2  PRO  88           HB2      PRO  88  21.219   4.874 -18.419
  650    HB3  PRO  88           HB3      PRO  88  22.201   3.683 -17.517
  651    HG2  PRO  88           HG2      PRO  88  19.819   3.149 -19.297
  652    HG3  PRO  88           HG3      PRO  88  21.401   2.318 -19.288
  653    HD2  PRO  88           HD2      PRO  88  19.211   1.309 -18.054
  654    HD3  PRO  88           HD3      PRO  88  20.835   1.118 -17.334
  655    H    VAL  89           H        VAL  89  19.579   5.839 -14.996
  656    HA   VAL  89           HA       VAL  89  16.939   6.223 -15.629
  657    HB   VAL  89           HB       VAL  89  18.033   7.001 -13.581
  658   HG11  VAL  89          HG11      VAL  89  18.924   9.471 -15.133
  659   HG12  VAL  89          HG12      VAL  89  19.102   9.182 -13.397
  660   HG13  VAL  89          HG13      VAL  89  20.004   8.187 -14.546
  661   HG21  VAL  89          HG21      VAL  89  15.745   7.735 -14.188
  662   HG22  VAL  89          HG22      VAL  89  16.612   8.905 -13.166
  663   HG23  VAL  89          HG23      VAL  89  16.416   9.219 -14.892
  664    H    GLU  90           H        GLU  90  19.606   7.925 -17.238
  665    HA   GLU  90           HA       GLU  90  18.060   9.832 -18.633
  666    HB2  GLU  90           HB2      GLU  90  19.909   9.997 -20.180
  667    HB3  GLU  90           HB3      GLU  90  20.490   9.908 -18.521
  668    HG2  GLU  90           HG2      GLU  90  21.042   7.474 -18.903
  669    HG3  GLU  90           HG3      GLU  90  20.566   7.675 -20.593
  670    H    VAL  91           H        VAL  91  18.621   6.407 -19.379
  671    HA   VAL  91           HA       VAL  91  17.349   6.488 -21.973
  672    HB   VAL  91           HB       VAL  91  17.871   4.101 -20.177
  673   HG11  VAL  91          HG11      VAL  91  17.708   2.768 -22.259
  674   HG12  VAL  91          HG12      VAL  91  16.169   3.490 -21.803
  675   HG13  VAL  91          HG13      VAL  91  17.124   4.206 -23.128
  676   HG21  VAL  91          HG21      VAL  91  19.973   5.225 -20.820
  677   HG22  VAL  91          HG22      VAL  91  19.816   3.704 -21.694
  678   HG23  VAL  91          HG23      VAL  91  19.465   5.239 -22.522
  679    H    ILE  92           H        ILE  92  16.197   5.780 -18.645
  680    HA   ILE  92           HA       ILE  92  13.508   4.999 -19.393
  681    HB   ILE  92           HB       ILE  92  14.397   6.369 -16.816
  682   HG12  ILE  92          HG12      ILE  92  14.431   3.384 -17.481
  683   HG13  ILE  92          HG13      ILE  92  15.853   4.406 -17.270
  684   HG21  ILE  92          HG21      ILE  92  12.122   4.399 -17.303
  685   HG22  ILE  92          HG22      ILE  92  12.462   5.300 -15.812
  686   HG23  ILE  92          HG23      ILE  92  11.905   6.163 -17.241
  687   HD11  ILE  92          HD11      ILE  92  15.625   3.276 -15.239
  688   HD12  ILE  92          HD12      ILE  92  15.054   4.916 -14.921
  689   HD13  ILE  92          HD13      ILE  92  13.883   3.580 -15.133
  690    H    ILE  93           H        ILE  93  14.851   8.204 -18.451
  691    HA   ILE  93           HA       ILE  93  12.423   9.629 -19.001
  692    HB   ILE  93           HB       ILE  93  15.321  10.486 -18.675
  693   HG12  ILE  93          HG12      ILE  93  12.848  10.912 -16.915
  694   HG13  ILE  93          HG13      ILE  93  13.937   9.544 -16.708
  695   HG21  ILE  93          HG21      ILE  93  14.270  12.193 -20.103
  696   HG22  ILE  93          HG22      ILE  93  12.870  12.292 -19.014
  697   HG23  ILE  93          HG23      ILE  93  14.479  12.842 -18.491
  698   HD11  ILE  93          HD11      ILE  93  14.450  11.222 -15.060
  699   HD12  ILE  93          HD12      ILE  93  15.804  11.100 -16.211
  700   HD13  ILE  93          HD13      ILE  93  14.669  12.469 -16.299
  701    H    SER  94           H        SER  94  15.261   8.974 -21.109
  702    HA   SER  94           HA       SER  94  14.253  10.369 -23.366
  703    HB2  SER  94           HB2      SER  94  16.557   9.459 -23.134
  704    HB3  SER  94           HB3      SER  94  15.912   7.818 -23.337
  705    HG   SER  94           HG       SER  94  16.729   8.763 -25.325
  706    H    SER  95           H        SER  95  13.627   7.026 -22.299
  707    HA   SER  95           HA       SER  95  11.877   6.276 -24.426
  708    HB2  SER  95           HB2      SER  95  12.930   4.744 -22.733
  709    HB3  SER  95           HB3      SER  95  11.756   5.332 -21.539
  710    HG   SER  95           HG       SER  95  11.208   3.332 -22.823
  711    H    ALA  96           H        ALA  96  11.168   7.831 -21.240
  712    HA   ALA  96           HA       ALA  96   8.370   8.076 -21.534
  713    HB1  ALA  96           HB1      ALA  96   8.574   9.683 -19.749
  714    HB2  ALA  96           HB2      ALA  96   9.809   8.450 -19.476
  715    HB3  ALA  96           HB3      ALA  96  10.272  10.022 -20.155
  716    H    LYS  97           H        LYS  97  10.968  10.385 -22.505
  717    HA   LYS  97           HA       LYS  97   9.262  12.328 -23.715
  718    HB2  LYS  97           HB2      LYS  97  12.196  11.608 -24.045
  719    HB3  LYS  97           HB3      LYS  97  11.457  12.975 -24.879
  720    HG2  LYS  97           HG2      LYS  97  10.902  14.081 -22.808
  721    HG3  LYS  97           HG3      LYS  97  11.390  12.674 -21.837
  722    HD2  LYS  97           HD2      LYS  97  13.695  12.887 -22.538
  723    HD3  LYS  97           HD3      LYS  97  13.283  14.185 -23.686
  724    HE2  LYS  97           HE2      LYS  97  12.505  15.606 -21.775
  725    HE3  LYS  97           HE3      LYS  97  13.015  14.346 -20.643
  726    HZ1  LYS  97           HZ1      LYS  97  14.818  15.820 -22.516
  727    HZ2  LYS  97           HZ2      LYS  97  14.730  16.062 -20.905
  728    HZ3  LYS  97           HZ3      LYS  97  15.315  14.650 -21.482
  729    H    GLU  98           H        GLU  98  10.845   9.478 -25.166
  730    HA   GLU  98           HA       GLU  98   9.896   9.986 -27.816
  731    HB2  GLU  98           HB2      GLU  98  10.850   7.472 -26.428
  732    HB3  GLU  98           HB3      GLU  98  10.293   7.461 -28.095
  733    HG2  GLU  98           HG2      GLU  98  12.557   9.238 -27.089
  734    HG3  GLU  98           HG3      GLU  98  12.785   7.659 -27.838
  735    H    MET  99           H        MET  99   8.431   8.249 -25.072
  736    HA   MET  99           HA       MET  99   6.152   7.346 -26.549
  737    HB2  MET  99           HB2      MET  99   6.675   7.599 -23.579
  738    HB3  MET  99           HB3      MET  99   5.210   6.896 -24.282
  739    HG2  MET  99           HG2      MET  99   7.996   5.916 -25.014
  740    HG3  MET  99           HG3      MET  99   7.113   5.257 -23.665
  741    HE1  MET  99           HE1      MET  99   5.513   3.486 -23.706
  742    HE2  MET  99           HE2      MET  99   4.279   4.626 -24.303
  743    HE3  MET  99           HE3      MET  99   4.473   3.036 -25.077
  744    H    VAL 100           H        VAL 100   6.651  10.259 -24.520
  745    HA   VAL 100           HA       VAL 100   4.136  11.430 -24.656
  746    HB   VAL 100           HB       VAL 100   6.834  12.766 -24.966
  747   HG11  VAL 100          HG11      VAL 100   4.122  14.138 -24.680
  748   HG12  VAL 100          HG12      VAL 100   5.696  14.926 -24.425
  749   HG13  VAL 100          HG13      VAL 100   5.267  14.330 -26.030
  750   HG21  VAL 100          HG21      VAL 100   6.443  13.448 -22.671
  751   HG22  VAL 100          HG22      VAL 100   4.802  12.773 -22.696
  752   HG23  VAL 100          HG23      VAL 100   6.204  11.700 -22.782
  753    H    GLY 101           H        GLY 101   2.764  12.118 -26.034
  754    HA2  GLY 101           HA2      GLY 101   1.941  13.132 -28.004
  755    HA3  GLY 101           HA3      GLY 101   3.447  12.731 -28.870
  756    H    GLN 102           H        GLN 102   2.969   9.848 -27.476
  757    HA   GLN 102           HA       GLN 102   1.469   8.800 -29.721
  758    HB2  GLN 102           HB2      GLN 102   2.831   7.347 -27.420
  759    HB3  GLN 102           HB3      GLN 102   2.098   6.602 -28.842
  760    HG2  GLN 102           HG2      GLN 102   3.704   7.884 -30.311
  761    HG3  GLN 102           HG3      GLN 102   4.486   8.505 -28.864
  762   HE21  GLN 102          HE22      GLN 102   6.526   7.460 -28.834
  763   HE22  GLN 102          HE21      GLN 102   6.678   5.716 -28.997
  764    H    LYS 103           H        LYS 103  -0.394   7.593 -29.591
  765    HA   LYS 103           HA       LYS 103  -2.190   8.182 -27.294
  766    HB2  LYS 103           HB2      LYS 103  -2.698   7.603 -30.222
  767    HB3  LYS 103           HB3      LYS 103  -3.969   7.516 -28.996
  768    HG2  LYS 103           HG2      LYS 103  -3.547   9.842 -28.315
  769    HG3  LYS 103           HG3      LYS 103  -2.257   9.986 -29.525
  770    HD2  LYS 103           HD2      LYS 103  -3.840   9.678 -31.354
  771    HD3  LYS 103           HD3      LYS 103  -5.124   9.231 -30.226
  772    HE2  LYS 103           HE2      LYS 103  -5.589  11.455 -30.870
  773    HE3  LYS 103           HE3      LYS 103  -5.017  11.504 -29.195
  774    HZ1  LYS 103           HZ1      LYS 103  -2.958  12.435 -29.901
  775    HZ2  LYS 103           HZ2      LYS 103  -3.215  12.071 -31.500
  776    HZ3  LYS 103           HZ3      LYS 103  -4.082  13.235 -30.753
  777    H    MET 104           H        MET 104  -3.592   6.598 -26.456
  778    HA   MET 104           HA       MET 104  -3.050   3.713 -26.935
  779    HB2  MET 104           HB2      MET 104  -2.536   5.129 -24.274
  780    HB3  MET 104           HB3      MET 104  -2.615   3.387 -24.486
  781    HG2  MET 104           HG2      MET 104  -0.697   3.511 -26.069
  782    HG3  MET 104           HG3      MET 104  -0.507   5.219 -25.647
  783    HE1  MET 104           HE1      MET 104   1.474   2.607 -25.424
  784    HE2  MET 104           HE2      MET 104   2.044   4.277 -25.177
  785    HE3  MET 104           HE3      MET 104   2.379   3.016 -23.957
  786    H    LYS 105           H        LYS 105  -4.385   2.316 -25.511
  787    HA   LYS 105           HA       LYS 105  -7.145   3.255 -25.184
  788    HB2  LYS 105           HB2      LYS 105  -5.742   0.647 -24.418
  789    HB3  LYS 105           HB3      LYS 105  -7.481   0.928 -24.299
  790    HG2  LYS 105           HG2      LYS 105  -7.596   1.329 -26.751
  791    HG3  LYS 105           HG3      LYS 105  -5.860   0.984 -26.883
  792    HD2  LYS 105           HD2      LYS 105  -6.281  -1.275 -25.868
  793    HD3  LYS 105           HD3      LYS 105  -8.017  -0.958 -25.926
  794    HE2  LYS 105           HE2      LYS 105  -6.125  -0.985 -28.342
  795    HE3  LYS 105           HE3      LYS 105  -7.111  -2.354 -27.826
  796    HZ1  LYS 105           HZ1      LYS 105  -8.193   0.255 -28.766
  797    HZ2  LYS 105           HZ2      LYS 105  -8.203  -1.148 -29.595
  798    HZ3  LYS 105           HZ3      LYS 105  -9.108  -1.005 -28.244
  799    H    TYR 106           H        TYR 106  -8.284   2.834 -23.080
  800    HA   TYR 106           HA       TYR 106  -6.831   3.205 -20.567
  801    HB2  TYR 106           HB2      TYR 106  -6.700   5.454 -21.333
  802    HB3  TYR 106           HB3      TYR 106  -8.348   5.450 -21.945
  803    HD1  TYR 106           HD1      TYR 106  -6.322   5.362 -18.787
  804    HD2  TYR 106           HD2      TYR 106 -10.164   6.159 -20.589
  805    HE1  TYR 106           HE1      TYR 106  -7.196   6.125 -16.593
  806    HE2  TYR 106           HE2      TYR 106 -11.048   6.899 -18.391
  807    HH   TYR 106           HH       TYR 106 -10.617   7.158 -16.146
  808    H    SER 107           H        SER 107  -8.479   3.477 -18.715
  809    HA   SER 107           HA       SER 107  -9.955   1.268 -18.384
  810    HB2  SER 107           HB2      SER 107 -10.533   3.930 -17.071
  811    HB3  SER 107           HB3      SER 107 -10.716   2.297 -16.376
  812    HG   SER 107           HG       SER 107  -8.691   3.207 -15.766
  813    H    ILE 108           H        ILE 108 -11.231   4.055 -20.076
  814    HA   ILE 108           HA       ILE 108 -14.017   3.459 -20.065
  815    HB   ILE 108           HB       ILE 108 -12.895   5.500 -21.001
  816   HG12  ILE 108          HG12      ILE 108 -14.798   4.196 -22.977
  817   HG13  ILE 108          HG13      ILE 108 -15.285   4.909 -21.434
  818   HG21  ILE 108          HG21      ILE 108 -11.980   5.536 -23.254
  819   HG22  ILE 108          HG22      ILE 108 -11.105   4.320 -22.337
  820   HG23  ILE 108          HG23      ILE 108 -12.352   3.820 -23.493
  821   HD11  ILE 108          HD11      ILE 108 -14.342   7.112 -22.193
  822   HD12  ILE 108          HD12      ILE 108 -14.045   6.381 -23.792
  823   HD13  ILE 108          HD13      ILE 108 -15.695   6.515 -23.177
  824    H    VAL 109           H        VAL 109 -11.422   1.751 -21.536
  825    HA   VAL 109           HA       VAL 109 -13.286  -0.423 -22.307
  826    HB   VAL 109           HB       VAL 109 -12.649   0.641 -24.393
  827   HG11  VAL 109          HG11      VAL 109 -10.399   0.632 -25.298
  828   HG12  VAL 109          HG12      VAL 109 -10.431   1.578 -23.807
  829   HG13  VAL 109          HG13      VAL 109  -9.743  -0.067 -23.810
  830   HG21  VAL 109          HG21      VAL 109 -11.292  -2.074 -24.125
  831   HG22  VAL 109          HG22      VAL 109 -13.041  -1.809 -24.322
  832   HG23  VAL 109          HG23      VAL 109 -11.921  -1.334 -25.609
  833    H    SER 110           H        SER 110  -9.801   0.335 -21.495
  834    HA   SER 110           HA       SER 110  -9.699  -2.094 -19.790
  835    HB2  SER 110           HB2      SER 110  -7.841  -1.606 -22.159
  836    HB3  SER 110           HB3      SER 110  -7.555  -2.793 -20.870
  837    HG   SER 110           HG       SER 110  -8.528  -3.776 -22.704
  838    H    ARG 111           H        ARG 111  -8.563  -1.597 -17.919
  839    HA   ARG 111           HA       ARG 111  -7.377   0.947 -17.424
  840    HB2  ARG 111           HB2      ARG 111  -7.178  -1.740 -16.011
  841    HB3  ARG 111           HB3      ARG 111  -6.347  -0.302 -15.414
  842    HG2  ARG 111           HG2      ARG 111  -8.438   0.919 -15.202
  843    HG3  ARG 111           HG3      ARG 111  -9.355  -0.423 -15.903
  844    HD2  ARG 111           HD2      ARG 111  -8.839  -1.835 -13.990
  845    HD3  ARG 111           HD3      ARG 111  -7.726  -0.615 -13.338
  846    HE   ARG 111           HE       ARG 111 -10.361   0.485 -13.726
  847   HH11  ARG 111          HH21      ARG 111  -8.604  -1.597 -11.459
  848   HH12  ARG 111          HH22      ARG 111  -9.591  -1.123 -10.115
  849   HH21  ARG 111          HH11      ARG 111 -11.596   1.067 -11.926
  850   HH22  ARG 111          HH12      ARG 111 -11.274   0.348 -10.383
  851    H    ASN 112           H        ASN 112  -5.407   1.784 -17.731
  852    HA   ASN 112           HA       ASN 112  -3.186   0.035 -18.743
  853    HB2  ASN 112           HB2      ASN 112  -4.743   0.814 -20.557
  854    HB3  ASN 112           HB3      ASN 112  -4.326   2.473 -20.157
  855   HD21  ASN 112          HD22      ASN 112  -3.361   2.976 -22.155
  856   HD22  ASN 112          HD21      ASN 112  -1.826   2.256 -22.644
  857    H    CYS 113           H        CYS 113  -3.795   2.827 -16.727
  858    HA   CYS 113           HA       CYS 113  -1.566   4.426 -17.524
  859    HB2  CYS 113           HB2      CYS 113  -3.149   4.275 -14.905
  860    HB3  CYS 113           HB3      CYS 113  -1.945   5.541 -15.290
  861    HG   CYS 113           HG       CYS 113  -4.366   6.528 -15.705
  862    H    GLU 114           H        GLU 114  -1.634   1.912 -14.950
  863    HA   GLU 114           HA       GLU 114   1.127   2.250 -14.188
  864    HB2  GLU 114           HB2      GLU 114  -0.573   1.023 -12.843
  865    HB3  GLU 114           HB3      GLU 114  -0.590  -0.260 -14.052
  866    HG2  GLU 114           HG2      GLU 114   1.843  -0.656 -13.613
  867    HG3  GLU 114           HG3      GLU 114   1.822   0.638 -12.412
  868    H    HIS 115           H        HIS 115  -0.435   0.012 -16.558
  869    HA   HIS 115           HA       HIS 115   1.923  -1.292 -17.433
  870    HB2  HIS 115           HB2      HIS 115  -0.431  -2.012 -17.851
  871    HB3  HIS 115           HB3      HIS 115  -0.602  -0.702 -19.022
  872    HD1  HIS 115           HD1      HIS 115   1.851  -3.727 -18.553
  873    HD2  HIS 115           HD2      HIS 115  -0.213  -1.497 -21.465
  874    HE1  HIS 115           HE1      HIS 115   2.367  -4.819 -20.789
  875    H    PHE 116           H        PHE 116   0.585   1.867 -18.490
  876    HA   PHE 116           HA       PHE 116   2.497   2.297 -20.565
  877    HB2  PHE 116           HB2      PHE 116   0.650   3.769 -20.541
  878    HB3  PHE 116           HB3      PHE 116   0.848   4.163 -18.841
  879    HD1  PHE 116           HD1      PHE 116   2.970   4.234 -21.958
  880    HD2  PHE 116           HD2      PHE 116   1.785   6.277 -18.356
  881    HE1  PHE 116           HE1      PHE 116   4.688   5.964 -22.365
  882    HE2  PHE 116           HE2      PHE 116   3.503   8.023 -18.792
  883    HZ   PHE 116           HZ       PHE 116   4.962   7.860 -20.789
  884    H    VAL 117           H        VAL 117   2.639   3.471 -17.121
  885    HA   VAL 117           HA       VAL 117   5.274   4.553 -17.620
  886    HB   VAL 117           HB       VAL 117   5.506   4.955 -15.227
  887   HG11  VAL 117          HG11      VAL 117   2.794   5.816 -16.278
  888   HG12  VAL 117          HG12      VAL 117   3.735   6.587 -14.990
  889   HG13  VAL 117          HG13      VAL 117   4.359   6.598 -16.641
  890   HG21  VAL 117          HG21      VAL 117   4.255   2.913 -14.392
  891   HG22  VAL 117          HG22      VAL 117   3.848   4.424 -13.610
  892   HG23  VAL 117          HG23      VAL 117   2.745   3.736 -14.832
  893    H    THR 118           H        THR 118   4.326   1.380 -16.401
  894    HA   THR 118           HA       THR 118   6.908   0.610 -15.348
  895    HB   THR 118           HB       THR 118   5.994  -1.752 -15.743
  896    HG1  THR 118           HG1      THR 118   3.555  -0.414 -16.149
  897   HG21  THR 118          HG21      THR 118   4.337  -1.555 -13.917
  898   HG22  THR 118          HG22      THR 118   5.791  -0.607 -13.557
  899   HG23  THR 118          HG23      THR 118   4.314   0.213 -14.107
  900    H    GLN 119           H        GLN 119   5.494   0.246 -18.603
  901    HA   GLN 119           HA       GLN 119   7.628  -1.202 -19.777
  902    HB2  GLN 119           HB2      GLN 119   5.600   0.762 -20.895
  903    HB3  GLN 119           HB3      GLN 119   6.820   0.003 -21.922
  904    HG2  GLN 119           HG2      GLN 119   6.035  -2.233 -21.350
  905    HG3  GLN 119           HG3      GLN 119   4.844  -1.576 -20.224
  906   HE21  GLN 119          HE22      GLN 119   3.059  -0.300 -21.124
  907   HE22  GLN 119          HE21      GLN 119   2.567  -0.560 -22.806
  908    H    LEU 120           H        LEU 120   7.569   2.189 -18.838
  909    HA   LEU 120           HA       LEU 120   9.707   3.073 -20.561
  910    HB2  LEU 120           HB2      LEU 120   8.886   4.176 -17.837
  911    HB3  LEU 120           HB3      LEU 120   9.833   5.011 -19.064
  912    HG   LEU 120           HG       LEU 120   6.913   4.151 -19.370
  913   HD11  LEU 120          HD11      LEU 120   8.133   6.903 -18.978
  914   HD12  LEU 120          HD12      LEU 120   6.411   6.522 -19.189
  915   HD13  LEU 120          HD13      LEU 120   7.256   5.957 -17.743
  916   HD21  LEU 120          HD21      LEU 120   7.917   4.158 -21.569
  917   HD22  LEU 120          HD22      LEU 120   7.003   5.659 -21.396
  918   HD23  LEU 120          HD23      LEU 120   8.775   5.678 -21.239
  919    H    ARG 121           H        ARG 121   9.786   1.521 -17.348
  920    HA   ARG 121           HA       ARG 121  12.770   1.554 -17.331
  921    HB2  ARG 121           HB2      ARG 121  11.590   1.951 -15.224
  922    HB3  ARG 121           HB3      ARG 121  10.780   0.378 -15.343
  923    HG2  ARG 121           HG2      ARG 121  12.936  -0.789 -15.201
  924    HG3  ARG 121           HG3      ARG 121  13.820   0.746 -15.267
  925    HD2  ARG 121           HD2      ARG 121  12.980   1.385 -13.093
  926    HD3  ARG 121           HD3      ARG 121  11.928  -0.043 -13.017
  927    HE   ARG 121           HE       ARG 121  14.316  -1.235 -13.380
  928   HH11  ARG 121          HH11      ARG 121  13.407   1.218 -10.939
  929   HH12  ARG 121          HH12      ARG 121  14.604   0.573  -9.827
  930   HH21  ARG 121          HH21      ARG 121  15.858  -1.865 -11.833
  931   HH22  ARG 121          HH22      ARG 121  15.830  -1.059 -10.266
  932    H    TYR 122           H        TYR 122  10.078  -0.840 -17.688
  933    HA   TYR 122           HA       TYR 122  11.808  -3.115 -17.828
  934    HB2  TYR 122           HB2      TYR 122   9.446  -3.216 -17.228
  935    HB3  TYR 122           HB3      TYR 122   8.976  -2.671 -18.830
  936    HD1  TYR 122           HD2      TYR 122  10.896  -5.427 -17.132
  937    HD2  TYR 122           HD1      TYR 122   8.410  -4.272 -20.465
  938    HE1  TYR 122           HE2      TYR 122  10.828  -7.793 -17.896
  939    HE2  TYR 122           HE1      TYR 122   8.340  -6.631 -21.234
  940    HH   TYR 122           HH       TYR 122  10.035  -9.277 -19.475
  941    H    GLY 123           H        GLY 123  10.708  -0.936 -20.418
  942    HA2  GLY 123           HA2      GLY 123  11.610  -2.616 -22.618
  943    HA3  GLY 123           HA3      GLY 123  11.100  -0.909 -22.690
  944    H    LYS 124           H        LYS 124  13.002   0.147 -20.872
  945    HA   LYS 124           HA       LYS 124  14.972   1.299 -21.118
  946    HB2  LYS 124           HB2      LYS 124  16.824  -0.122 -20.218
  947    HB3  LYS 124           HB3      LYS 124  15.325  -0.142 -19.355
  948    HG2  LYS 124           HG2      LYS 124  16.180  -2.362 -19.338
  949    HG3  LYS 124           HG3      LYS 124  14.730  -2.355 -20.313
  950    HD2  LYS 124           HD2      LYS 124  16.201  -2.313 -22.374
  951    HD3  LYS 124           HD3      LYS 124  17.617  -2.447 -21.311
  952    HE2  LYS 124           HE2      LYS 124  16.739  -4.618 -20.458
  953    HE3  LYS 124           HE3      LYS 124  15.286  -4.426 -21.450
  954    HZ1  LYS 124           HZ1      LYS 124  16.887  -5.860 -22.560
  955    HZ2  LYS 124           HZ2      LYS 124  16.721  -4.487 -23.435
  956    HZ3  LYS 124           HZ3      LYS 124  18.054  -4.715 -22.519
  957    H    SER 125           H        SER 125  17.574  -0.085 -21.942
  958    HA   SER 125           HA       SER 125  17.981   1.240 -24.383
  959    HB2  SER 125           HB2      SER 125  19.578  -1.100 -23.285
  960    HB3  SER 125           HB3      SER 125  20.132   0.150 -24.409
  961    HG   SER 125           HG       SER 125  20.770   0.636 -22.244
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   3.534  26.685   4.885
    2    H2   MET   1           H2       MET   1   3.377  26.464   3.274
    3    H3   MET   1           H3       MET   1   2.053  26.730   4.195
    4    HA   MET   1           HA       MET   1   2.346  24.647   5.361
    5    HB2  MET   1           HB2      MET   1   0.939  24.738   3.288
    6    HB3  MET   1           HB3      MET   1   2.334  24.229   2.333
    7    HG2  MET   1           HG2      MET   1   2.414  22.096   3.573
    8    HG3  MET   1           HG3      MET   1   1.070  22.626   4.596
    9    HE1  MET   1           HE1      MET   1   1.211  19.843   3.040
   10    HE2  MET   1           HE2      MET   1  -0.154  20.328   4.075
   11    HE3  MET   1           HE3      MET   1  -0.454  19.720   2.433
   12    H    ALA   2           H        ALA   2   3.646  22.890   5.937
   13    HA   ALA   2           HA       ALA   2   6.489  23.067   5.376
   14    HB1  ALA   2           HB1      ALA   2   4.845  20.959   6.849
   15    HB2  ALA   2           HB2      ALA   2   6.606  21.141   6.913
   16    HB3  ALA   2           HB3      ALA   2   5.568  22.415   7.578
   17    H    SER   3           H        SER   3   7.825  21.268   4.599
   18    HA   SER   3           HA       SER   3   6.846  20.150   2.097
   19    HB2  SER   3           HB2      SER   3   9.187  19.233   1.966
   20    HB3  SER   3           HB3      SER   3   9.066  20.990   2.111
   21    HG   SER   3           HG       SER   3  10.681  20.104   3.518
   22    HA   PRO   4           HA       PRO   4   5.766  16.107   3.638
   23    HB2  PRO   4           HB2      PRO   4   5.941  14.548   1.416
   24    HB3  PRO   4           HB3      PRO   4   4.727  15.854   1.573
   25    HG2  PRO   4           HG2      PRO   4   7.430  15.990   0.190
   26    HG3  PRO   4           HG3      PRO   4   5.836  16.476  -0.465
   27    HD2  PRO   4           HD2      PRO   4   7.542  18.275   0.660
   28    HD3  PRO   4           HD3      PRO   4   5.769  18.412   0.883
   29    H    HIS   5           H        HIS   5   6.603  13.981   4.144
   30    HA   HIS   5           HA       HIS   5   9.448  13.982   4.681
   31    HB2  HIS   5           HB2      HIS   5   7.613  13.115   6.167
   32    HB3  HIS   5           HB3      HIS   5   7.405  11.757   5.054
   33    HD1  HIS   5           HD1      HIS   5   9.021   9.708   5.537
   34    HD2  HIS   5           HD2      HIS   5  10.129  13.320   7.389
   35    HE1  HIS   5           HE1      HIS   5  10.959   9.150   7.092
   36    H    GLN   6           H        GLN   6   7.680  12.888   1.958
   37    HA   GLN   6           HA       GLN   6  10.068  11.462   0.866
   38    HB2  GLN   6           HB2      GLN   6   8.257   9.827   1.482
   39    HB3  GLN   6           HB3      GLN   6   7.130  10.712   0.451
   40    HG2  GLN   6           HG2      GLN   6   8.646  10.211  -1.526
   41    HG3  GLN   6           HG3      GLN   6   9.637   9.219  -0.453
   42   HE21  GLN   6          HE22      GLN   6   8.589   7.175   0.432
   43   HE22  GLN   6          HE21      GLN   6   7.233   6.518  -0.470
   44    H    GLU   7           H        GLU   7  10.632  12.162  -1.206
   45    HA   GLU   7           HA       GLU   7   8.675  13.598  -2.838
   46    HB2  GLU   7           HB2      GLU   7   9.983  15.552  -3.210
   47    HB3  GLU   7           HB3      GLU   7   9.788  15.360  -1.472
   48    HG2  GLU   7           HG2      GLU   7  12.103  14.317  -1.411
   49    HG3  GLU   7           HG3      GLU   7  12.269  14.723  -3.125
   50    HA   PRO   8           HA       PRO   8  10.702  11.157  -5.845
   51    HB2  PRO   8           HB2      PRO   8   9.765  12.125  -8.186
   52    HB3  PRO   8           HB3      PRO   8   8.677  11.455  -6.932
   53    HG2  PRO   8           HG2      PRO   8   9.345  14.366  -7.432
   54    HG3  PRO   8           HG3      PRO   8   7.732  13.610  -7.251
   55    HD2  PRO   8           HD2      PRO   8   9.057  14.818  -5.163
   56    HD3  PRO   8           HD3      PRO   8   7.972  13.407  -4.933
   57    H    LYS   9           H        LYS   9  12.265  10.918  -7.367
   58    HA   LYS   9           HA       LYS   9  13.824  13.273  -8.290
   59    HB2  LYS   9           HB2      LYS   9  14.769  10.595  -7.174
   60    HB3  LYS   9           HB3      LYS   9  15.842  11.609  -8.123
   61    HG2  LYS   9           HG2      LYS   9  14.496  12.471  -5.533
   62    HG3  LYS   9           HG3      LYS   9  16.146  11.867  -5.693
   63    HD2  LYS   9           HD2      LYS   9  16.679  13.794  -7.242
   64    HD3  LYS   9           HD3      LYS   9  15.052  14.410  -6.999
   65    HE2  LYS   9           HE2      LYS   9  16.432  15.675  -5.554
   66    HE3  LYS   9           HE3      LYS   9  15.482  14.597  -4.533
   67    HZ1  LYS   9           HZ1      LYS   9  17.834  14.674  -3.876
   68    HZ2  LYS   9           HZ2      LYS   9  17.461  13.158  -4.345
   69    HZ3  LYS   9           HZ3      LYS   9  18.320  14.140  -5.337
   70    HA   PRO  10           HA       PRO  10  13.557  12.156 -12.465
   71    HB2  PRO  10           HB2      PRO  10  16.552  11.686 -12.420
   72    HB3  PRO  10           HB3      PRO  10  15.573  12.513 -13.671
   73    HG2  PRO  10           HG2      PRO  10  16.865  13.992 -11.859
   74    HG3  PRO  10           HG3      PRO  10  15.145  14.363 -12.221
   75    HD2  PRO  10           HD2      PRO  10  16.302  12.818  -9.900
   76    HD3  PRO  10           HD3      PRO  10  15.010  14.059  -9.897
   77    H    GLY  11           H        GLY  11  12.735  10.362 -13.366
   78    HA2  GLY  11           HA2      GLY  11  12.813   8.207 -14.317
   79    HA3  GLY  11           HA3      GLY  11  14.114   7.731 -13.193
   80    H    ASP  12           H        ASP  12  11.992   9.147 -11.141
   81    HA   ASP  12           HA       ASP  12  11.118   6.644 -10.107
   82    HB2  ASP  12           HB2      ASP  12  10.484   9.514  -9.369
   83    HB3  ASP  12           HB3      ASP  12   9.749   8.153  -8.541
   84    H    LEU  13           H        LEU  13   9.238   5.647  -9.907
   85    HA   LEU  13           HA       LEU  13   6.978   6.319 -11.705
   86    HB2  LEU  13           HB2      LEU  13   7.552   3.992  -9.803
   87    HB3  LEU  13           HB3      LEU  13   6.084   4.128 -10.765
   88    HG   LEU  13           HG       LEU  13   8.895   3.968 -11.965
   89   HD11  LEU  13          HD11      LEU  13   8.304   1.637 -12.545
   90   HD12  LEU  13          HD12      LEU  13   8.356   1.877 -10.792
   91   HD13  LEU  13          HD13      LEU  13   6.789   1.784 -11.625
   92   HD21  LEU  13          HD21      LEU  13   7.722   3.496 -14.060
   93   HD22  LEU  13          HD22      LEU  13   6.150   3.585 -13.238
   94   HD23  LEU  13          HD23      LEU  13   7.140   5.044 -13.421
   95    H    ILE  14           H        ILE  14   5.255   7.411 -11.028
   96    HA   ILE  14           HA       ILE  14   4.944   8.034  -8.110
   97    HB   ILE  14           HB       ILE  14   3.828   9.534 -10.519
   98   HG12  ILE  14          HG12      ILE  14   6.247   9.790 -10.618
   99   HG13  ILE  14          HG13      ILE  14   5.457  11.293 -10.186
  100   HG21  ILE  14          HG21      ILE  14   3.953  10.246  -7.553
  101   HG22  ILE  14          HG22      ILE  14   3.395  11.333  -8.843
  102   HG23  ILE  14          HG23      ILE  14   2.506   9.854  -8.497
  103   HD11  ILE  14          HD11      ILE  14   6.131  11.045  -7.839
  104   HD12  ILE  14          HD12      ILE  14   6.831   9.434  -8.187
  105   HD13  ILE  14          HD13      ILE  14   7.536  10.886  -8.907
  106    H    GLU  15           H        GLU  15   3.186   7.229  -7.153
  107    HA   GLU  15           HA       GLU  15   0.946   6.089  -8.783
  108    HB2  GLU  15           HB2      GLU  15   2.232   4.436  -7.467
  109    HB3  GLU  15           HB3      GLU  15   1.969   5.389  -6.000
  110    HG2  GLU  15           HG2      GLU  15  -0.434   4.963  -6.107
  111    HG3  GLU  15           HG3      GLU  15  -0.265   4.191  -7.691
  112    H    ILE  16           H        ILE  16  -0.985   7.044  -8.514
  113    HA   ILE  16           HA       ILE  16  -1.309   9.234  -6.486
  114    HB   ILE  16           HB       ILE  16  -2.206   9.201  -9.395
  115   HG12  ILE  16          HG12      ILE  16   0.143  10.736  -8.203
  116   HG13  ILE  16          HG13      ILE  16   0.283   9.326  -9.262
  117   HG21  ILE  16          HG21      ILE  16  -2.180  11.485  -7.371
  118   HG22  ILE  16          HG22      ILE  16  -2.745  11.584  -9.048
  119   HG23  ILE  16          HG23      ILE  16  -3.626  10.594  -7.908
  120   HD11  ILE  16          HD11      ILE  16   0.692  11.267 -10.573
  121   HD12  ILE  16          HD12      ILE  16  -0.848  10.544 -11.091
  122   HD13  ILE  16          HD13      ILE  16  -0.838  12.011 -10.082
  123    H    PHE  17           H        PHE  17  -3.298   9.414  -5.555
  124    HA   PHE  17           HA       PHE  17  -5.412   7.423  -6.277
  125    HB2  PHE  17           HB2      PHE  17  -4.588   8.377  -3.515
  126    HB3  PHE  17           HB3      PHE  17  -5.905   7.274  -3.883
  127    HD1  PHE  17           HD1      PHE  17  -5.406   4.974  -4.796
  128    HD2  PHE  17           HD2      PHE  17  -2.291   7.626  -3.417
  129    HE1  PHE  17           HE1      PHE  17  -3.839   3.054  -4.633
  130    HE2  PHE  17           HE2      PHE  17  -0.728   5.704  -3.262
  131    HZ   PHE  17           HZ       PHE  17  -1.501   3.415  -3.867
  132    H    ARG  18           H        ARG  18  -6.893   8.555  -7.280
  133    HA   ARG  18           HA       ARG  18  -7.913  11.164  -6.273
  134    HB2  ARG  18           HB2      ARG  18  -7.428  10.776  -8.723
  135    HB3  ARG  18           HB3      ARG  18  -8.685   9.536  -8.746
  136    HG2  ARG  18           HG2      ARG  18 -10.401  11.197  -8.215
  137    HG3  ARG  18           HG3      ARG  18  -9.168  12.456  -8.008
  138    HD2  ARG  18           HD2      ARG  18  -8.530  12.187 -10.394
  139    HD3  ARG  18           HD3      ARG  18  -9.779  10.962 -10.606
  140    HE   ARG  18           HE       ARG  18 -10.099  13.866 -10.409
  141   HH11  ARG  18          HH11      ARG  18 -11.931  10.833 -10.120
  142   HH12  ARG  18          HH12      ARG  18 -13.442  11.634 -10.408
  143   HH21  ARG  18          HH21      ARG  18 -12.083  14.803 -10.784
  144   HH22  ARG  18          HH22      ARG  18 -13.528  13.840 -10.771
  145    H    LEU  19           H        LEU  19 -10.324  11.251  -5.901
  146    HA   LEU  19           HA       LEU  19 -11.343   9.236  -4.190
  147    HB2  LEU  19           HB2      LEU  19 -12.642  11.507  -5.735
  148    HB3  LEU  19           HB3      LEU  19 -13.596  10.364  -4.797
  149    HG   LEU  19           HG       LEU  19 -12.397  10.949  -2.737
  150   HD11  LEU  19          HD11      LEU  19 -10.223  11.740  -3.526
  151   HD12  LEU  19          HD12      LEU  19 -10.995  13.069  -4.431
  152   HD13  LEU  19          HD13      LEU  19 -11.026  13.042  -2.655
  153   HD21  LEU  19          HD21      LEU  19 -13.578  13.331  -4.231
  154   HD22  LEU  19          HD22      LEU  19 -14.501  12.075  -3.378
  155   HD23  LEU  19          HD23      LEU  19 -13.444  13.167  -2.466
  156    H    GLY  20           H        GLY  20 -11.620   7.190  -4.739
  157    HA2  GLY  20           HA2      GLY  20 -12.761   5.372  -5.590
  158    HA3  GLY  20           HA3      GLY  20 -13.529   6.403  -6.816
  159    H    TYR  21           H        TYR  21 -10.195   6.919  -7.153
  160    HA   TYR  21           HA       TYR  21  -9.769   4.679  -8.988
  161    HB2  TYR  21           HB2      TYR  21 -10.043   7.546  -9.969
  162    HB3  TYR  21           HB3      TYR  21  -9.413   6.220 -10.927
  163    HD1  TYR  21           HD2      TYR  21 -10.901   4.318 -11.616
  164    HD2  TYR  21           HD1      TYR  21 -12.432   7.871  -9.714
  165    HE1  TYR  21           HE2      TYR  21 -13.190   3.743 -12.394
  166    HE2  TYR  21           HE1      TYR  21 -14.724   7.305 -10.496
  167    HH   TYR  21           HH       TYR  21 -15.421   4.362 -12.440
  168    H    GLU  22           H        GLU  22  -7.698   4.094  -9.056
  169    HA   GLU  22           HA       GLU  22  -5.514   5.776  -8.180
  170    HB2  GLU  22           HB2      GLU  22  -5.359   3.167  -9.724
  171    HB3  GLU  22           HB3      GLU  22  -4.109   3.926  -8.744
  172    HG2  GLU  22           HG2      GLU  22  -4.780   2.419  -7.220
  173    HG3  GLU  22           HG3      GLU  22  -5.974   3.639  -6.813
  174    H    HIS  23           H        HIS  23  -3.710   6.476  -9.457
  175    HA   HIS  23           HA       HIS  23  -3.772   6.261 -12.371
  176    HB2  HIS  23           HB2      HIS  23  -5.136   8.366 -11.586
  177    HB3  HIS  23           HB3      HIS  23  -3.572   9.072 -11.229
  178    HD1  HIS  23           HD1      HIS  23  -2.147   9.831 -13.452
  179    HD2  HIS  23           HD2      HIS  23  -5.838   7.917 -14.114
  180    HE1  HIS  23           HE1      HIS  23  -2.680  10.121 -15.924
  181    H    TRP  24           H        TRP  24  -1.637   7.252 -13.318
  182    HA   TRP  24           HA       TRP  24   0.640   7.102 -11.388
  183    HB2  TRP  24           HB2      TRP  24   0.269   5.251 -13.774
  184    HB3  TRP  24           HB3      TRP  24   1.729   5.404 -12.817
  185    HD1  TRP  24           HD1      TRP  24   1.901   4.180 -10.555
  186    HE1  TRP  24           HE1      TRP  24   0.514   2.345  -9.408
  187    HE3  TRP  24           HE3      TRP  24  -2.337   4.462 -13.403
  188    HZ2  TRP  24           HZ2      TRP  24  -2.105   1.165  -9.686
  189    HZ3  TRP  24           HZ3      TRP  24  -4.267   2.958 -12.955
  190    HH2  TRP  24           HH2      TRP  24  -4.155   1.302 -11.109
  191    H    ALA  25           H        ALA  25   2.681   7.742 -12.208
  192    HA   ALA  25           HA       ALA  25   2.912   8.868 -14.917
  193    HB1  ALA  25           HB1      ALA  25   1.817  10.711 -13.609
  194    HB2  ALA  25           HB2      ALA  25   3.200  10.712 -12.495
  195    HB3  ALA  25           HB3      ALA  25   3.426  11.131 -14.207
  196    H    LEU  26           H        LEU  26   5.096   9.490 -15.488
  197    HA   LEU  26           HA       LEU  26   7.272   8.308 -13.809
  198    HB2  LEU  26           HB2      LEU  26   6.757   7.641 -16.298
  199    HB3  LEU  26           HB3      LEU  26   7.411   9.195 -16.737
  200    HG   LEU  26           HG       LEU  26   9.060   7.539 -17.089
  201   HD11  LEU  26          HD11      LEU  26   9.964   8.877 -14.517
  202   HD12  LEU  26          HD12      LEU  26  10.959   8.306 -15.865
  203   HD13  LEU  26          HD13      LEU  26   9.877   9.690 -16.098
  204   HD21  LEU  26          HD21      LEU  26   8.821   6.682 -14.169
  205   HD22  LEU  26          HD22      LEU  26   8.164   5.790 -15.561
  206   HD23  LEU  26          HD23      LEU  26   9.913   6.002 -15.387
  207    H    TYR  27           H        TYR  27   8.414   9.816 -12.610
  208    HA   TYR  27           HA       TYR  27   8.139  12.695 -13.242
  209    HB2  TYR  27           HB2      TYR  27   7.849  11.882 -10.967
  210    HB3  TYR  27           HB3      TYR  27   9.481  11.224 -10.962
  211    HD1  TYR  27           HD1      TYR  27  11.428  12.702 -10.843
  212    HD2  TYR  27           HD2      TYR  27   7.433  14.278 -10.710
  213    HE1  TYR  27           HE1      TYR  27  12.308  14.833  -9.877
  214    HE2  TYR  27           HE2      TYR  27   8.302  16.428  -9.825
  215    HH   TYR  27           HH       TYR  27  11.779  16.952  -9.087
  216    H    ILE  28           H        ILE  28   9.641  14.023 -14.083
  217    HA   ILE  28           HA       ILE  28  12.198  12.696 -15.000
  218    HB   ILE  28           HB       ILE  28  12.045  13.866 -17.048
  219   HG12  ILE  28          HG12      ILE  28   9.415  15.126 -16.177
  220   HG13  ILE  28          HG13      ILE  28  10.963  15.976 -16.179
  221   HG21  ILE  28          HG21      ILE  28   9.272  12.676 -16.551
  222   HG22  ILE  28          HG22      ILE  28  10.204  12.704 -18.054
  223   HG23  ILE  28          HG23      ILE  28  10.751  11.709 -16.711
  224   HD11  ILE  28          HD11      ILE  28   9.533  14.830 -18.604
  225   HD12  ILE  28          HD12      ILE  28   9.812  16.537 -18.209
  226   HD13  ILE  28          HD13      ILE  28  11.185  15.498 -18.634
  227    H    GLY  29           H        GLY  29  11.396  14.976 -12.796
  228    HA2  GLY  29           HA2      GLY  29  13.077  16.242 -11.609
  229    HA3  GLY  29           HA3      GLY  29  14.016  16.415 -13.094
  230    H    ASP  30           H        ASP  30  13.618  18.567 -11.607
  231    HA   ASP  30           HA       ASP  30  13.014  20.732 -11.546
  232    HB2  ASP  30           HB2      ASP  30  13.598  20.522 -13.981
  233    HB3  ASP  30           HB3      ASP  30  11.880  20.348 -14.337
  234    H    GLY  31           H        GLY  31  10.745  18.443 -11.260
  235    HA2  GLY  31           HA2      GLY  31   8.640  18.636 -10.170
  236    HA3  GLY  31           HA3      GLY  31   8.466  20.300 -10.744
  237    H    TYR  32           H        TYR  32   9.516  18.320 -13.340
  238    HA   TYR  32           HA       TYR  32   6.759  18.215 -14.417
  239    HB2  TYR  32           HB2      TYR  32   9.507  17.848 -15.656
  240    HB3  TYR  32           HB3      TYR  32   8.041  17.410 -16.516
  241    HD1  TYR  32           HD2      TYR  32   6.168  19.231 -16.727
  242    HD2  TYR  32           HD1      TYR  32  10.336  20.028 -15.989
  243    HE1  TYR  32           HE2      TYR  32   5.890  21.510 -17.668
  244    HE2  TYR  32           HE1      TYR  32  10.071  22.307 -16.938
  245    HH   TYR  32           HH       TYR  32   6.925  23.528 -18.170
  246    H    VAL  33           H        VAL  33   5.807  16.438 -15.345
  247    HA   VAL  33           HA       VAL  33   6.986  13.744 -14.866
  248    HB   VAL  33           HB       VAL  33   4.712  12.863 -14.405
  249   HG11  VAL  33          HG11      VAL  33   6.190  13.169 -12.525
  250   HG12  VAL  33          HG12      VAL  33   5.683  14.867 -12.361
  251   HG13  VAL  33          HG13      VAL  33   4.534  13.543 -12.055
  252   HG21  VAL  33          HG21      VAL  33   2.887  14.273 -13.653
  253   HG22  VAL  33          HG22      VAL  33   3.844  15.739 -13.914
  254   HG23  VAL  33          HG23      VAL  33   3.325  14.751 -15.296
  255    H    ILE  34           H        ILE  34   6.282  12.155 -16.311
  256    HA   ILE  34           HA       ILE  34   4.734  13.076 -18.718
  257    HB   ILE  34           HB       ILE  34   7.171  11.268 -18.511
  258   HG12  ILE  34          HG12      ILE  34   6.419  13.611 -20.321
  259   HG13  ILE  34          HG13      ILE  34   7.446  13.714 -18.894
  260   HG21  ILE  34          HG21      ILE  34   5.102  11.374 -20.778
  261   HG22  ILE  34          HG22      ILE  34   6.696  10.607 -20.916
  262   HG23  ILE  34          HG23      ILE  34   5.525   9.965 -19.782
  263   HD11  ILE  34          HD11      ILE  34   9.102  12.202 -20.002
  264   HD12  ILE  34          HD12      ILE  34   8.111  12.262 -21.478
  265   HD13  ILE  34          HD13      ILE  34   8.836  13.739 -20.845
  266    H    HIS  35           H        HIS  35   2.962  11.825 -19.246
  267    HA   HIS  35           HA       HIS  35   2.330   9.407 -17.669
  268    HB2  HIS  35           HB2      HIS  35   0.424  10.441 -16.556
  269    HB3  HIS  35           HB3      HIS  35   1.876  11.345 -16.144
  270    HD1  HIS  35           HD1      HIS  35  -1.473  11.796 -17.881
  271    HD2  HIS  35           HD2      HIS  35   2.198  13.801 -17.411
  272    HE1  HIS  35           HE1      HIS  35  -1.854  14.208 -18.640
  273    H    LEU  36           H        LEU  36   0.127   8.575 -18.298
  274    HA   LEU  36           HA       LEU  36  -0.523   9.193 -21.129
  275    HB2  LEU  36           HB2      LEU  36  -0.243   6.824 -20.332
  276    HB3  LEU  36           HB3      LEU  36  -1.552   7.083 -19.185
  277    HG   LEU  36           HG       LEU  36  -3.090   7.508 -21.149
  278   HD11  LEU  36          HD11      LEU  36  -2.364   6.777 -23.392
  279   HD12  LEU  36          HD12      LEU  36  -1.322   8.084 -22.832
  280   HD13  LEU  36          HD13      LEU  36  -0.738   6.412 -22.771
  281   HD21  LEU  36          HD21      LEU  36  -1.685   4.804 -21.080
  282   HD22  LEU  36          HD22      LEU  36  -3.001   5.331 -20.013
  283   HD23  LEU  36          HD23      LEU  36  -3.306   5.126 -21.742
  284    H    ALA  37           H        ALA  37  -2.452  10.242 -21.676
  285    HA   ALA  37           HA       ALA  37  -4.040  11.453 -19.435
  286    HB1  ALA  37           HB1      ALA  37  -4.304  13.344 -20.964
  287    HB2  ALA  37           HB2      ALA  37  -2.582  12.971 -20.712
  288    HB3  ALA  37           HB3      ALA  37  -3.380  12.491 -22.222
  289    HA   PRO  38           HA       PRO  38  -7.339   8.969 -21.397
  290    HB2  PRO  38           HB2      PRO  38  -8.753  10.056 -18.962
  291    HB3  PRO  38           HB3      PRO  38  -8.839   8.424 -19.686
  292    HG2  PRO  38           HG2      PRO  38  -7.324   8.863 -17.479
  293    HG3  PRO  38           HG3      PRO  38  -6.672   7.854 -18.816
  294    HD2  PRO  38           HD2      PRO  38  -6.127  10.779 -18.240
  295    HD3  PRO  38           HD3      PRO  38  -4.978   9.471 -18.651
  296    HA   PRO  39           HA       PRO  39  -9.443  12.690 -23.030
  297    HB2  PRO  39           HB2      PRO  39 -10.680  11.633 -25.163
  298    HB3  PRO  39           HB3      PRO  39  -8.898  11.564 -25.037
  299    HG2  PRO  39           HG2      PRO  39 -10.896   9.404 -24.286
  300    HG3  PRO  39           HG3      PRO  39  -9.447   9.265 -25.339
  301    HD2  PRO  39           HD2      PRO  39  -9.450   8.649 -22.629
  302    HD3  PRO  39           HD3      PRO  39  -8.009   9.215 -23.519
  303    H    SER  40           H        SER  40 -11.926  12.960 -23.980
  304    HA   SER  40           HA       SER  40 -13.800  12.345 -21.813
  305    HB2  SER  40           HB2      SER  40 -15.375  13.634 -23.256
  306    HB3  SER  40           HB3      SER  40 -13.914  14.517 -22.797
  307    HG   SER  40           HG       SER  40 -14.390  14.800 -25.032
  308    H    GLU  41           H        GLU  41 -16.007  11.475 -22.391
  309    HA   GLU  41           HA       GLU  41 -15.712   8.825 -23.532
  310    HB2  GLU  41           HB2      GLU  41 -17.024   9.384 -21.477
  311    HB3  GLU  41           HB3      GLU  41 -18.191  10.244 -22.483
  312    HG2  GLU  41           HG2      GLU  41 -18.757   8.141 -23.652
  313    HG3  GLU  41           HG3      GLU  41 -17.501   7.286 -22.746
  314    H    TYR  42           H        TYR  42 -16.689   7.951 -25.284
  315    HA   TYR  42           HA       TYR  42 -18.011   7.572 -27.030
  316    HB2  TYR  42           HB2      TYR  42 -19.619   9.265 -26.102
  317    HB3  TYR  42           HB3      TYR  42 -18.902  10.454 -27.187
  318    HD1  TYR  42           HD2      TYR  42 -20.695   7.174 -27.094
  319    HD2  TYR  42           HD1      TYR  42 -19.562  10.591 -29.470
  320    HE1  TYR  42           HE2      TYR  42 -22.227   6.424 -28.902
  321    HE2  TYR  42           HE1      TYR  42 -21.107   9.855 -31.270
  322    HH   TYR  42           HH       TYR  42 -23.105   6.881 -30.990
  323    HA   PRO  43           HA       PRO  43 -14.897   8.680 -30.034
  324    HB2  PRO  43           HB2      PRO  43 -15.357   6.847 -31.966
  325    HB3  PRO  43           HB3      PRO  43 -14.862   6.352 -30.319
  326    HG2  PRO  43           HG2      PRO  43 -17.687   6.510 -31.435
  327    HG3  PRO  43           HG3      PRO  43 -16.903   5.112 -30.630
  328    HD2  PRO  43           HD2      PRO  43 -18.479   6.872 -29.268
  329    HD3  PRO  43           HD3      PRO  43 -17.035   6.132 -28.516
  330    H    GLY  44           H        GLY  44 -14.780   9.098 -32.529
  331    HA2  GLY  44           HA2      GLY  44 -16.758  11.125 -33.284
  332    HA3  GLY  44           HA3      GLY  44 -15.306  10.639 -34.186
  333    H    ALA  45           H        ALA  45 -17.448  11.187 -35.599
  334    HA   ALA  45           HA       ALA  45 -18.758  10.510 -37.287
  335    HB1  ALA  45           HB1      ALA  45 -17.363   7.820 -37.055
  336    HB2  ALA  45           HB2      ALA  45 -18.129   8.520 -38.488
  337    HB3  ALA  45           HB3      ALA  45 -16.668   9.272 -37.813
  338    H    GLY  46           H        GLY  46 -19.671   9.879 -34.413
  339    HA2  GLY  46           HA2      GLY  46 -21.942   8.016 -34.984
  340    HA3  GLY  46           HA3      GLY  46 -21.393   8.561 -33.386
  341    H    SER  47           H        SER  47 -24.042   8.733 -33.953
  342    HA   SER  47           HA       SER  47 -25.037  10.870 -35.387
  343    HB2  SER  47           HB2      SER  47 -26.189   9.766 -32.800
  344    HB3  SER  47           HB3      SER  47 -27.078  10.605 -34.086
  345    HG   SER  47           HG       SER  47 -27.279   8.305 -34.273
  346    H    SER  48           H        SER  48 -23.781  11.074 -32.046
  347    HA   SER  48           HA       SER  48 -24.502  13.948 -31.844
  348    HB2  SER  48           HB2      SER  48 -23.667  13.665 -29.520
  349    HB3  SER  48           HB3      SER  48 -24.995  12.573 -29.941
  350    HG   SER  48           HG       SER  48 -23.296  11.461 -28.829
  351    H    SER  49           H        SER  49 -21.895  12.255 -33.160
  352    HA   SER  49           HA       SER  49 -19.938  14.439 -32.495
  353    HB2  SER  49           HB2      SER  49 -18.241  12.739 -32.299
  354    HB3  SER  49           HB3      SER  49 -19.587  12.372 -31.208
  355    HG   SER  49           HG       SER  49 -18.964  10.501 -32.290
  356    H    VAL  50           H        VAL  50 -21.310  12.738 -35.189
  357    HA   VAL  50           HA       VAL  50 -19.334  12.687 -37.081
  358    HB   VAL  50           HB       VAL  50 -21.122  13.519 -38.792
  359   HG11  VAL  50          HG11      VAL  50 -21.608  11.039 -37.126
  360   HG12  VAL  50          HG12      VAL  50 -22.292  11.365 -38.727
  361   HG13  VAL  50          HG13      VAL  50 -20.546  11.189 -38.539
  362   HG21  VAL  50          HG21      VAL  50 -22.573  14.723 -37.171
  363   HG22  VAL  50          HG22      VAL  50 -23.434  13.473 -38.077
  364   HG23  VAL  50          HG23      VAL  50 -22.972  13.175 -36.397
  365    H    PHE  51           H        PHE  51 -20.755  15.708 -35.914
  366    HA   PHE  51           HA       PHE  51 -19.434  17.332 -37.976
  367    HB2  PHE  51           HB2      PHE  51 -20.500  19.210 -36.783
  368    HB3  PHE  51           HB3      PHE  51 -21.635  17.968 -37.267
  369    HD1  PHE  51           HD2      PHE  51 -19.863  19.465 -34.349
  370    HD2  PHE  51           HD1      PHE  51 -22.940  16.725 -35.641
  371    HE1  PHE  51           HE2      PHE  51 -20.692  19.288 -32.013
  372    HE2  PHE  51           HE1      PHE  51 -23.758  16.552 -33.306
  373    HZ   PHE  51           HZ       PHE  51 -22.638  17.832 -31.489
  374    H    SER  52           H        SER  52 -18.708  16.344 -34.650
  375    HA   SER  52           HA       SER  52 -16.558  18.389 -34.394
  376    HB2  SER  52           HB2      SER  52 -16.508  17.557 -32.046
  377    HB3  SER  52           HB3      SER  52 -18.076  18.210 -32.550
  378    HG   SER  52           HG       SER  52 -18.379  16.254 -31.436
  379    H    VAL  53           H        VAL  53 -16.971  14.871 -34.605
  380    HA   VAL  53           HA       VAL  53 -15.590  13.163 -35.004
  381    HB   VAL  53           HB       VAL  53 -13.479  15.102 -36.038
  382   HG11  VAL  53          HG11      VAL  53 -12.880  13.163 -37.470
  383   HG12  VAL  53          HG12      VAL  53 -12.725  12.739 -35.763
  384   HG13  VAL  53          HG13      VAL  53 -14.134  12.184 -36.687
  385   HG21  VAL  53          HG21      VAL  53 -15.881  13.879 -37.475
  386   HG22  VAL  53          HG22      VAL  53 -15.613  15.607 -37.166
  387   HG23  VAL  53          HG23      VAL  53 -14.538  14.735 -38.260
  388    H    LEU  54           H        LEU  54 -15.664  12.927 -32.740
  389    HA   LEU  54           HA       LEU  54 -13.452  13.717 -31.011
  390    HB2  LEU  54           HB2      LEU  54 -15.762  11.788 -30.532
  391    HB3  LEU  54           HB3      LEU  54 -14.740  12.487 -29.294
  392    HG   LEU  54           HG       LEU  54 -16.709  14.019 -31.039
  393   HD11  LEU  54          HD11      LEU  54 -16.772  13.300 -28.083
  394   HD12  LEU  54          HD12      LEU  54 -17.981  14.266 -28.953
  395   HD13  LEU  54          HD13      LEU  54 -17.760  12.551 -29.354
  396   HD21  LEU  54          HD21      LEU  54 -16.237  15.932 -29.510
  397   HD22  LEU  54          HD22      LEU  54 -14.917  15.001 -28.774
  398   HD23  LEU  54          HD23      LEU  54 -14.830  15.486 -30.481
  399    H    SER  55           H        SER  55 -12.712  11.804 -29.445
  400    HA   SER  55           HA       SER  55 -12.133   9.252 -30.764
  401    HB2  SER  55           HB2      SER  55 -10.315  10.694 -31.627
  402    HB3  SER  55           HB3      SER  55  -9.859  11.103 -29.960
  403    HG   SER  55           HG       SER  55  -8.664   9.291 -31.025
  404    H    ASN  56           H        ASN  56 -11.408   7.656 -29.266
  405    HA   ASN  56           HA       ASN  56 -11.496   8.440 -26.369
  406    HB2  ASN  56           HB2      ASN  56 -12.527   5.916 -27.706
  407    HB3  ASN  56           HB3      ASN  56 -12.365   6.141 -25.958
  408   HD21  ASN  56          HD22      ASN  56 -13.228   9.203 -26.838
  409   HD22  ASN  56          HD21      ASN  56 -14.964   9.027 -26.701
  410    H    SER  57           H        SER  57  -9.228   7.753 -28.636
  411    HA   SER  57           HA       SER  57  -7.577   5.908 -27.055
  412    HB2  SER  57           HB2      SER  57  -6.817   7.814 -29.299
  413    HB3  SER  57           HB3      SER  57  -5.784   6.561 -28.582
  414    HG   SER  57           HG       SER  57  -6.847   5.845 -30.541
  415    H    ALA  58           H        ALA  58  -6.194   6.417 -25.432
  416    HA   ALA  58           HA       ALA  58  -6.058   9.175 -24.361
  417    HB1  ALA  58           HB1      ALA  58  -4.847   8.063 -22.526
  418    HB2  ALA  58           HB2      ALA  58  -6.374   7.216 -22.846
  419    HB3  ALA  58           HB3      ALA  58  -4.842   6.529 -23.422
  420    H    GLU  59           H        GLU  59  -4.092  10.363 -24.178
  421    HA   GLU  59           HA       GLU  59  -1.988   9.552 -26.165
  422    HB2  GLU  59           HB2      GLU  59  -3.432  11.601 -26.683
  423    HB3  GLU  59           HB3      GLU  59  -2.629  12.395 -25.316
  424    HG2  GLU  59           HG2      GLU  59  -0.421  12.011 -26.419
  425    HG3  GLU  59           HG3      GLU  59  -1.224  11.190 -27.756
  426    H    VAL  60           H        VAL  60   0.169   9.611 -25.528
  427    HA   VAL  60           HA       VAL  60   0.769   9.992 -22.670
  428    HB   VAL  60           HB       VAL  60   2.644   9.546 -24.994
  429   HG11  VAL  60          HG11      VAL  60   3.794  10.575 -23.018
  430   HG12  VAL  60          HG12      VAL  60   3.111   9.326 -21.983
  431   HG13  VAL  60          HG13      VAL  60   4.307   8.911 -23.250
  432   HG21  VAL  60          HG21      VAL  60   2.786   7.199 -24.185
  433   HG22  VAL  60          HG22      VAL  60   1.559   7.551 -22.944
  434   HG23  VAL  60          HG23      VAL  60   1.137   7.594 -24.668
  435    H    LYS  61           H        LYS  61   1.384  11.858 -21.755
  436    HA   LYS  61           HA       LYS  61   2.279  14.196 -23.405
  437    HB2  LYS  61           HB2      LYS  61  -0.055  14.039 -21.448
  438    HB3  LYS  61           HB3      LYS  61   0.635  15.565 -22.006
  439    HG2  LYS  61           HG2      LYS  61   0.079  14.971 -24.358
  440    HG3  LYS  61           HG3      LYS  61  -0.706  13.483 -23.783
  441    HD2  LYS  61           HD2      LYS  61  -2.261  14.776 -22.413
  442    HD3  LYS  61           HD3      LYS  61  -1.485  16.293 -22.876
  443    HE2  LYS  61           HE2      LYS  61  -3.043  14.403 -24.704
  444    HE3  LYS  61           HE3      LYS  61  -3.635  15.912 -24.015
  445    HZ1  LYS  61           HZ1      LYS  61  -2.940  16.399 -26.201
  446    HZ2  LYS  61           HZ2      LYS  61  -1.761  17.036 -25.265
  447    HZ3  LYS  61           HZ3      LYS  61  -1.524  15.608 -26.079
  448    H    ARG  62           H        ARG  62   3.230  15.940 -22.192
  449    HA   ARG  62           HA       ARG  62   4.436  15.190 -19.557
  450    HB2  ARG  62           HB2      ARG  62   5.987  15.864 -21.434
  451    HB3  ARG  62           HB3      ARG  62   5.217  17.449 -21.445
  452    HG2  ARG  62           HG2      ARG  62   5.878  17.618 -18.929
  453    HG3  ARG  62           HG3      ARG  62   6.812  16.148 -19.196
  454    HD2  ARG  62           HD2      ARG  62   8.318  17.963 -19.345
  455    HD3  ARG  62           HD3      ARG  62   8.074  17.420 -21.019
  456    HE   ARG  62           HE       ARG  62   6.176  19.416 -20.659
  457   HH11  ARG  62          HH11      ARG  62   9.708  19.390 -20.330
  458   HH12  ARG  62          HH12      ARG  62   9.831  21.093 -20.644
  459   HH21  ARG  62          HH21      ARG  62   6.425  21.601 -21.099
  460   HH22  ARG  62          HH22      ARG  62   8.002  22.319 -21.071
  461    H    GLU  63           H        GLU  63   3.833  16.294 -17.739
  462    HA   GLU  63           HA       GLU  63   2.698  19.008 -17.877
  463    HB2  GLU  63           HB2      GLU  63   1.246  16.618 -16.714
  464    HB3  GLU  63           HB3      GLU  63   0.957  18.233 -16.087
  465    HG2  GLU  63           HG2      GLU  63   0.510  17.384 -18.954
  466    HG3  GLU  63           HG3      GLU  63  -0.733  17.572 -17.724
  467    H    ARG  64           H        ARG  64   2.512  19.863 -15.484
  468    HA   ARG  64           HA       ARG  64   4.933  19.034 -14.021
  469    HB2  ARG  64           HB2      ARG  64   2.964  21.297 -13.641
  470    HB3  ARG  64           HB3      ARG  64   4.162  20.869 -12.406
  471    HG2  ARG  64           HG2      ARG  64   5.962  21.018 -14.150
  472    HG3  ARG  64           HG3      ARG  64   4.762  21.646 -15.290
  473    HD2  ARG  64           HD2      ARG  64   4.406  23.618 -13.947
  474    HD3  ARG  64           HD3      ARG  64   5.319  22.957 -12.597
  475    HE   ARG  64           HE       ARG  64   6.386  24.220 -15.015
  476   HH11  ARG  64          HH21      ARG  64   7.280  22.135 -12.296
  477   HH12  ARG  64          HH22      ARG  64   8.990  22.307 -12.613
  478   HH21  ARG  64          HH11      ARG  64   8.633  24.383 -15.341
  479   HH22  ARG  64          HH12      ARG  64   9.724  23.486 -14.316
  480    H    LEU  65           H        LEU  65   5.070  18.121 -12.067
  481    HA   LEU  65           HA       LEU  65   3.269  16.117 -11.287
  482    HB2  LEU  65           HB2      LEU  65   5.649  16.247 -10.549
  483    HB3  LEU  65           HB3      LEU  65   5.293  17.676  -9.595
  484    HG   LEU  65           HG       LEU  65   3.767  16.309  -8.137
  485   HD11  LEU  65          HD11      LEU  65   4.858  13.928  -9.707
  486   HD12  LEU  65          HD12      LEU  65   3.849  13.857  -8.251
  487   HD13  LEU  65          HD13      LEU  65   3.171  14.512  -9.750
  488   HD21  LEU  65          HD21      LEU  65   6.608  15.266  -8.408
  489   HD22  LEU  65          HD22      LEU  65   6.101  16.701  -7.497
  490   HD23  LEU  65          HD23      LEU  65   5.568  15.090  -6.976
  491    H    GLU  66           H        GLU  66   3.577  19.357  -9.747
  492    HA   GLU  66           HA       GLU  66   1.531  19.131  -7.851
  493    HB2  GLU  66           HB2      GLU  66   1.951  21.729  -9.374
  494    HB3  GLU  66           HB3      GLU  66   1.481  21.480  -7.688
  495    HG2  GLU  66           HG2      GLU  66   3.792  20.483  -7.327
  496    HG3  GLU  66           HG3      GLU  66   4.173  21.015  -8.980
  497    H    ASP  67           H        ASP  67   1.243  20.423 -11.199
  498    HA   ASP  67           HA       ASP  67  -1.540  20.811 -11.114
  499    HB2  ASP  67           HB2      ASP  67   0.352  20.326 -13.446
  500    HB3  ASP  67           HB3      ASP  67  -1.357  20.685 -13.667
  501    H    VAL  68           H        VAL  68   0.299  17.913 -12.022
  502    HA   VAL  68           HA       VAL  68  -1.959  16.379 -12.884
  503    HB   VAL  68           HB       VAL  68   0.887  15.647 -12.199
  504   HG11  VAL  68          HG11      VAL  68   0.467  13.388 -13.150
  505   HG12  VAL  68          HG12      VAL  68  -0.352  13.638 -11.609
  506   HG13  VAL  68          HG13      VAL  68  -1.282  13.715 -13.127
  507   HG21  VAL  68          HG21      VAL  68   0.955  15.196 -14.649
  508   HG22  VAL  68          HG22      VAL  68  -0.757  15.632 -14.779
  509   HG23  VAL  68          HG23      VAL  68   0.437  16.857 -14.313
  510    H    VAL  69           H        VAL  69  -0.138  16.326  -9.710
  511    HA   VAL  69           HA       VAL  69  -1.979  14.427  -8.601
  512    HB   VAL  69           HB       VAL  69  -0.748  14.615  -6.593
  513   HG11  VAL  69          HG11      VAL  69   1.105  14.653  -8.979
  514   HG12  VAL  69          HG12      VAL  69   1.516  14.043  -7.368
  515   HG13  VAL  69          HG13      VAL  69   0.238  13.261  -8.309
  516   HG21  VAL  69          HG21      VAL  69   1.207  16.208  -6.356
  517   HG22  VAL  69          HG22      VAL  69   0.529  17.118  -7.705
  518   HG23  VAL  69          HG23      VAL  69  -0.399  16.937  -6.218
  519    H    GLY  70           H        GLY  70  -2.542  17.669  -9.177
  520    HA2  GLY  70           HA2      GLY  70  -3.532  18.750  -6.809
  521    HA3  GLY  70           HA3      GLY  70  -4.130  19.175  -8.417
  522    H    GLY  71           H        GLY  71  -5.212  18.445  -5.522
  523    HA2  GLY  71           HA2      GLY  71  -7.284  17.805  -4.707
  524    HA3  GLY  71           HA3      GLY  71  -7.782  17.348  -6.351
  525    H    CYS  72           H        CYS  72  -4.898  15.754  -5.668
  526    HA   CYS  72           HA       CYS  72  -6.289  13.243  -4.778
  527    HB2  CYS  72           HB2      CYS  72  -4.049  13.552  -6.844
  528    HB3  CYS  72           HB3      CYS  72  -4.853  12.052  -6.377
  529    HG   CYS  72           HG       CYS  72  -6.164  14.744  -7.831
  530    H    CYS  73           H        CYS  73  -4.886  11.646  -3.827
  531    HA   CYS  73           HA       CYS  73  -2.557  12.727  -2.294
  532    HB2  CYS  73           HB2      CYS  73  -4.091  10.086  -2.119
  533    HB3  CYS  73           HB3      CYS  73  -2.692  10.513  -1.115
  534    HG   CYS  73           HG       CYS  73  -4.908  10.795   0.301
  535    H    TYR  74           H        TYR  74  -0.472  11.498  -2.403
  536    HA   TYR  74           HA       TYR  74  -0.115   9.604  -4.568
  537    HB2  TYR  74           HB2      TYR  74   1.266  10.868  -6.030
  538    HB3  TYR  74           HB3      TYR  74  -0.185  11.807  -5.797
  539    HD1  TYR  74           HD1      TYR  74  -0.117  13.783  -4.127
  540    HD2  TYR  74           HD2      TYR  74   3.419  11.773  -5.572
  541    HE1  TYR  74           HE1      TYR  74   1.269  15.743  -3.466
  542    HE2  TYR  74           HE2      TYR  74   4.797  13.732  -4.927
  543    HH   TYR  74           HH       TYR  74   4.818  15.850  -3.993
  544    H    ARG  75           H        ARG  75   2.070   8.841  -4.886
  545    HA   ARG  75           HA       ARG  75   4.145   9.421  -2.906
  546    HB2  ARG  75           HB2      ARG  75   4.218   7.200  -1.910
  547    HB3  ARG  75           HB3      ARG  75   2.654   7.940  -1.619
  548    HG2  ARG  75           HG2      ARG  75   1.684   6.573  -3.506
  549    HG3  ARG  75           HG3      ARG  75   3.261   5.794  -3.714
  550    HD2  ARG  75           HD2      ARG  75   3.142   4.981  -1.352
  551    HD3  ARG  75           HD3      ARG  75   1.528   5.717  -1.210
  552    HE   ARG  75           HE       ARG  75   1.657   3.953  -3.503
  553   HH11  ARG  75          HH21      ARG  75   1.367   3.719   0.036
  554   HH12  ARG  75          HH22      ARG  75   0.628   2.151  -0.076
  555   HH21  ARG  75          HH11      ARG  75   0.771   2.091  -3.577
  556   HH22  ARG  75          HH12      ARG  75   0.266   1.191  -2.142
  557    H    VAL  76           H        VAL  76   6.108   8.141  -3.274
  558    HA   VAL  76           HA       VAL  76   6.567   7.420  -6.129
  559    HB   VAL  76           HB       VAL  76   8.473   7.481  -3.752
  560   HG11  VAL  76          HG11      VAL  76   9.279   5.802  -5.325
  561   HG12  VAL  76          HG12      VAL  76   9.032   6.905  -6.694
  562   HG13  VAL  76          HG13      VAL  76  10.283   7.240  -5.478
  563   HG21  VAL  76          HG21      VAL  76   7.751   9.745  -4.501
  564   HG22  VAL  76          HG22      VAL  76   9.450   9.445  -4.868
  565   HG23  VAL  76          HG23      VAL  76   8.237   9.327  -6.160
  566    H    ASN  77           H        ASN  77   6.719   5.312  -6.816
  567    HA   ASN  77           HA       ASN  77   6.953   3.109  -4.860
  568    HB2  ASN  77           HB2      ASN  77   4.534   3.681  -4.953
  569    HB3  ASN  77           HB3      ASN  77   4.520   3.320  -6.680
  570   HD21  ASN  77          HD22      ASN  77   2.734   1.902  -5.286
  571   HD22  ASN  77          HD21      ASN  77   3.304   0.262  -5.007
  572    H    ASN  78           H        ASN  78   9.008   3.120  -5.963
  573    HA   ASN  78           HA       ASN  78   9.204   2.152  -8.721
  574    HB2  ASN  78           HB2      ASN  78  11.267   2.539  -6.510
  575    HB3  ASN  78           HB3      ASN  78  11.655   2.043  -8.157
  576   HD21  ASN  78          HD22      ASN  78  12.657   4.416  -6.816
  577   HD22  ASN  78          HD21      ASN  78  12.145   5.759  -7.827
  578    H    SER  79           H        SER  79   7.563   0.300  -7.878
  579    HA   SER  79           HA       SER  79   8.515  -1.783  -6.213
  580    HB2  SER  79           HB2      SER  79   6.607  -3.056  -7.260
  581    HB3  SER  79           HB3      SER  79   6.181  -1.473  -6.595
  582    HG   SER  79           HG       SER  79   5.267  -1.789  -8.699
  583    H    LEU  80           H        LEU  80   8.460  -1.595  -9.790
  584    HA   LEU  80           HA       LEU  80   9.516  -4.214 -10.165
  585    HB2  LEU  80           HB2      LEU  80   9.556  -1.954 -12.179
  586    HB3  LEU  80           HB3      LEU  80   9.629  -3.698 -12.483
  587    HG   LEU  80           HG       LEU  80   7.224  -2.119 -11.491
  588   HD11  LEU  80          HD11      LEU  80   7.786  -3.654 -14.070
  589   HD12  LEU  80          HD12      LEU  80   6.252  -2.884 -13.643
  590   HD13  LEU  80          HD13      LEU  80   7.701  -1.891 -13.891
  591   HD21  LEU  80          HD21      LEU  80   7.213  -4.329 -10.392
  592   HD22  LEU  80          HD22      LEU  80   5.951  -4.235 -11.631
  593   HD23  LEU  80          HD23      LEU  80   7.449  -5.122 -11.971
  594    H    ASP  81           H        ASP  81  11.221  -1.441  -9.226
  595    HA   ASP  81           HA       ASP  81  13.817  -1.882 -10.344
  596    HB2  ASP  81           HB2      ASP  81  12.982   0.057  -8.890
  597    HB3  ASP  81           HB3      ASP  81  13.135  -1.041  -7.502
  598    H    HIS  82           H        HIS  82  11.984  -3.638  -7.953
  599    HA   HIS  82           HA       HIS  82  14.278  -5.268  -7.032
  600    HB2  HIS  82           HB2      HIS  82  12.495  -4.201  -5.559
  601    HB3  HIS  82           HB3      HIS  82  11.338  -5.339  -6.247
  602    HD1  HIS  82           HD1      HIS  82  14.548  -5.358  -4.061
  603    HD2  HIS  82           HD2      HIS  82  11.258  -7.746  -5.147
  604    HE1  HIS  82           HE1      HIS  82  14.612  -7.394  -2.536
  605    H    GLU  83           H        GLU  83  12.264  -5.415  -9.725
  606    HA   GLU  83           HA       GLU  83  11.845  -8.348  -9.728
  607    HB2  GLU  83           HB2      GLU  83  11.056  -6.134 -11.686
  608    HB3  GLU  83           HB3      GLU  83  10.884  -7.846 -12.037
  609    HG2  GLU  83           HG2      GLU  83   9.609  -6.432  -9.665
  610    HG3  GLU  83           HG3      GLU  83   8.800  -6.819 -11.182
  611    H    TYR  84           H        TYR  84  13.270  -6.069 -12.066
  612    HA   TYR  84           HA       TYR  84  15.345  -8.043 -12.858
  613    HB2  TYR  84           HB2      TYR  84  15.301  -6.601 -14.970
  614    HB3  TYR  84           HB3      TYR  84  13.877  -7.549 -14.586
  615    HD1  TYR  84           HD1      TYR  84  15.192  -4.049 -14.134
  616    HD2  TYR  84           HD2      TYR  84  11.758  -6.609 -14.598
  617    HE1  TYR  84           HE1      TYR  84  13.725  -2.059 -14.168
  618    HE2  TYR  84           HE2      TYR  84  10.281  -4.618 -14.640
  619    HH   TYR  84           HH       TYR  84  10.152  -2.360 -14.427
  620    H    GLN  85           H        GLN  85  17.359  -6.888 -13.869
  621    HA   GLN  85           HA       GLN  85  18.705  -5.509 -11.758
  622    HB2  GLN  85           HB2      GLN  85  19.479  -6.026 -14.650
  623    HB3  GLN  85           HB3      GLN  85  20.552  -5.245 -13.499
  624    HG2  GLN  85           HG2      GLN  85  19.345  -8.017 -13.143
  625    HG3  GLN  85           HG3      GLN  85  20.981  -7.699 -13.720
  626   HE21  GLN  85          HE22      GLN  85  19.938  -9.154 -11.213
  627   HE22  GLN  85          HE21      GLN  85  20.767  -8.333  -9.897
  628    HA   PRO  86           HA       PRO  86  17.277  -1.477 -12.306
  629    HB2  PRO  86           HB2      PRO  86  19.288   0.136 -11.331
  630    HB3  PRO  86           HB3      PRO  86  18.256  -0.924 -10.328
  631    HG2  PRO  86           HG2      PRO  86  21.007  -1.538 -11.447
  632    HG3  PRO  86           HG3      PRO  86  20.428  -1.739  -9.758
  633    HD2  PRO  86           HD2      PRO  86  20.475  -3.822 -11.475
  634    HD3  PRO  86           HD3      PRO  86  19.092  -3.614 -10.354
  635    H    ARG  87           H        ARG  87  17.223   0.379 -13.512
  636    HA   ARG  87           HA       ARG  87  18.698   0.162 -16.072
  637    HB2  ARG  87           HB2      ARG  87  16.194   1.754 -15.396
  638    HB3  ARG  87           HB3      ARG  87  16.832   1.448 -17.004
  639    HG2  ARG  87           HG2      ARG  87  15.504  -0.520 -15.104
  640    HG3  ARG  87           HG3      ARG  87  14.937   0.089 -16.654
  641    HD2  ARG  87           HD2      ARG  87  17.040  -1.081 -17.656
  642    HD3  ARG  87           HD3      ARG  87  17.142  -1.904 -16.099
  643    HE   ARG  87           HE       ARG  87  14.586  -1.950 -17.664
  644   HH11  ARG  87          HH21      ARG  87  17.099  -3.876 -16.075
  645   HH12  ARG  87          HH22      ARG  87  16.625  -5.339 -16.894
  646   HH21  ARG  87          HH11      ARG  87  13.940  -3.924 -18.603
  647   HH22  ARG  87          HH12      ARG  87  14.760  -5.381 -18.145
  648    HA   PRO  88           HA       PRO  88  20.619   4.236 -15.466
  649    HB2  PRO  88           HB2      PRO  88  21.122   4.993 -18.046
  650    HB3  PRO  88           HB3      PRO  88  22.032   3.712 -17.192
  651    HG2  PRO  88           HG2      PRO  88  19.739   3.382 -19.127
  652    HG3  PRO  88           HG3      PRO  88  21.288   2.487 -19.082
  653    HD2  PRO  88           HD2      PRO  88  18.937   1.535 -18.027
  654    HD3  PRO  88           HD3      PRO  88  20.533   1.136 -17.327
  655    H    VAL  89           H        VAL  89  19.463   5.941 -14.823
  656    HA   VAL  89           HA       VAL  89  16.733   6.326 -15.347
  657    HB   VAL  89           HB       VAL  89  18.867   8.092 -14.132
  658   HG11  VAL  89          HG11      VAL  89  17.335   9.752 -15.023
  659   HG12  VAL  89          HG12      VAL  89  15.932   8.866 -14.387
  660   HG13  VAL  89          HG13      VAL  89  17.121   9.618 -13.285
  661   HG21  VAL  89          HG21      VAL  89  17.644   7.601 -12.054
  662   HG22  VAL  89          HG22      VAL  89  16.413   6.701 -12.969
  663   HG23  VAL  89          HG23      VAL  89  18.081   6.099 -12.877
  664    H    GLU  90           H        GLU  90  19.477   7.983 -16.919
  665    HA   GLU  90           HA       GLU  90  17.994   9.903 -18.365
  666    HB2  GLU  90           HB2      GLU  90  19.903   9.791 -20.002
  667    HB3  GLU  90           HB3      GLU  90  20.319  10.190 -18.349
  668    HG2  GLU  90           HG2      GLU  90  20.541   7.299 -19.195
  669    HG3  GLU  90           HG3      GLU  90  21.717   8.447 -19.821
  670    H    VAL  91           H        VAL  91  18.493   6.446 -19.067
  671    HA   VAL  91           HA       VAL  91  17.289   6.671 -21.700
  672    HB   VAL  91           HB       VAL  91  17.855   4.128 -20.159
  673   HG11  VAL  91          HG11      VAL  91  16.272   3.717 -21.979
  674   HG12  VAL  91          HG12      VAL  91  17.291   4.632 -23.112
  675   HG13  VAL  91          HG13      VAL  91  17.861   3.096 -22.441
  676   HG21  VAL  91          HG21      VAL  91  19.952   5.394 -20.531
  677   HG22  VAL  91          HG22      VAL  91  19.894   3.990 -21.594
  678   HG23  VAL  91          HG23      VAL  91  19.534   5.608 -22.241
  679    H    ILE  92           H        ILE  92  16.123   5.745 -18.428
  680    HA   ILE  92           HA       ILE  92  13.453   4.952 -19.179
  681    HB   ILE  92           HB       ILE  92  14.234   6.519 -16.669
  682   HG12  ILE  92          HG12      ILE  92  14.405   3.493 -17.020
  683   HG13  ILE  92          HG13      ILE  92  15.776   4.597 -16.902
  684   HG21  ILE  92          HG21      ILE  92  12.296   5.422 -15.660
  685   HG22  ILE  92          HG22      ILE  92  11.785   6.219 -17.134
  686   HG23  ILE  92          HG23      ILE  92  12.022   4.461 -17.132
  687   HD11  ILE  92          HD11      ILE  92  15.555   3.766 -14.724
  688   HD12  ILE  92          HD12      ILE  92  14.837   5.376 -14.651
  689   HD13  ILE  92          HD13      ILE  92  13.789   3.941 -14.723
  690    H    ILE  93           H        ILE  93  14.785   8.172 -18.399
  691    HA   ILE  93           HA       ILE  93  12.370   9.606 -19.007
  692    HB   ILE  93           HB       ILE  93  15.268  10.461 -18.709
  693   HG12  ILE  93          HG12      ILE  93  12.838  10.817 -16.871
  694   HG13  ILE  93          HG13      ILE  93  14.005   9.513 -16.687
  695   HG21  ILE  93          HG21      ILE  93  12.786  12.227 -18.988
  696   HG22  ILE  93          HG22      ILE  93  14.394  12.813 -18.509
  697   HG23  ILE  93          HG23      ILE  93  14.159  12.143 -20.116
  698   HD11  ILE  93          HD11      ILE  93  15.804  11.168 -16.285
  699   HD12  ILE  93          HD12      ILE  93  14.591  12.470 -16.320
  700   HD13  ILE  93          HD13      ILE  93  14.487  11.200 -15.091
  701    H    SER  94           H        SER  94  15.201   8.770 -21.025
  702    HA   SER  94           HA       SER  94  14.345  10.205 -23.326
  703    HB2  SER  94           HB2      SER  94  16.609   9.193 -22.996
  704    HB3  SER  94           HB3      SER  94  15.892   7.591 -23.261
  705    HG   SER  94           HG       SER  94  16.824   8.550 -25.202
  706    H    SER  95           H        SER  95  13.647   6.845 -22.321
  707    HA   SER  95           HA       SER  95  11.826   6.146 -24.382
  708    HB2  SER  95           HB2      SER  95  11.976   5.345 -21.456
  709    HB3  SER  95           HB3      SER  95  10.927   4.553 -22.650
  710    HG   SER  95           HG       SER  95  13.090   4.311 -23.855
  711    H    ALA  96           H        ALA  96  11.158   7.824 -21.212
  712    HA   ALA  96           HA       ALA  96   8.371   8.087 -21.585
  713    HB1  ALA  96           HB1      ALA  96   8.551   9.727 -19.810
  714    HB2  ALA  96           HB2      ALA  96   9.766   8.483 -19.492
  715    HB3  ALA  96           HB3      ALA  96  10.257  10.038 -20.187
  716    H    LYS  97           H        LYS  97  11.006  10.363 -22.502
  717    HA   LYS  97           HA       LYS  97   9.348  12.320 -23.749
  718    HB2  LYS  97           HB2      LYS  97  12.276  11.558 -24.043
  719    HB3  LYS  97           HB3      LYS  97  11.564  12.934 -24.896
  720    HG2  LYS  97           HG2      LYS  97  10.994  14.052 -22.835
  721    HG3  LYS  97           HG3      LYS  97  11.454  12.646 -21.858
  722    HD2  LYS  97           HD2      LYS  97  13.771  12.836 -22.534
  723    HD3  LYS  97           HD3      LYS  97  13.385  14.136 -23.683
  724    HE2  LYS  97           HE2      LYS  97  12.589  15.560 -21.774
  725    HE3  LYS  97           HE3      LYS  97  13.078  14.296 -20.639
  726    HZ1  LYS  97           HZ1      LYS  97  14.807  16.003 -20.871
  727    HZ2  LYS  97           HZ2      LYS  97  15.392  14.591 -21.455
  728    HZ3  LYS  97           HZ3      LYS  97  14.905  15.767 -22.484
  729    H    GLU  98           H        GLU  98  10.994   9.496 -25.179
  730    HA   GLU  98           HA       GLU  98  10.097   9.965 -27.845
  731    HB2  GLU  98           HB2      GLU  98  11.031   7.473 -26.398
  732    HB3  GLU  98           HB3      GLU  98  10.533   7.435 -28.084
  733    HG2  GLU  98           HG2      GLU  98  12.746   9.247 -27.025
  734    HG3  GLU  98           HG3      GLU  98  13.006   7.665 -27.747
  735    H    MET  99           H        MET  99   8.559   8.251 -25.122
  736    HA   MET  99           HA       MET  99   6.335   7.346 -26.686
  737    HB2  MET  99           HB2      MET  99   6.761   7.575 -23.703
  738    HB3  MET  99           HB3      MET  99   5.286   6.935 -24.462
  739    HG2  MET  99           HG2      MET  99   8.040   5.845 -25.139
  740    HG3  MET  99           HG3      MET  99   7.110   5.220 -23.800
  741    HE1  MET  99           HE1      MET  99   4.195   4.802 -24.555
  742    HE2  MET  99           HE2      MET  99   4.314   3.186 -25.286
  743    HE3  MET  99           HE3      MET  99   5.312   3.588 -23.870
  744    H    VAL 100           H        VAL 100   6.753  10.303 -24.678
  745    HA   VAL 100           HA       VAL 100   4.208  11.417 -24.931
  746    HB   VAL 100           HB       VAL 100   6.850  12.871 -25.210
  747   HG11  VAL 100          HG11      VAL 100   5.578  14.958 -24.682
  748   HG12  VAL 100          HG12      VAL 100   5.167  14.320 -26.273
  749   HG13  VAL 100          HG13      VAL 100   4.060  14.070 -24.904
  750   HG21  VAL 100          HG21      VAL 100   6.331  11.796 -23.009
  751   HG22  VAL 100          HG22      VAL 100   6.412  13.560 -22.913
  752   HG23  VAL 100          HG23      VAL 100   4.835  12.744 -22.929
  753    H    GLY 101           H        GLY 101   2.863  11.960 -26.415
  754    HA2  GLY 101           HA2      GLY 101   2.104  12.822 -28.495
  755    HA3  GLY 101           HA3      GLY 101   3.651  12.384 -29.263
  756    H    GLN 102           H        GLN 102   3.255   9.602 -27.733
  757    HA   GLN 102           HA       GLN 102   1.741   8.351 -29.872
  758    HB2  GLN 102           HB2      GLN 102   3.274   7.081 -27.571
  759    HB3  GLN 102           HB3      GLN 102   2.569   6.248 -28.955
  760    HG2  GLN 102           HG2      GLN 102   4.051   7.616 -30.486
  761    HG3  GLN 102           HG3      GLN 102   4.839   8.288 -29.062
  762   HE21  GLN 102          HE22      GLN 102   6.891   7.337 -28.919
  763   HE22  GLN 102          HE21      GLN 102   7.153   5.609 -29.140
  764    H    LYS 103           H        LYS 103   0.240   6.511 -29.214
  765    HA   LYS 103           HA       LYS 103  -1.625   7.468 -27.091
  766    HB2  LYS 103           HB2      LYS 103  -2.214   6.766 -29.996
  767    HB3  LYS 103           HB3      LYS 103  -3.465   6.980 -28.764
  768    HG2  LYS 103           HG2      LYS 103  -2.768   9.297 -28.374
  769    HG3  LYS 103           HG3      LYS 103  -1.451   9.129 -29.550
  770    HD2  LYS 103           HD2      LYS 103  -3.111   8.699 -31.345
  771    HD3  LYS 103           HD3      LYS 103  -4.431   8.913 -30.168
  772    HE2  LYS 103           HE2      LYS 103  -3.649  11.219 -29.697
  773    HE3  LYS 103           HE3      LYS 103  -2.286  11.001 -30.803
  774    HZ1  LYS 103           HZ1      LYS 103  -4.107  12.195 -31.872
  775    HZ2  LYS 103           HZ2      LYS 103  -3.881  10.767 -32.634
  776    HZ3  LYS 103           HZ3      LYS 103  -5.151  10.963 -31.622
  777    H    MET 104           H        MET 104  -3.252   6.036 -26.365
  778    HA   MET 104           HA       MET 104  -2.871   3.100 -26.693
  779    HB2  MET 104           HB2      MET 104  -2.690   4.540 -24.000
  780    HB3  MET 104           HB3      MET 104  -2.748   2.794 -24.226
  781    HG2  MET 104           HG2      MET 104  -0.654   2.965 -25.623
  782    HG3  MET 104           HG3      MET 104  -0.517   4.650 -25.100
  783    HE1  MET 104           HE1      MET 104   1.945   4.037 -24.282
  784    HE2  MET 104           HE2      MET 104   2.293   2.607 -23.273
  785    HE3  MET 104           HE3      MET 104   1.609   2.394 -24.892
  786    H    LYS 105           H        LYS 105  -4.497   1.942 -25.132
  787    HA   LYS 105           HA       LYS 105  -7.127   2.602 -26.035
  788    HB2  LYS 105           HB2      LYS 105  -6.112   0.633 -23.931
  789    HB3  LYS 105           HB3      LYS 105  -7.785   0.690 -24.491
  790    HG2  LYS 105           HG2      LYS 105  -7.030   0.266 -26.825
  791    HG3  LYS 105           HG3      LYS 105  -5.357   0.138 -26.257
  792    HD2  LYS 105           HD2      LYS 105  -5.995  -1.771 -24.797
  793    HD3  LYS 105           HD3      LYS 105  -7.671  -1.646 -25.376
  794    HE2  LYS 105           HE2      LYS 105  -6.887  -2.048 -27.713
  795    HE3  LYS 105           HE3      LYS 105  -5.222  -2.179 -27.132
  796    HZ1  LYS 105           HZ1      LYS 105  -6.243  -4.365 -27.412
  797    HZ2  LYS 105           HZ2      LYS 105  -5.890  -4.135 -25.834
  798    HZ3  LYS 105           HZ3      LYS 105  -7.438  -4.011 -26.358
  799    H    TYR 106           H        TYR 106  -9.060   2.768 -24.733
  800    HA   TYR 106           HA       TYR 106  -9.057   5.194 -23.240
  801    HB2  TYR 106           HB2      TYR 106 -10.802   4.369 -24.832
  802    HB3  TYR 106           HB3      TYR 106 -11.232   3.111 -23.705
  803    HD1  TYR 106           HD2      TYR 106 -10.690   6.855 -23.491
  804    HD2  TYR 106           HD1      TYR 106 -13.319   3.521 -22.713
  805    HE1  TYR 106           HE2      TYR 106 -12.311   8.391 -22.414
  806    HE2  TYR 106           HE1      TYR 106 -14.937   5.059 -21.622
  807    HH   TYR 106           HH       TYR 106 -14.301   8.571 -21.263
  808    H    SER 107           H        SER 107 -10.267   5.519 -21.126
  809    HA   SER 107           HA       SER 107  -8.886   4.314 -18.962
  810    HB2  SER 107           HB2      SER 107 -10.609   5.541 -17.587
  811    HB3  SER 107           HB3      SER 107  -9.748   6.529 -18.774
  812    HG   SER 107           HG       SER 107 -12.074   6.872 -18.778
  813    H    ILE 108           H        ILE 108 -11.802   3.161 -20.531
  814    HA   ILE 108           HA       ILE 108 -12.806   1.417 -18.549
  815    HB   ILE 108           HB       ILE 108 -13.777   1.835 -20.816
  816   HG12  ILE 108          HG12      ILE 108 -13.527  -1.114 -20.116
  817   HG13  ILE 108          HG13      ILE 108 -14.564   0.044 -19.278
  818   HG21  ILE 108          HG21      ILE 108 -11.885  -0.327 -21.840
  819   HG22  ILE 108          HG22      ILE 108 -13.060   0.619 -22.770
  820   HG23  ILE 108          HG23      ILE 108 -11.623   1.405 -22.120
  821   HD11  ILE 108          HD11      ILE 108 -15.900  -1.198 -20.860
  822   HD12  ILE 108          HD12      ILE 108 -15.775   0.481 -21.431
  823   HD13  ILE 108          HD13      ILE 108 -14.805  -0.802 -22.194
  824    H    VAL 109           H        VAL 109  -9.801   1.166 -20.313
  825    HA   VAL 109           HA       VAL 109  -9.092  -1.448 -19.052
  826    HB   VAL 109           HB       VAL 109  -7.447   0.346 -20.899
  827   HG11  VAL 109          HG11      VAL 109  -6.021  -1.012 -19.373
  828   HG12  VAL 109          HG12      VAL 109  -6.903  -2.475 -19.849
  829   HG13  VAL 109          HG13      VAL 109  -5.915  -1.599 -21.037
  830   HG21  VAL 109          HG21      VAL 109  -9.309  -0.659 -22.134
  831   HG22  VAL 109          HG22      VAL 109  -7.790  -1.435 -22.586
  832   HG23  VAL 109          HG23      VAL 109  -8.907  -2.262 -21.479
  833    H    SER 110           H        SER 110  -9.224  -0.779 -16.883
  834    HA   SER 110           HA       SER 110  -8.577   1.744 -15.874
  835    HB2  SER 110           HB2      SER 110  -8.640   0.645 -13.653
  836    HB3  SER 110           HB3      SER 110  -9.998   0.201 -14.700
  837    HG   SER 110           HG       SER 110  -9.094  -1.657 -13.653
  838    H    ARG 111           H        ARG 111  -6.374  -1.016 -16.201
  839    HA   ARG 111           HA       ARG 111  -4.201   0.334 -14.764
  840    HB2  ARG 111           HB2      ARG 111  -4.414  -2.331 -16.203
  841    HB3  ARG 111           HB3      ARG 111  -2.911  -1.725 -15.490
  842    HG2  ARG 111           HG2      ARG 111  -3.942  -1.537 -13.294
  843    HG3  ARG 111           HG3      ARG 111  -5.485  -2.134 -13.912
  844    HD2  ARG 111           HD2      ARG 111  -2.898  -3.726 -14.156
  845    HD3  ARG 111           HD3      ARG 111  -3.910  -3.793 -12.716
  846    HE   ARG 111           HE       ARG 111  -5.798  -4.528 -14.150
  847   HH11  ARG 111          HH21      ARG 111  -2.576  -5.137 -15.507
  848   HH12  ARG 111          HH22      ARG 111  -3.026  -6.719 -16.067
  849   HH21  ARG 111          HH11      ARG 111  -6.348  -6.481 -15.075
  850   HH22  ARG 111          HH12      ARG 111  -5.157  -7.410 -15.933
  851    H    ASN 112           H        ASN 112  -5.312   1.078 -17.789
  852    HA   ASN 112           HA       ASN 112  -3.116   0.811 -19.498
  853    HB2  ASN 112           HB2      ASN 112  -4.073   2.529 -20.870
  854    HB3  ASN 112           HB3      ASN 112  -5.347   1.499 -20.254
  855   HD21  ASN 112          HD22      ASN 112  -5.863   4.092 -21.355
  856   HD22  ASN 112          HD21      ASN 112  -6.329   5.158 -20.037
  857    H    CYS 113           H        CYS 113  -3.638   3.611 -17.257
  858    HA   CYS 113           HA       CYS 113  -1.175   4.899 -17.951
  859    HB2  CYS 113           HB2      CYS 113  -2.893   5.094 -15.427
  860    HB3  CYS 113           HB3      CYS 113  -1.590   6.223 -15.879
  861    HG   CYS 113           HG       CYS 113  -3.883   7.375 -16.439
  862    H    GLU 114           H        GLU 114  -1.797   2.387 -15.468
  863    HA   GLU 114           HA       GLU 114   0.848   2.436 -14.314
  864    HB2  GLU 114           HB2      GLU 114  -1.102   1.283 -13.258
  865    HB3  GLU 114           HB3      GLU 114  -1.073   0.080 -14.544
  866    HG2  GLU 114           HG2      GLU 114   1.232  -0.566 -13.889
  867    HG3  GLU 114           HG3      GLU 114   1.230   0.685 -12.643
  868    H    HIS 115           H        HIS 115  -0.619   0.265 -16.793
  869    HA   HIS 115           HA       HIS 115   1.720  -1.101 -17.586
  870    HB2  HIS 115           HB2      HIS 115  -0.724  -0.283 -19.226
  871    HB3  HIS 115           HB3      HIS 115   0.461  -1.486 -19.716
  872    HD1  HIS 115           HD1      HIS 115  -2.310  -2.596 -19.648
  873    HD2  HIS 115           HD2      HIS 115   0.193  -2.471 -16.272
  874    HE1  HIS 115           HE1      HIS 115  -3.159  -4.388 -18.065
  875    H    PHE 116           H        PHE 116   0.538   2.093 -18.721
  876    HA   PHE 116           HA       PHE 116   2.551   2.514 -20.681
  877    HB2  PHE 116           HB2      PHE 116   0.704   4.021 -20.642
  878    HB3  PHE 116           HB3      PHE 116   0.929   4.399 -18.941
  879    HD1  PHE 116           HD2      PHE 116   2.978   4.420 -22.082
  880    HD2  PHE 116           HD1      PHE 116   1.955   6.465 -18.439
  881    HE1  PHE 116           HE2      PHE 116   4.697   6.120 -22.559
  882    HE2  PHE 116           HE1      PHE 116   3.724   8.167 -18.917
  883    HZ   PHE 116           HZ       PHE 116   5.080   7.997 -20.981
  884    H    VAL 117           H        VAL 117   2.574   3.522 -17.171
  885    HA   VAL 117           HA       VAL 117   5.219   4.618 -17.542
  886    HB   VAL 117           HB       VAL 117   5.355   5.012 -15.161
  887   HG11  VAL 117          HG11      VAL 117   4.244   6.665 -16.549
  888   HG12  VAL 117          HG12      VAL 117   2.682   5.827 -16.345
  889   HG13  VAL 117          HG13      VAL 117   3.481   6.558 -14.958
  890   HG21  VAL 117          HG21      VAL 117   3.644   4.500 -13.584
  891   HG22  VAL 117          HG22      VAL 117   2.601   3.782 -14.820
  892   HG23  VAL 117          HG23      VAL 117   4.102   2.973 -14.328
  893    H    THR 118           H        THR 118   4.198   1.390 -16.366
  894    HA   THR 118           HA       THR 118   6.738   0.662 -15.206
  895    HB   THR 118           HB       THR 118   5.895  -1.677 -15.556
  896    HG1  THR 118           HG1      THR 118   3.843  -1.916 -16.441
  897   HG21  THR 118          HG21      THR 118   3.984  -1.484 -14.002
  898   HG22  THR 118          HG22      THR 118   5.298  -0.404 -13.503
  899   HG23  THR 118          HG23      THR 118   3.870   0.255 -14.325
  900    H    GLN 119           H        GLN 119   5.400   0.225 -18.455
  901    HA   GLN 119           HA       GLN 119   7.546  -1.238 -19.568
  902    HB2  GLN 119           HB2      GLN 119   5.458   0.601 -20.784
  903    HB3  GLN 119           HB3      GLN 119   6.643  -0.260 -21.774
  904    HG2  GLN 119           HG2      GLN 119   5.865  -2.427 -20.955
  905    HG3  GLN 119           HG3      GLN 119   4.754  -1.659 -19.830
  906   HE21  GLN 119          HE22      GLN 119   3.266  -3.246 -21.107
  907   HE22  GLN 119          HE21      GLN 119   2.523  -2.578 -22.548
  908    H    LEU 120           H        LEU 120   7.408   2.222 -18.891
  909    HA   LEU 120           HA       LEU 120   9.564   3.012 -20.635
  910    HB2  LEU 120           HB2      LEU 120   8.775   4.214 -17.942
  911    HB3  LEU 120           HB3      LEU 120   9.720   5.000 -19.198
  912    HG   LEU 120           HG       LEU 120   6.796   4.187 -19.421
  913   HD11  LEU 120          HD11      LEU 120   8.076   6.922 -19.144
  914   HD12  LEU 120          HD12      LEU 120   6.342   6.581 -19.308
  915   HD13  LEU 120          HD13      LEU 120   7.204   6.034 -17.870
  916   HD21  LEU 120          HD21      LEU 120   7.782   4.100 -21.651
  917   HD22  LEU 120          HD22      LEU 120   6.829   5.576 -21.510
  918   HD23  LEU 120          HD23      LEU 120   8.600   5.658 -21.389
  919    H    ARG 121           H        ARG 121   9.576   1.493 -17.458
  920    HA   ARG 121           HA       ARG 121  12.552   1.640 -17.302
  921    HB2  ARG 121           HB2      ARG 121  11.124   2.266 -15.329
  922    HB3  ARG 121           HB3      ARG 121  10.565   0.589 -15.245
  923    HG2  ARG 121           HG2      ARG 121  12.951  -0.131 -14.970
  924    HG3  ARG 121           HG3      ARG 121  13.468   1.548 -14.986
  925    HD2  ARG 121           HD2      ARG 121  11.491   0.441 -12.942
  926    HD3  ARG 121           HD3      ARG 121  13.232   0.395 -12.718
  927    HE   ARG 121           HE       ARG 121  11.714   2.964 -13.143
  928   HH11  ARG 121          HH21      ARG 121  14.119   1.188 -11.192
  929   HH12  ARG 121          HH22      ARG 121  14.527   2.598 -10.285
  930   HH21  ARG 121          HH11      ARG 121  12.372   4.764 -11.940
  931   HH22  ARG 121          HH12      ARG 121  13.529   4.549 -10.661
  932    H    TYR 122           H        TYR 122   9.908  -0.833 -17.240
  933    HA   TYR 122           HA       TYR 122  11.629  -3.104 -17.265
  934    HB2  TYR 122           HB2      TYR 122   9.318  -3.267 -16.614
  935    HB3  TYR 122           HB3      TYR 122   8.765  -2.651 -18.159
  936    HD1  TYR 122           HD1      TYR 122  11.086  -5.458 -17.104
  937    HD2  TYR 122           HD2      TYR 122   7.658  -4.249 -19.433
  938    HE1  TYR 122           HE1      TYR 122  10.865  -7.770 -17.974
  939    HE2  TYR 122           HE2      TYR 122   7.444  -6.559 -20.315
  940    HH   TYR 122           HH       TYR 122   8.302  -8.708 -20.303
  941    H    GLY 123           H        GLY 123  10.097  -1.387 -19.992
  942    HA2  GLY 123           HA2      GLY 123  11.729  -2.888 -22.006
  943    HA3  GLY 123           HA3      GLY 123  10.159  -2.104 -22.296
  944    H    LYS 124           H        LYS 124  12.898  -0.696 -20.491
  945    HA   LYS 124           HA       LYS 124  12.900   1.790 -21.808
  946    HB2  LYS 124           HB2      LYS 124  14.968   2.215 -20.677
  947    HB3  LYS 124           HB3      LYS 124  13.944   1.273 -19.623
  948    HG2  LYS 124           HG2      LYS 124  15.956   0.210 -19.292
  949    HG3  LYS 124           HG3      LYS 124  15.263  -0.806 -20.545
  950    HD2  LYS 124           HD2      LYS 124  16.640   1.111 -22.030
  951    HD3  LYS 124           HD3      LYS 124  17.648   0.988 -20.593
  952    HE2  LYS 124           HE2      LYS 124  17.933  -1.425 -20.942
  953    HE3  LYS 124           HE3      LYS 124  16.697  -1.428 -22.210
  954    HZ1  LYS 124           HZ1      LYS 124  18.865  -1.407 -23.229
  955    HZ2  LYS 124           HZ2      LYS 124  18.130   0.033 -23.542
  956    HZ3  LYS 124           HZ3      LYS 124  19.331  -0.065 -22.420
  957    H    SER 125           H        SER 125  14.255   2.760 -23.359
  958    HA   SER 125           HA       SER 125  14.284   1.546 -25.816
  959    HB2  SER 125           HB2      SER 125  16.094   3.819 -24.944
  960    HB3  SER 125           HB3      SER 125  15.673   3.390 -26.613
  961    HG   SER 125           HG       SER 125  14.227   4.980 -25.960
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   7.462   9.021   9.046
    2    H2   MET   1           H2       MET   1   7.414   8.173  10.452
    3    H3   MET   1           H3       MET   1   7.407   7.389   9.020
    4    HA   MET   1           HA       MET   1   5.190   7.362   9.990
    5    HB2  MET   1           HB2      MET   1   5.400  10.406   9.769
    6    HB3  MET   1           HB3      MET   1   3.908   9.523  10.064
    7    HG2  MET   1           HG2      MET   1   6.313   9.593  11.915
    8    HG3  MET   1           HG3      MET   1   4.778  10.416  12.129
    9    HE1  MET   1           HE1      MET   1   6.111   8.667  14.413
   10    HE2  MET   1           HE2      MET   1   4.559   9.524  14.573
   11    HE3  MET   1           HE3      MET   1   4.685   7.807  15.026
   12    H    ALA   2           H        ALA   2   3.292   7.335   8.635
   13    HA   ALA   2           HA       ALA   2   3.970   7.343   5.761
   14    HB1  ALA   2           HB1      ALA   2   1.921   5.996   5.601
   15    HB2  ALA   2           HB2      ALA   2   2.972   5.381   6.890
   16    HB3  ALA   2           HB3      ALA   2   1.526   6.339   7.293
   17    H    SER   3           H        SER   3   2.391   9.607   7.835
   18    HA   SER   3           HA       SER   3   0.293  10.500   6.150
   19    HB2  SER   3           HB2      SER   3   0.472  12.570   7.663
   20    HB3  SER   3           HB3      SER   3   0.052  11.005   8.371
   21    HG   SER   3           HG       SER   3   1.658  12.129   9.611
   22    HA   PRO   4           HA       PRO   4   3.027  13.800   4.156
   23    HB2  PRO   4           HB2      PRO   4   5.727  13.826   4.260
   24    HB3  PRO   4           HB3      PRO   4   4.734  14.457   5.610
   25    HG2  PRO   4           HG2      PRO   4   5.990  11.702   5.358
   26    HG3  PRO   4           HG3      PRO   4   6.096  12.842   6.742
   27    HD2  PRO   4           HD2      PRO   4   4.283  10.814   6.644
   28    HD3  PRO   4           HD3      PRO   4   3.907  12.389   7.412
   29    H    HIS   5           H        HIS   5   4.214  13.863   2.075
   30    HA   HIS   5           HA       HIS   5   4.407  11.218   0.746
   31    HB2  HIS   5           HB2      HIS   5   4.401  12.472  -1.341
   32    HB3  HIS   5           HB3      HIS   5   3.061  12.996  -0.336
   33    HD1  HIS   5           HD1      HIS   5   6.473  14.277  -1.617
   34    HD2  HIS   5           HD2      HIS   5   3.016  15.555   0.424
   35    HE1  HIS   5           HE1      HIS   5   6.629  16.812  -1.459
   36    H    GLN   6           H        GLN   6   6.280  10.849  -0.778
   37    HA   GLN   6           HA       GLN   6   8.859  11.517   0.495
   38    HB2  GLN   6           HB2      GLN   6   8.337  10.052  -2.131
   39    HB3  GLN   6           HB3      GLN   6   9.832  10.117  -1.221
   40    HG2  GLN   6           HG2      GLN   6   9.090   8.033  -0.646
   41    HG3  GLN   6           HG3      GLN   6   8.490   8.970   0.716
   42   HE21  GLN   6          HE22      GLN   6   7.256   6.643   0.542
   43   HE22  GLN   6          HE21      GLN   6   5.722   6.731  -0.292
   44    H    GLU   7           H        GLU   7  10.622  12.571  -0.709
   45    HA   GLU   7           HA       GLU   7   9.709  14.691  -2.567
   46    HB2  GLU   7           HB2      GLU   7  12.393  14.127  -1.269
   47    HB3  GLU   7           HB3      GLU   7  12.122  15.375  -2.490
   48    HG2  GLU   7           HG2      GLU   7  10.388  16.424  -1.064
   49    HG3  GLU   7           HG3      GLU   7  10.678  15.207   0.189
   50    HA   PRO   8           HA       PRO   8  10.732  11.661  -5.732
   51    HB2  PRO   8           HB2      PRO   8   9.717  12.872  -7.934
   52    HB3  PRO   8           HB3      PRO   8   8.676  12.245  -6.619
   53    HG2  PRO   8           HG2      PRO   8   9.636  15.098  -7.011
   54    HG3  PRO   8           HG3      PRO   8   7.966  14.528  -6.713
   55    HD2  PRO   8           HD2      PRO   8   9.576  15.436  -4.700
   56    HD3  PRO   8           HD3      PRO   8   8.413  14.095  -4.453
   57    H    LYS   9           H        LYS   9  12.296  11.240  -7.192
   58    HA   LYS   9           HA       LYS   9  14.028  13.419  -8.236
   59    HB2  LYS   9           HB2      LYS   9  14.777  10.764  -6.926
   60    HB3  LYS   9           HB3      LYS   9  15.923  11.646  -7.914
   61    HG2  LYS   9           HG2      LYS   9  14.595  12.760  -5.410
   62    HG3  LYS   9           HG3      LYS   9  16.207  12.042  -5.491
   63    HD2  LYS   9           HD2      LYS   9  16.886  13.830  -7.152
   64    HD3  LYS   9           HD3      LYS   9  15.300  14.561  -6.970
   65    HE2  LYS   9           HE2      LYS   9  16.740  15.818  -5.573
   66    HE3  LYS   9           HE3      LYS   9  15.711  14.862  -4.513
   67    HZ1  LYS   9           HZ1      LYS   9  18.525  14.182  -5.240
   68    HZ2  LYS   9           HZ2      LYS   9  18.049  14.829  -3.823
   69    HZ3  LYS   9           HZ3      LYS   9  17.588  13.312  -4.210
   70    HA   PRO  10           HA       PRO  10  13.774  12.070 -12.336
   71    HB2  PRO  10           HB2      PRO  10  16.756  11.528 -12.236
   72    HB3  PRO  10           HB3      PRO  10  15.807  12.313 -13.539
   73    HG2  PRO  10           HG2      PRO  10  17.123  13.857 -11.780
   74    HG3  PRO  10           HG3      PRO  10  15.427  14.260 -12.195
   75    HD2  PRO  10           HD2      PRO  10  16.491  12.821  -9.764
   76    HD3  PRO  10           HD3      PRO  10  15.231  14.091  -9.864
   77    H    GLY  11           H        GLY  11  12.954  10.242 -13.158
   78    HA2  GLY  11           HA2      GLY  11  12.983   8.022 -13.931
   79    HA3  GLY  11           HA3      GLY  11  14.305   7.622 -12.804
   80    H    ASP  12           H        ASP  12  12.280   9.146 -10.738
   81    HA   ASP  12           HA       ASP  12  11.293   6.757  -9.589
   82    HB2  ASP  12           HB2      ASP  12  10.639   9.681  -9.108
   83    HB3  ASP  12           HB3      ASP  12   9.847   8.393  -8.234
   84    H    LEU  13           H        LEU  13   9.361   5.854  -9.370
   85    HA   LEU  13           HA       LEU  13   7.219   6.447 -11.362
   86    HB2  LEU  13           HB2      LEU  13   7.791   4.084  -9.514
   87    HB3  LEU  13           HB3      LEU  13   6.363   4.193 -10.542
   88    HG   LEU  13           HG       LEU  13   9.214   4.254 -11.649
   89   HD11  LEU  13          HD11      LEU  13   8.904   1.901 -12.226
   90   HD12  LEU  13          HD12      LEU  13   8.825   2.120 -10.476
   91   HD13  LEU  13          HD13      LEU  13   7.325   1.879 -11.404
   92   HD21  LEU  13          HD21      LEU  13   7.410   5.203 -13.128
   93   HD22  LEU  13          HD22      LEU  13   8.100   3.705 -13.782
   94   HD23  LEU  13          HD23      LEU  13   6.521   3.679 -12.965
   95    H    ILE  14           H        ILE  14   5.456   7.488 -10.725
   96    HA   ILE  14           HA       ILE  14   4.957   7.826  -7.772
   97    HB   ILE  14           HB       ILE  14   4.412   9.780 -10.057
   98   HG12  ILE  14          HG12      ILE  14   6.445   9.776  -7.784
   99   HG13  ILE  14          HG13      ILE  14   6.799   9.699  -9.510
  100   HG21  ILE  14          HG21      ILE  14   3.952  10.109  -7.053
  101   HG22  ILE  14          HG22      ILE  14   3.592  11.307  -8.315
  102   HG23  ILE  14          HG23      ILE  14   2.665   9.823  -8.245
  103   HD11  ILE  14          HD11      ILE  14   5.890  12.002  -9.783
  104   HD12  ILE  14          HD12      ILE  14   5.690  12.104  -8.010
  105   HD13  ILE  14          HD13      ILE  14   7.299  11.908  -8.706
  106    H    GLU  15           H        GLU  15   3.028   7.252  -7.052
  107    HA   GLU  15           HA       GLU  15   0.891   6.400  -8.956
  108    HB2  GLU  15           HB2      GLU  15   0.009   5.100  -7.003
  109    HB3  GLU  15           HB3      GLU  15   1.518   4.524  -7.710
  110    HG2  GLU  15           HG2      GLU  15   2.804   5.533  -5.844
  111    HG3  GLU  15           HG3      GLU  15   1.292   6.115  -5.132
  112    H    ILE  16           H        ILE  16  -0.987   7.457  -8.867
  113    HA   ILE  16           HA       ILE  16  -1.343   9.691  -6.905
  114    HB   ILE  16           HB       ILE  16  -1.833   9.733  -9.901
  115   HG12  ILE  16          HG12      ILE  16   0.323  11.150  -8.286
  116   HG13  ILE  16          HG13      ILE  16   0.571   9.803  -9.397
  117   HG21  ILE  16          HG21      ILE  16  -3.470  11.094  -8.573
  118   HG22  ILE  16          HG22      ILE  16  -2.114  11.955  -7.816
  119   HG23  ILE  16          HG23      ILE  16  -2.433  12.109  -9.559
  120   HD11  ILE  16          HD11      ILE  16  -0.254  11.223 -11.282
  121   HD12  ILE  16          HD12      ILE  16  -0.292  12.606 -10.158
  122   HD13  ILE  16          HD13      ILE  16   1.241  11.794 -10.513
  123    H    PHE  17           H        PHE  17  -3.132   9.552  -5.853
  124    HA   PHE  17           HA       PHE  17  -5.008   7.395  -6.434
  125    HB2  PHE  17           HB2      PHE  17  -4.903   9.198  -4.004
  126    HB3  PHE  17           HB3      PHE  17  -5.595   7.585  -4.123
  127    HD1  PHE  17           HD1      PHE  17  -3.320   6.102  -5.494
  128    HD2  PHE  17           HD2      PHE  17  -3.301   8.998  -2.300
  129    HE1  PHE  17           HE1      PHE  17  -1.156   5.218  -4.697
  130    HE2  PHE  17           HE2      PHE  17  -1.132   8.119  -1.512
  131    HZ   PHE  17           HZ       PHE  17  -0.045   6.224  -2.713
  132    H    ARG  18           H        ARG  18  -5.750   8.839  -8.389
  133    HA   ARG  18           HA       ARG  18  -7.825  10.785  -7.789
  134    HB2  ARG  18           HB2      ARG  18  -6.677  10.622 -10.015
  135    HB3  ARG  18           HB3      ARG  18  -7.483   9.078 -10.299
  136    HG2  ARG  18           HG2      ARG  18  -9.675  10.146 -10.301
  137    HG3  ARG  18           HG3      ARG  18  -8.989  11.663  -9.722
  138    HD2  ARG  18           HD2      ARG  18  -9.540  11.872 -12.061
  139    HD3  ARG  18           HD3      ARG  18  -7.794  11.955 -11.852
  140    HE   ARG  18           HE       ARG  18  -7.541  10.085 -13.142
  141   HH11  ARG  18          HH11      ARG  18 -10.964   9.992 -12.194
  142   HH12  ARG  18          HH12      ARG  18 -11.341   8.859 -13.456
  143   HH21  ARG  18          HH21      ARG  18  -8.049   8.684 -14.621
  144   HH22  ARG  18          HH22      ARG  18  -9.672   8.065 -14.846
  145    H    LEU  19           H        LEU  19 -10.102  10.472  -7.809
  146    HA   LEU  19           HA       LEU  19 -11.123   8.060  -6.640
  147    HB2  LEU  19           HB2      LEU  19 -12.596  10.357  -7.998
  148    HB3  LEU  19           HB3      LEU  19 -13.350   9.106  -7.013
  149    HG   LEU  19           HG       LEU  19 -11.355  11.178  -6.002
  150   HD11  LEU  19          HD11      LEU  19 -13.564  12.109  -6.585
  151   HD12  LEU  19          HD12      LEU  19 -14.357  10.891  -5.557
  152   HD13  LEU  19          HD13      LEU  19 -13.306  12.131  -4.834
  153   HD21  LEU  19          HD21      LEU  19 -11.134   9.126  -4.665
  154   HD22  LEU  19          HD22      LEU  19 -11.998  10.357  -3.735
  155   HD23  LEU  19          HD23      LEU  19 -12.897   9.025  -4.485
  156    H    GLY  20           H        GLY  20 -12.214   6.339  -7.491
  157    HA2  GLY  20           HA2      GLY  20 -12.960   4.820  -9.141
  158    HA3  GLY  20           HA3      GLY  20 -12.645   6.027 -10.404
  159    H    TYR  21           H        TYR  21 -11.113   5.271 -11.742
  160    HA   TYR  21           HA       TYR  21  -9.067   3.403 -10.976
  161    HB2  TYR  21           HB2      TYR  21  -9.971   3.499 -13.240
  162    HB3  TYR  21           HB3      TYR  21  -9.356   5.142 -13.427
  163    HD1  TYR  21           HD2      TYR  21  -7.932   1.809 -12.306
  164    HD2  TYR  21           HD1      TYR  21  -7.517   5.261 -14.874
  165    HE1  TYR  21           HE2      TYR  21  -5.774   0.923 -13.155
  166    HE2  TYR  21           HE1      TYR  21  -5.381   4.349 -15.744
  167    HH   TYR  21           HH       TYR  21  -3.950   1.305 -14.480
  168    H    GLU  22           H        GLU  22  -6.901   3.691 -10.653
  169    HA   GLU  22           HA       GLU  22  -6.017   6.276  -9.525
  170    HB2  GLU  22           HB2      GLU  22  -4.781   3.502  -9.610
  171    HB3  GLU  22           HB3      GLU  22  -3.956   4.911  -8.935
  172    HG2  GLU  22           HG2      GLU  22  -5.654   5.198  -7.233
  173    HG3  GLU  22           HG3      GLU  22  -6.693   3.981  -7.969
  174    H    HIS  23           H        HIS  23  -3.943   7.224 -10.123
  175    HA   HIS  23           HA       HIS  23  -3.288   6.921 -13.042
  176    HB2  HIS  23           HB2      HIS  23  -3.556   9.313 -11.213
  177    HB3  HIS  23           HB3      HIS  23  -2.356   9.349 -12.503
  178    HD1  HIS  23           HD1      HIS  23  -3.616  11.187 -13.910
  179    HD2  HIS  23           HD2      HIS  23  -5.860   7.739 -13.041
  180    HE1  HIS  23           HE1      HIS  23  -5.705  11.307 -15.349
  181    H    TRP  24           H        TRP  24  -1.083   7.152 -13.636
  182    HA   TRP  24           HA       TRP  24   0.948   7.011 -11.475
  183    HB2  TRP  24           HB2      TRP  24   0.557   5.038 -13.738
  184    HB3  TRP  24           HB3      TRP  24   2.131   5.324 -13.016
  185    HD1  TRP  24           HD1      TRP  24   2.689   4.313 -10.731
  186    HE1  TRP  24           HE1      TRP  24   1.559   2.598  -9.189
  187    HE3  TRP  24           HE3      TRP  24  -1.984   4.268 -12.827
  188    HZ2  TRP  24           HZ2      TRP  24  -1.023   1.345  -8.922
  189    HZ3  TRP  24           HZ3      TRP  24  -3.743   2.776 -11.941
  190    HH2  TRP  24           HH2      TRP  24  -3.280   1.309  -9.993
  191    H    ALA  25           H        ALA  25   3.000   7.739 -12.049
  192    HA   ALA  25           HA       ALA  25   3.359   8.932 -14.743
  193    HB1  ALA  25           HB1      ALA  25   3.742  11.133 -13.915
  194    HB2  ALA  25           HB2      ALA  25   2.185  10.624 -13.251
  195    HB3  ALA  25           HB3      ALA  25   3.632  10.620 -12.214
  196    H    LEU  26           H        LEU  26   5.404   9.270 -15.384
  197    HA   LEU  26           HA       LEU  26   7.655   8.185 -13.756
  198    HB2  LEU  26           HB2      LEU  26   7.028   7.538 -16.224
  199    HB3  LEU  26           HB3      LEU  26   7.662   9.104 -16.673
  200    HG   LEU  26           HG       LEU  26   9.284   7.416 -17.113
  201   HD11  LEU  26          HD11      LEU  26  10.287   8.804 -14.597
  202   HD12  LEU  26          HD12      LEU  26  11.242   8.186 -15.956
  203   HD13  LEU  26          HD13      LEU  26  10.167   9.573 -16.199
  204   HD21  LEU  26          HD21      LEU  26  10.193   5.895 -15.428
  205   HD22  LEU  26          HD22      LEU  26   9.167   6.601 -14.177
  206   HD23  LEU  26          HD23      LEU  26   8.439   5.703 -15.524
  207    H    TYR  27           H        TYR  27   8.705   9.700 -12.528
  208    HA   TYR  27           HA       TYR  27   8.383  12.566 -13.095
  209    HB2  TYR  27           HB2      TYR  27   8.264  11.601 -10.823
  210    HB3  TYR  27           HB3      TYR  27   9.943  11.104 -10.943
  211    HD1  TYR  27           HD2      TYR  27  11.749  12.769 -10.896
  212    HD2  TYR  27           HD1      TYR  27   7.645  13.964 -10.473
  213    HE1  TYR  27           HE2      TYR  27  12.491  14.923  -9.877
  214    HE2  TYR  27           HE1      TYR  27   8.371  16.157  -9.551
  215    HH   TYR  27           HH       TYR  27  11.828  16.917  -8.933
  216    H    ILE  28           H        ILE  28   9.800  13.939 -14.022
  217    HA   ILE  28           HA       ILE  28  12.333  12.692 -15.079
  218    HB   ILE  28           HB       ILE  28  12.054  13.916 -17.084
  219   HG12  ILE  28          HG12      ILE  28   9.464  15.112 -16.035
  220   HG13  ILE  28          HG13      ILE  28  10.998  15.989 -16.124
  221   HG21  ILE  28          HG21      ILE  28  10.244  12.715 -18.037
  222   HG22  ILE  28          HG22      ILE  28  10.765  11.729 -16.682
  223   HG23  ILE  28          HG23      ILE  28   9.301  12.708 -16.535
  224   HD11  ILE  28          HD11      ILE  28   9.420  14.846 -18.461
  225   HD12  ILE  28          HD12      ILE  28   9.680  16.552 -18.064
  226   HD13  ILE  28          HD13      ILE  28  11.049  15.543 -18.596
  227    H    GLY  29           H        GLY  29  11.595  14.890 -12.774
  228    HA2  GLY  29           HA2      GLY  29  13.334  16.113 -11.617
  229    HA3  GLY  29           HA3      GLY  29  14.174  16.379 -13.147
  230    H    ASP  30           H        ASP  30  13.767  18.439 -11.469
  231    HA   ASP  30           HA       ASP  30  13.110  20.581 -11.319
  232    HB2  ASP  30           HB2      ASP  30  13.913  20.382 -13.707
  233    HB3  ASP  30           HB3      ASP  30  12.225  20.318 -14.211
  234    H    GLY  31           H        GLY  31  10.992  18.457 -10.818
  235    HA2  GLY  31           HA2      GLY  31   8.882  18.604  -9.806
  236    HA3  GLY  31           HA3      GLY  31   8.638  20.223 -10.504
  237    H    TYR  32           H        TYR  32   9.657  18.249 -13.031
  238    HA   TYR  32           HA       TYR  32   6.867  18.064 -13.988
  239    HB2  TYR  32           HB2      TYR  32   9.553  18.063 -15.377
  240    HB3  TYR  32           HB3      TYR  32   8.087  17.586 -16.212
  241    HD1  TYR  32           HD2      TYR  32   9.744  20.424 -14.458
  242    HD2  TYR  32           HD1      TYR  32   6.461  19.172 -16.956
  243    HE1  TYR  32           HE2      TYR  32   9.159  22.804 -14.874
  244    HE2  TYR  32           HE1      TYR  32   5.875  21.553 -17.387
  245    HH   TYR  32           HH       TYR  32   7.719  24.275 -15.936
  246    H    VAL  33           H        VAL  33   6.017  16.363 -15.131
  247    HA   VAL  33           HA       VAL  33   7.179  13.646 -14.707
  248    HB   VAL  33           HB       VAL  33   4.863  12.844 -14.226
  249   HG11  VAL  33          HG11      VAL  33   4.816  13.442 -11.842
  250   HG12  VAL  33          HG12      VAL  33   6.409  12.937 -12.397
  251   HG13  VAL  33          HG13      VAL  33   6.071  14.666 -12.141
  252   HG21  VAL  33          HG21      VAL  33   3.139  14.309 -13.387
  253   HG22  VAL  33          HG22      VAL  33   4.185  15.728 -13.553
  254   HG23  VAL  33          HG23      VAL  33   3.610  14.882 -14.999
  255    H    ILE  34           H        ILE  34   6.351  12.041 -16.058
  256    HA   ILE  34           HA       ILE  34   4.737  12.905 -18.441
  257    HB   ILE  34           HB       ILE  34   7.165  11.090 -18.233
  258   HG12  ILE  34          HG12      ILE  34   6.388  13.456 -19.995
  259   HG13  ILE  34          HG13      ILE  34   7.470  13.510 -18.610
  260   HG21  ILE  34          HG21      ILE  34   6.641  10.427 -20.645
  261   HG22  ILE  34          HG22      ILE  34   5.511   9.770 -19.469
  262   HG23  ILE  34          HG23      ILE  34   5.045  11.175 -20.455
  263   HD11  ILE  34          HD11      ILE  34   8.028  12.116 -21.239
  264   HD12  ILE  34          HD12      ILE  34   8.780  13.580 -20.606
  265   HD13  ILE  34          HD13      ILE  34   9.074  12.024 -19.807
  266    H    HIS  35           H        HIS  35   2.975  11.667 -18.963
  267    HA   HIS  35           HA       HIS  35   2.250   9.321 -17.294
  268    HB2  HIS  35           HB2      HIS  35   0.237  10.636 -16.453
  269    HB3  HIS  35           HB3      HIS  35   1.781  11.159 -15.801
  270    HD1  HIS  35           HD1      HIS  35  -1.134  12.552 -17.764
  271    HD2  HIS  35           HD2      HIS  35   2.852  13.516 -16.850
  272    HE1  HIS  35           HE1      HIS  35  -0.818  15.007 -18.373
  273    H    LEU  36           H        LEU  36   0.372   8.198 -18.096
  274    HA   LEU  36           HA       LEU  36  -0.542   8.989 -20.837
  275    HB2  LEU  36           HB2      LEU  36   0.374   6.743 -20.639
  276    HB3  LEU  36           HB3      LEU  36  -0.666   6.379 -19.261
  277    HG   LEU  36           HG       LEU  36  -2.668   6.480 -20.720
  278   HD11  LEU  36          HD11      LEU  36  -2.237   6.405 -23.244
  279   HD12  LEU  36          HD12      LEU  36  -2.031   7.976 -22.474
  280   HD13  LEU  36          HD13      LEU  36  -0.611   7.000 -22.912
  281   HD21  LEU  36          HD21      LEU  36  -2.251   4.392 -21.922
  282   HD22  LEU  36          HD22      LEU  36  -0.503   4.645 -21.814
  283   HD23  LEU  36          HD23      LEU  36  -1.460   4.340 -20.338
  284    H    ALA  37           H        ALA  37  -2.529   9.933 -21.038
  285    HA   ALA  37           HA       ALA  37  -4.224  10.393 -18.697
  286    HB1  ALA  37           HB1      ALA  37  -5.546  11.692 -20.345
  287    HB2  ALA  37           HB2      ALA  37  -3.830  12.133 -20.334
  288    HB3  ALA  37           HB3      ALA  37  -4.481  11.125 -21.643
  289    HA   PRO  38           HA       PRO  38  -6.025   6.415 -19.676
  290    HB2  PRO  38           HB2      PRO  38  -7.745   6.841 -17.247
  291    HB3  PRO  38           HB3      PRO  38  -6.748   5.420 -17.689
  292    HG2  PRO  38           HG2      PRO  38  -5.864   7.136 -15.820
  293    HG3  PRO  38           HG3      PRO  38  -4.732   6.572 -17.098
  294    HD2  PRO  38           HD2      PRO  38  -6.348   9.143 -17.086
  295    HD3  PRO  38           HD3      PRO  38  -4.591   8.943 -17.277
  296    HA   PRO  39           HA       PRO  39  -9.924   7.012 -21.794
  297    HB2  PRO  39           HB2      PRO  39 -10.657   4.306 -20.639
  298    HB3  PRO  39           HB3      PRO  39 -10.851   4.900 -22.314
  299    HG2  PRO  39           HG2      PRO  39  -8.786   3.272 -21.711
  300    HG3  PRO  39           HG3      PRO  39  -8.474   4.735 -22.704
  301    HD2  PRO  39           HD2      PRO  39  -8.048   4.370 -19.722
  302    HD3  PRO  39           HD3      PRO  39  -6.958   5.081 -20.952
  303    H    SER  40           H        SER  40 -10.001   6.368 -18.313
  304    HA   SER  40           HA       SER  40 -12.878   6.760 -18.012
  305    HB2  SER  40           HB2      SER  40 -12.263   6.661 -15.585
  306    HB3  SER  40           HB3      SER  40 -11.737   5.267 -16.544
  307    HG   SER  40           HG       SER  40  -9.909   5.733 -15.522
  308    H    GLU  41           H        GLU  41 -10.367   8.960 -18.588
  309    HA   GLU  41           HA       GLU  41 -11.614  11.210 -17.098
  310    HB2  GLU  41           HB2      GLU  41  -9.303  11.166 -19.085
  311    HB3  GLU  41           HB3      GLU  41  -9.933  12.592 -18.251
  312    HG2  GLU  41           HG2      GLU  41  -9.417  11.412 -16.047
  313    HG3  GLU  41           HG3      GLU  41  -8.530  10.207 -16.989
  314    H    TYR  42           H        TYR  42 -13.003  12.687 -18.055
  315    HA   TYR  42           HA       TYR  42 -14.517  11.925 -20.271
  316    HB2  TYR  42           HB2      TYR  42 -14.161  14.712 -19.116
  317    HB3  TYR  42           HB3      TYR  42 -15.439  14.227 -20.206
  318    HD1  TYR  42           HD2      TYR  42 -17.066  12.366 -19.463
  319    HD2  TYR  42           HD1      TYR  42 -14.406  14.418 -16.760
  320    HE1  TYR  42           HE2      TYR  42 -18.481  11.662 -17.536
  321    HE2  TYR  42           HE1      TYR  42 -15.800  13.694 -14.832
  322    HH   TYR  42           HH       TYR  42 -18.761  11.701 -15.243
  323    HA   PRO  43           HA       PRO  43 -12.049  13.465 -23.738
  324    HB2  PRO  43           HB2      PRO  43 -13.787  13.128 -25.795
  325    HB3  PRO  43           HB3      PRO  43 -13.064  11.733 -24.939
  326    HG2  PRO  43           HG2      PRO  43 -15.767  13.009 -24.480
  327    HG3  PRO  43           HG3      PRO  43 -15.397  11.263 -24.684
  328    HD2  PRO  43           HD2      PRO  43 -15.695  12.458 -22.223
  329    HD3  PRO  43           HD3      PRO  43 -14.570  11.095 -22.491
  330    H    GLY  44           H        GLY  44 -12.059  15.299 -25.240
  331    HA2  GLY  44           HA2      GLY  44 -13.443  17.631 -24.138
  332    HA3  GLY  44           HA3      GLY  44 -12.213  17.604 -25.422
  333    H    ALA  45           H        ALA  45 -14.568  15.441 -26.314
  334    HA   ALA  45           HA       ALA  45 -16.502  17.115 -27.659
  335    HB1  ALA  45           HB1      ALA  45 -14.447  17.736 -28.934
  336    HB2  ALA  45           HB2      ALA  45 -14.142  16.022 -29.276
  337    HB3  ALA  45           HB3      ALA  45 -15.569  16.833 -29.954
  338    H    GLY  46           H        GLY  46 -17.388  15.691 -29.654
  339    HA2  GLY  46           HA2      GLY  46 -17.870  13.582 -30.576
  340    HA3  GLY  46           HA3      GLY  46 -17.374  12.768 -29.083
  341    H    SER  47           H        SER  47 -19.437  15.306 -28.267
  342    HA   SER  47           HA       SER  47 -22.026  14.212 -28.888
  343    HB2  SER  47           HB2      SER  47 -21.199  12.555 -27.187
  344    HB3  SER  47           HB3      SER  47 -21.160  13.866 -26.001
  345    HG   SER  47           HG       SER  47 -23.191  12.420 -26.303
  346    H    SER  48           H        SER  48 -23.500  15.298 -26.748
  347    HA   SER  48           HA       SER  48 -23.597  18.076 -27.527
  348    HB2  SER  48           HB2      SER  48 -25.407  18.183 -25.827
  349    HB3  SER  48           HB3      SER  48 -25.596  16.850 -26.975
  350    HG   SER  48           HG       SER  48 -25.988  16.160 -24.806
  351    H    SER  49           H        SER  49 -21.925  16.500 -24.896
  352    HA   SER  49           HA       SER  49 -20.388  18.831 -24.309
  353    HB2  SER  49           HB2      SER  49 -22.426  19.420 -22.976
  354    HB3  SER  49           HB3      SER  49 -22.218  17.919 -22.052
  355    HG   SER  49           HG       SER  49 -21.249  19.903 -21.117
  356    H    VAL  50           H        VAL  50 -18.900  18.331 -22.358
  357    HA   VAL  50           HA       VAL  50 -17.448  15.967 -23.112
  358    HB   VAL  50           HB       VAL  50 -15.882  16.451 -21.309
  359   HG11  VAL  50          HG11      VAL  50 -16.731  19.072 -22.620
  360   HG12  VAL  50          HG12      VAL  50 -15.110  18.600 -22.079
  361   HG13  VAL  50          HG13      VAL  50 -15.856  17.780 -23.463
  362   HG21  VAL  50          HG21      VAL  50 -16.155  18.402 -19.812
  363   HG22  VAL  50          HG22      VAL  50 -17.835  18.579 -20.344
  364   HG23  VAL  50          HG23      VAL  50 -17.311  17.122 -19.468
  365    H    PHE  51           H        PHE  51 -19.752  16.529 -20.512
  366    HA   PHE  51           HA       PHE  51 -19.181  14.061 -19.090
  367    HB2  PHE  51           HB2      PHE  51 -21.557  15.949 -18.875
  368    HB3  PHE  51           HB3      PHE  51 -21.061  14.747 -17.693
  369    HD1  PHE  51           HD2      PHE  51 -18.565  14.974 -16.787
  370    HD2  PHE  51           HD1      PHE  51 -20.830  18.189 -18.561
  371    HE1  PHE  51           HE2      PHE  51 -17.073  16.626 -15.695
  372    HE2  PHE  51           HE1      PHE  51 -19.345  19.840 -17.454
  373    HZ   PHE  51           HZ       PHE  51 -17.463  19.065 -16.026
  374    H    SER  52           H        SER  52 -21.039  14.749 -21.932
  375    HA   SER  52           HA       SER  52 -23.152  12.810 -21.481
  376    HB2  SER  52           HB2      SER  52 -22.289  14.185 -24.046
  377    HB3  SER  52           HB3      SER  52 -23.831  13.380 -23.744
  378    HG   SER  52           HG       SER  52 -24.087  15.601 -23.455
  379    H    VAL  53           H        VAL  53 -19.945  12.313 -22.267
  380    HA   VAL  53           HA       VAL  53 -20.416   9.535 -23.159
  381    HB   VAL  53           HB       VAL  53 -18.376   9.823 -24.741
  382   HG11  VAL  53          HG11      VAL  53 -21.094  10.860 -25.607
  383   HG12  VAL  53          HG12      VAL  53 -19.819  10.230 -26.672
  384   HG13  VAL  53          HG13      VAL  53 -20.597   9.157 -25.497
  385   HG21  VAL  53          HG21      VAL  53 -19.413  12.679 -24.963
  386   HG22  VAL  53          HG22      VAL  53 -17.911  12.224 -24.146
  387   HG23  VAL  53          HG23      VAL  53 -18.095  11.926 -25.879
  388    H    LEU  54           H        LEU  54 -18.838   8.117 -22.488
  389    HA   LEU  54           HA       LEU  54 -17.031   9.194 -20.360
  390    HB2  LEU  54           HB2      LEU  54 -18.249   6.416 -20.715
  391    HB3  LEU  54           HB3      LEU  54 -17.214   6.930 -19.388
  392    HG   LEU  54           HG       LEU  54 -20.006   7.984 -20.016
  393   HD11  LEU  54          HD11      LEU  54 -18.956   6.258 -17.733
  394   HD12  LEU  54          HD12      LEU  54 -20.624   6.841 -17.919
  395   HD13  LEU  54          HD13      LEU  54 -19.954   5.697 -19.092
  396   HD21  LEU  54          HD21      LEU  54 -19.833   9.159 -17.816
  397   HD22  LEU  54          HD22      LEU  54 -18.111   8.737 -17.749
  398   HD23  LEU  54          HD23      LEU  54 -18.727   9.808 -19.031
  399    H    SER  55           H        SER  55 -16.868   6.154 -22.285
  400    HA   SER  55           HA       SER  55 -14.019   6.098 -22.059
  401    HB2  SER  55           HB2      SER  55 -14.230   4.161 -23.671
  402    HB3  SER  55           HB3      SER  55 -15.165   4.041 -22.171
  403    HG   SER  55           HG       SER  55 -16.406   3.436 -24.045
  404    H    ASN  56           H        ASN  56 -12.378   6.238 -23.581
  405    HA   ASN  56           HA       ASN  56 -12.651   7.177 -26.263
  406    HB2  ASN  56           HB2      ASN  56 -11.712   9.424 -25.975
  407    HB3  ASN  56           HB3      ASN  56 -13.309   9.294 -25.260
  408   HD21  ASN  56          HD22      ASN  56 -13.367   8.991 -22.756
  409   HD22  ASN  56          HD21      ASN  56 -12.095   9.807 -21.882
  410    H    SER  57           H        SER  57 -10.399   7.964 -27.140
  411    HA   SER  57           HA       SER  57  -8.450   5.976 -26.378
  412    HB2  SER  57           HB2      SER  57  -7.019   7.224 -28.073
  413    HB3  SER  57           HB3      SER  57  -8.515   6.477 -28.665
  414    HG   SER  57           HG       SER  57  -8.291   8.621 -29.480
  415    H    ALA  58           H        ALA  58  -6.290   6.302 -25.673
  416    HA   ALA  58           HA       ALA  58  -6.058   8.469 -23.629
  417    HB1  ALA  58           HB1      ALA  58  -4.652   5.781 -23.976
  418    HB2  ALA  58           HB2      ALA  58  -4.416   6.916 -22.626
  419    HB3  ALA  58           HB3      ALA  58  -5.989   6.138 -22.860
  420    H    GLU  59           H        GLU  59  -4.048   9.631 -23.396
  421    HA   GLU  59           HA       GLU  59  -2.213   9.586 -25.753
  422    HB2  GLU  59           HB2      GLU  59  -3.929  11.474 -25.898
  423    HB3  GLU  59           HB3      GLU  59  -3.191  12.142 -24.428
  424    HG2  GLU  59           HG2      GLU  59  -1.006  12.283 -25.620
  425    HG3  GLU  59           HG3      GLU  59  -1.744  11.584 -27.061
  426    H    VAL  60           H        VAL  60  -0.062   9.735 -25.213
  427    HA   VAL  60           HA       VAL  60   0.662   9.902 -22.350
  428    HB   VAL  60           HB       VAL  60   2.506   9.838 -24.736
  429   HG11  VAL  60          HG11      VAL  60   2.961   9.269 -21.768
  430   HG12  VAL  60          HG12      VAL  60   4.195   9.078 -23.042
  431   HG13  VAL  60          HG13      VAL  60   3.572  10.673 -22.630
  432   HG21  VAL  60          HG21      VAL  60   2.823   7.436 -24.287
  433   HG22  VAL  60          HG22      VAL  60   1.639   7.510 -22.969
  434   HG23  VAL  60          HG23      VAL  60   1.130   7.761 -24.655
  435    H    LYS  61           H        LYS  61   1.185  11.708 -21.349
  436    HA   LYS  61           HA       LYS  61   1.725  14.247 -22.852
  437    HB2  LYS  61           HB2      LYS  61  -0.245  13.607 -20.618
  438    HB3  LYS  61           HB3      LYS  61   0.218  15.264 -21.026
  439    HG2  LYS  61           HG2      LYS  61  -0.669  14.989 -23.300
  440    HG3  LYS  61           HG3      LYS  61  -1.107  13.301 -22.964
  441    HD2  LYS  61           HD2      LYS  61  -2.631  13.978 -21.199
  442    HD3  LYS  61           HD3      LYS  61  -2.181  15.680 -21.374
  443    HE2  LYS  61           HE2      LYS  61  -3.696  13.955 -23.394
  444    HE3  LYS  61           HE3      LYS  61  -4.375  15.199 -22.344
  445    HZ1  LYS  61           HZ1      LYS  61  -2.871  16.814 -23.548
  446    HZ2  LYS  61           HZ2      LYS  61  -2.550  15.612 -24.644
  447    HZ3  LYS  61           HZ3      LYS  61  -4.065  16.178 -24.463
  448    H    ARG  62           H        ARG  62   2.693  15.917 -21.606
  449    HA   ARG  62           HA       ARG  62   4.275  15.090 -19.197
  450    HB2  ARG  62           HB2      ARG  62   5.672  15.407 -21.253
  451    HB3  ARG  62           HB3      ARG  62   5.033  17.034 -21.430
  452    HG2  ARG  62           HG2      ARG  62   6.066  17.623 -19.182
  453    HG3  ARG  62           HG3      ARG  62   6.740  15.989 -19.120
  454    HD2  ARG  62           HD2      ARG  62   8.453  17.502 -19.901
  455    HD3  ARG  62           HD3      ARG  62   7.967  16.479 -21.263
  456    HE   ARG  62           HE       ARG  62   6.477  18.987 -21.137
  457   HH11  ARG  62          HH11      ARG  62   9.620  17.736 -22.215
  458   HH12  ARG  62          HH12      ARG  62   9.793  18.983 -23.406
  459   HH21  ARG  62          HH21      ARG  62   6.776  20.552 -22.705
  460   HH22  ARG  62          HH22      ARG  62   8.224  20.560 -23.663
  461    H    GLU  63           H        GLU  63   4.067  16.461 -17.422
  462    HA   GLU  63           HA       GLU  63   3.615  19.283 -17.691
  463    HB2  GLU  63           HB2      GLU  63   1.216  17.632 -17.354
  464    HB3  GLU  63           HB3      GLU  63   1.439  18.647 -15.953
  465    HG2  GLU  63           HG2      GLU  63   1.199  19.579 -18.825
  466    HG3  GLU  63           HG3      GLU  63   0.032  19.781 -17.528
  467    H    ARG  64           H        ARG  64   3.080  20.177 -15.272
  468    HA   ARG  64           HA       ARG  64   5.254  19.280 -13.560
  469    HB2  ARG  64           HB2      ARG  64   2.955  21.181 -13.076
  470    HB3  ARG  64           HB3      ARG  64   4.276  20.895 -11.937
  471    HG2  ARG  64           HG2      ARG  64   5.897  21.713 -13.654
  472    HG3  ARG  64           HG3      ARG  64   4.546  22.043 -14.752
  473    HD2  ARG  64           HD2      ARG  64   5.082  24.118 -13.745
  474    HD3  ARG  64           HD3      ARG  64   3.585  23.598 -12.984
  475    HE   ARG  64           HE       ARG  64   6.327  23.649 -11.815
  476   HH11  ARG  64          HH11      ARG  64   2.829  23.115 -11.077
  477   HH12  ARG  64          HH12      ARG  64   3.215  23.180  -9.357
  478   HH21  ARG  64          HH21      ARG  64   6.536  23.687  -9.549
  479   HH22  ARG  64          HH22      ARG  64   5.088  23.450  -8.578
  480    H    LEU  65           H        LEU  65   5.158  18.080 -11.695
  481    HA   LEU  65           HA       LEU  65   3.280  16.030 -11.346
  482    HB2  LEU  65           HB2      LEU  65   5.493  15.967 -10.354
  483    HB3  LEU  65           HB3      LEU  65   5.161  17.375  -9.357
  484    HG   LEU  65           HG       LEU  65   3.557  16.127  -8.001
  485   HD11  LEU  65          HD11      LEU  65   4.217  13.680  -9.698
  486   HD12  LEU  65          HD12      LEU  65   3.189  13.724  -8.253
  487   HD13  LEU  65          HD13      LEU  65   2.665  14.540  -9.728
  488   HD21  LEU  65          HD21      LEU  65   5.930  16.085  -7.386
  489   HD22  LEU  65          HD22      LEU  65   5.153  14.546  -6.969
  490   HD23  LEU  65          HD23      LEU  65   6.190  14.651  -8.409
  491    H    GLU  66           H        GLU  66   3.348  19.049  -9.349
  492    HA   GLU  66           HA       GLU  66   1.056  18.450  -7.849
  493    HB2  GLU  66           HB2      GLU  66   1.583  21.304  -8.759
  494    HB3  GLU  66           HB3      GLU  66   0.972  20.734  -7.208
  495    HG2  GLU  66           HG2      GLU  66   3.269  19.799  -6.750
  496    HG3  GLU  66           HG3      GLU  66   3.789  20.516  -8.292
  497    H    ASP  67           H        ASP  67   1.268  20.193 -10.978
  498    HA   ASP  67           HA       ASP  67  -1.494  20.720 -11.214
  499    HB2  ASP  67           HB2      ASP  67   0.700  20.518 -13.310
  500    HB3  ASP  67           HB3      ASP  67  -0.945  21.028 -13.673
  501    H    VAL  68           H        VAL  68   0.434  17.950 -12.436
  502    HA   VAL  68           HA       VAL  68  -1.742  16.538 -13.620
  503    HB   VAL  68           HB       VAL  68   0.936  15.585 -12.556
  504   HG11  VAL  68          HG11      VAL  68  -1.113  13.943 -14.112
  505   HG12  VAL  68          HG12      VAL  68   0.583  13.483 -13.839
  506   HG13  VAL  68          HG13      VAL  68  -0.520  13.614 -12.467
  507   HG21  VAL  68          HG21      VAL  68   1.420  15.396 -14.992
  508   HG22  VAL  68          HG22      VAL  68  -0.202  15.998 -15.369
  509   HG23  VAL  68          HG23      VAL  68   0.976  17.038 -14.556
  510    H    VAL  69           H        VAL  69  -0.444  16.490 -10.283
  511    HA   VAL  69           HA       VAL  69  -2.123  14.481  -9.202
  512    HB   VAL  69           HB       VAL  69  -0.737  16.829  -7.998
  513   HG11  VAL  69          HG11      VAL  69  -2.185  14.634  -6.474
  514   HG12  VAL  69          HG12      VAL  69  -1.091  15.850  -5.766
  515   HG13  VAL  69          HG13      VAL  69  -2.616  16.364  -6.486
  516   HG21  VAL  69          HG21      VAL  69   0.569  14.812  -8.915
  517   HG22  VAL  69          HG22      VAL  69   0.903  15.319  -7.258
  518   HG23  VAL  69          HG23      VAL  69  -0.125  13.891  -7.588
  519    H    GLY  70           H        GLY  70  -2.576  18.076  -9.314
  520    HA2  GLY  70           HA2      GLY  70  -4.497  19.376  -9.222
  521    HA3  GLY  70           HA3      GLY  70  -5.395  17.945  -9.755
  522    H    GLY  71           H        GLY  71  -7.011  17.490  -8.430
  523    HA2  GLY  71           HA2      GLY  71  -6.995  18.146  -5.553
  524    HA3  GLY  71           HA3      GLY  71  -8.342  17.484  -6.506
  525    H    CYS  72           H        CYS  72  -5.720  15.547  -7.187
  526    HA   CYS  72           HA       CYS  72  -6.688  13.333  -5.511
  527    HB2  CYS  72           HB2      CYS  72  -4.319  13.398  -7.429
  528    HB3  CYS  72           HB3      CYS  72  -5.184  11.980  -6.838
  529    HG   CYS  72           HG       CYS  72  -6.101  14.351  -8.945
  530    H    CYS  73           H        CYS  73  -4.880  11.905  -4.558
  531    HA   CYS  73           HA       CYS  73  -2.739  13.454  -3.118
  532    HB2  CYS  73           HB2      CYS  73  -4.334  10.984  -2.276
  533    HB3  CYS  73           HB3      CYS  73  -2.859  11.528  -1.454
  534    HG   CYS  73           HG       CYS  73  -5.635  13.274  -2.023
  535    H    TYR  74           H        TYR  74  -0.704  11.987  -2.737
  536    HA   TYR  74           HA       TYR  74  -0.334   9.894  -4.755
  537    HB2  TYR  74           HB2      TYR  74   1.261  10.990  -6.130
  538    HB3  TYR  74           HB3      TYR  74  -0.126  12.045  -6.048
  539    HD1  TYR  74           HD1      TYR  74  -0.026  14.119  -4.569
  540    HD2  TYR  74           HD2      TYR  74   3.440  11.687  -5.386
  541    HE1  TYR  74           HE1      TYR  74   1.451  16.012  -3.926
  542    HE2  TYR  74           HE2      TYR  74   4.917  13.561  -4.711
  543    HH   TYR  74           HH       TYR  74   3.634  16.752  -3.673
  544    H    ARG  75           H        ARG  75   1.788   8.926  -4.834
  545    HA   ARG  75           HA       ARG  75   3.770   9.577  -2.741
  546    HB2  ARG  75           HB2      ARG  75   2.384   6.849  -2.928
  547    HB3  ARG  75           HB3      ARG  75   3.898   7.103  -2.082
  548    HG2  ARG  75           HG2      ARG  75   1.230   8.348  -1.324
  549    HG3  ARG  75           HG3      ARG  75   2.011   6.984  -0.543
  550    HD2  ARG  75           HD2      ARG  75   3.935   8.421   0.088
  551    HD3  ARG  75           HD3      ARG  75   3.144   9.813  -0.644
  552    HE   ARG  75           HE       ARG  75   2.488   8.473   1.889
  553   HH11  ARG  75          HH11      ARG  75   1.186  10.816  -0.477
  554   HH12  ARG  75          HH12      ARG  75   0.207  11.576   0.743
  555   HH21  ARG  75          HH21      ARG  75   1.223   9.520   3.343
  556   HH22  ARG  75          HH22      ARG  75   0.217  10.852   2.860
  557    H    VAL  76           H        VAL  76   5.824   8.571  -3.106
  558    HA   VAL  76           HA       VAL  76   6.367   7.752  -5.938
  559    HB   VAL  76           HB       VAL  76   8.258   8.211  -3.601
  560   HG11  VAL  76          HG11      VAL  76   9.245   6.486  -5.010
  561   HG12  VAL  76          HG12      VAL  76   8.886   7.417  -6.477
  562   HG13  VAL  76          HG13      VAL  76  10.088   8.001  -5.310
  563   HG21  VAL  76          HG21      VAL  76   9.050  10.158  -4.816
  564   HG22  VAL  76          HG22      VAL  76   7.967   9.811  -6.169
  565   HG23  VAL  76          HG23      VAL  76   7.299  10.305  -4.597
  566    H    ASN  77           H        ASN  77   6.747   5.590  -6.447
  567    HA   ASN  77           HA       ASN  77   7.189   3.604  -4.327
  568    HB2  ASN  77           HB2      ASN  77   4.696   4.065  -4.344
  569    HB3  ASN  77           HB3      ASN  77   4.647   3.452  -5.992
  570   HD21  ASN  77          HD22      ASN  77   3.075   1.917  -4.956
  571   HD22  ASN  77          HD21      ASN  77   3.733   0.477  -4.175
  572    H    ASN  78           H        ASN  78   9.121   3.245  -5.412
  573    HA   ASN  78           HA       ASN  78   9.196   2.516  -8.231
  574    HB2  ASN  78           HB2      ASN  78  11.348   2.654  -6.084
  575    HB3  ASN  78           HB3      ASN  78  11.660   2.307  -7.785
  576   HD21  ASN  78          HD22      ASN  78  12.946   4.442  -6.606
  577   HD22  ASN  78          HD21      ASN  78  12.320   5.923  -7.317
  578    H    SER  79           H        SER  79   7.512   0.637  -7.225
  579    HA   SER  79           HA       SER  79   8.522  -1.638  -5.952
  580    HB2  SER  79           HB2      SER  79   6.347  -1.662  -8.074
  581    HB3  SER  79           HB3      SER  79   6.525  -2.746  -6.681
  582    HG   SER  79           HG       SER  79   4.949  -1.107  -6.291
  583    H    LEU  80           H        LEU  80   8.605  -0.870  -9.404
  584    HA   LEU  80           HA       LEU  80   9.163  -3.497 -10.344
  585    HB2  LEU  80           HB2      LEU  80   9.881  -0.893 -11.731
  586    HB3  LEU  80           HB3      LEU  80   9.640  -2.489 -12.462
  587    HG   LEU  80           HG       LEU  80   7.487  -0.750 -11.183
  588   HD11  LEU  80          HD11      LEU  80   8.313   0.009 -13.393
  589   HD12  LEU  80          HD12      LEU  80   7.966  -1.589 -14.071
  590   HD13  LEU  80          HD13      LEU  80   6.639  -0.566 -13.452
  591   HD21  LEU  80          HD21      LEU  80   7.271  -3.516 -12.453
  592   HD22  LEU  80          HD22      LEU  80   6.912  -3.080 -10.761
  593   HD23  LEU  80          HD23      LEU  80   5.893  -2.462 -12.062
  594    H    ASP  81           H        ASP  81  11.293  -1.360  -8.703
  595    HA   ASP  81           HA       ASP  81  13.784  -2.292  -9.778
  596    HB2  ASP  81           HB2      ASP  81  13.291  -0.363  -8.096
  597    HB3  ASP  81           HB3      ASP  81  13.266  -1.649  -6.867
  598    H    HIS  82           H        HIS  82  11.452  -3.763  -7.684
  599    HA   HIS  82           HA       HIS  82  13.213  -6.034  -6.947
  600    HB2  HIS  82           HB2      HIS  82  11.608  -4.769  -5.425
  601    HB3  HIS  82           HB3      HIS  82  10.284  -5.506  -6.323
  602    HD1  HIS  82           HD1      HIS  82  13.154  -6.507  -3.939
  603    HD2  HIS  82           HD2      HIS  82   9.658  -8.030  -5.719
  604    HE1  HIS  82           HE1      HIS  82  12.678  -8.724  -2.785
  605    H    GLU  83           H        GLU  83  11.459  -5.183  -9.670
  606    HA   GLU  83           HA       GLU  83  10.630  -7.963 -10.374
  607    HB2  GLU  83           HB2      GLU  83   9.936  -5.301 -11.686
  608    HB3  GLU  83           HB3      GLU  83   9.456  -6.887 -12.271
  609    HG2  GLU  83           HG2      GLU  83   8.643  -5.665  -9.605
  610    HG3  GLU  83           HG3      GLU  83   7.642  -5.782 -11.049
  611    H    TYR  84           H        TYR  84  12.349  -5.130 -11.710
  612    HA   TYR  84           HA       TYR  84  13.973  -6.943 -13.458
  613    HB2  TYR  84           HB2      TYR  84  13.246  -4.119 -14.222
  614    HB3  TYR  84           HB3      TYR  84  13.747  -5.447 -15.250
  615    HD1  TYR  84           HD1      TYR  84  12.049  -7.559 -15.246
  616    HD2  TYR  84           HD2      TYR  84  11.002  -3.513 -14.170
  617    HE1  TYR  84           HE1      TYR  84   9.649  -8.073 -15.637
  618    HE2  TYR  84           HE2      TYR  84   8.607  -4.025 -14.554
  619    HH   TYR  84           HH       TYR  84   7.053  -5.637 -15.169
  620    H    GLN  85           H        GLN  85  16.133  -6.403 -13.887
  621    HA   GLN  85           HA       GLN  85  17.551  -5.143 -11.762
  622    HB2  GLN  85           HB2      GLN  85  18.416  -6.089 -14.519
  623    HB3  GLN  85           HB3      GLN  85  19.559  -5.419 -13.364
  624    HG2  GLN  85           HG2      GLN  85  17.793  -7.839 -12.840
  625    HG3  GLN  85           HG3      GLN  85  19.482  -7.907 -13.321
  626   HE21  GLN  85          HE22      GLN  85  18.075  -8.871 -10.778
  627   HE22  GLN  85          HE21      GLN  85  18.993  -8.094  -9.495
  628    HA   PRO  86           HA       PRO  86  17.503  -0.918 -12.498
  629    HB2  PRO  86           HB2      PRO  86  20.511  -0.779 -12.296
  630    HB3  PRO  86           HB3      PRO  86  19.269   0.190 -11.441
  631    HG2  PRO  86           HG2      PRO  86  20.480  -1.866 -10.178
  632    HG3  PRO  86           HG3      PRO  86  18.702  -1.661 -10.029
  633    HD2  PRO  86           HD2      PRO  86  20.231  -3.528 -11.851
  634    HD3  PRO  86           HD3      PRO  86  18.820  -3.856 -10.804
  635    H    ARG  87           H        ARG  87  17.078   0.251 -14.230
  636    HA   ARG  87           HA       ARG  87  18.704   0.114 -16.689
  637    HB2  ARG  87           HB2      ARG  87  16.010   1.258 -15.893
  638    HB3  ARG  87           HB3      ARG  87  16.807   1.817 -17.358
  639    HG2  ARG  87           HG2      ARG  87  15.258   0.127 -17.898
  640    HG3  ARG  87           HG3      ARG  87  16.901  -0.432 -18.248
  641    HD2  ARG  87           HD2      ARG  87  16.894  -1.929 -16.409
  642    HD3  ARG  87           HD3      ARG  87  15.356  -1.292 -15.784
  643    HE   ARG  87           HE       ARG  87  14.503  -2.020 -18.173
  644   HH11  ARG  87          HH11      ARG  87  16.507  -3.923 -15.962
  645   HH12  ARG  87          HH12      ARG  87  16.218  -5.412 -16.831
  646   HH21  ARG  87          HH21      ARG  87  14.089  -4.004 -19.204
  647   HH22  ARG  87          HH22      ARG  87  14.786  -5.459 -18.573
  648    HA   PRO  88           HA       PRO  88  20.659   4.120 -15.866
  649    HB2  PRO  88           HB2      PRO  88  21.159   5.018 -18.393
  650    HB3  PRO  88           HB3      PRO  88  22.059   3.670 -17.632
  651    HG2  PRO  88           HG2      PRO  88  19.732   3.497 -19.557
  652    HG3  PRO  88           HG3      PRO  88  21.269   2.584 -19.596
  653    HD2  PRO  88           HD2      PRO  88  18.933   1.589 -18.566
  654    HD3  PRO  88           HD3      PRO  88  20.535   1.142 -17.898
  655    H    VAL  89           H        VAL  89  19.459   5.759 -15.075
  656    HA   VAL  89           HA       VAL  89  16.763   6.169 -15.673
  657    HB   VAL  89           HB       VAL  89  18.790   7.881 -14.235
  658   HG11  VAL  89          HG11      VAL  89  15.834   8.551 -14.501
  659   HG12  VAL  89          HG12      VAL  89  16.942   9.247 -13.292
  660   HG13  VAL  89          HG13      VAL  89  17.211   9.564 -14.995
  661   HG21  VAL  89          HG21      VAL  89  17.525   7.149 -12.252
  662   HG22  VAL  89          HG22      VAL  89  16.366   6.289 -13.292
  663   HG23  VAL  89          HG23      VAL  89  18.053   5.750 -13.195
  664    H    GLU  90           H        GLU  90  19.497   7.960 -17.102
  665    HA   GLU  90           HA       GLU  90  17.992   9.941 -18.423
  666    HB2  GLU  90           HB2      GLU  90  19.876  10.212 -19.900
  667    HB3  GLU  90           HB3      GLU  90  20.409   9.995 -18.234
  668    HG2  GLU  90           HG2      GLU  90  20.956   7.586 -18.794
  669    HG3  GLU  90           HG3      GLU  90  20.543   7.939 -20.479
  670    H    VAL  91           H        VAL  91  18.556   6.578 -19.375
  671    HA   VAL  91           HA       VAL  91  17.300   6.917 -21.967
  672    HB   VAL  91           HB       VAL  91  17.845   4.289 -20.578
  673   HG11  VAL  91          HG11      VAL  91  17.828   3.354 -22.855
  674   HG12  VAL  91          HG12      VAL  91  16.264   4.073 -22.469
  675   HG13  VAL  91          HG13      VAL  91  17.396   4.950 -23.519
  676   HG21  VAL  91          HG21      VAL  91  19.969   5.535 -20.837
  677   HG22  VAL  91          HG22      VAL  91  19.902   4.222 -22.011
  678   HG23  VAL  91          HG23      VAL  91  19.574   5.887 -22.536
  679    H    ILE  92           H        ILE  92  16.174   5.765 -18.738
  680    HA   ILE  92           HA       ILE  92  13.506   5.016 -19.553
  681    HB   ILE  92           HB       ILE  92  14.279   6.335 -16.907
  682   HG12  ILE  92          HG12      ILE  92  14.409   3.352 -17.552
  683   HG13  ILE  92          HG13      ILE  92  15.807   4.413 -17.373
  684   HG21  ILE  92          HG21      ILE  92  12.067   4.339 -17.568
  685   HG22  ILE  92          HG22      ILE  92  12.364   5.120 -15.999
  686   HG23  ILE  92          HG23      ILE  92  11.833   6.088 -17.366
  687   HD11  ILE  92          HD11      ILE  92  13.887   3.552 -15.211
  688   HD12  ILE  92          HD12      ILE  92  15.655   3.407 -15.281
  689   HD13  ILE  92          HD13      ILE  92  14.924   4.992 -15.027
  690    H    ILE  93           H        ILE  93  14.788   8.184 -18.478
  691    HA   ILE  93           HA       ILE  93  12.358   9.630 -18.976
  692    HB   ILE  93           HB       ILE  93  15.264  10.468 -18.670
  693   HG12  ILE  93          HG12      ILE  93  12.832  10.861 -16.849
  694   HG13  ILE  93          HG13      ILE  93  13.928   9.488 -16.694
  695   HG21  ILE  93          HG21      ILE  93  14.229  12.219 -20.029
  696   HG22  ILE  93          HG22      ILE  93  12.812  12.278 -18.949
  697   HG23  ILE  93          HG23      ILE  93  14.414  12.830 -18.395
  698   HD11  ILE  93          HD11      ILE  93  14.641  12.405 -16.228
  699   HD12  ILE  93          HD12      ILE  93  14.496  11.110 -15.035
  700   HD13  ILE  93          HD13      ILE  93  15.807  11.060 -16.239
  701    H    SER  94           H        SER  94  15.127   8.904 -21.092
  702    HA   SER  94           HA       SER  94  14.214  10.471 -23.297
  703    HB2  SER  94           HB2      SER  94  15.851   7.910 -23.372
  704    HB3  SER  94           HB3      SER  94  15.635   9.053 -24.703
  705    HG   SER  94           HG       SER  94  16.928   9.538 -22.199
  706    H    SER  95           H        SER  95  13.568   7.063 -22.443
  707    HA   SER  95           HA       SER  95  11.777   6.431 -24.559
  708    HB2  SER  95           HB2      SER  95  11.910   5.480 -21.671
  709    HB3  SER  95           HB3      SER  95  10.956   4.698 -22.956
  710    HG   SER  95           HG       SER  95  13.161   4.688 -24.084
  711    H    ALA  96           H        ALA  96  11.149   7.884 -21.314
  712    HA   ALA  96           HA       ALA  96   8.338   8.112 -21.547
  713    HB1  ALA  96           HB1      ALA  96   9.797   8.365 -19.496
  714    HB2  ALA  96           HB2      ALA  96  10.269   9.973 -20.083
  715    HB3  ALA  96           HB3      ALA  96   8.575   9.623 -19.672
  716    H    LYS  97           H        LYS  97  10.915  10.493 -22.411
  717    HA   LYS  97           HA       LYS  97   9.196  12.490 -23.496
  718    HB2  LYS  97           HB2      LYS  97  12.115  11.768 -23.919
  719    HB3  LYS  97           HB3      LYS  97  11.368  13.167 -24.694
  720    HG2  LYS  97           HG2      LYS  97  10.870  14.215 -22.590
  721    HG3  LYS  97           HG3      LYS  97  11.354  12.777 -21.665
  722    HD2  LYS  97           HD2      LYS  97  13.652  12.979 -22.405
  723    HD3  LYS  97           HD3      LYS  97  13.234  14.318 -23.503
  724    HE2  LYS  97           HE2      LYS  97  12.516  15.688 -21.532
  725    HE3  LYS  97           HE3      LYS  97  13.029  14.387 -20.449
  726    HZ1  LYS  97           HZ1      LYS  97  14.765  16.083 -20.683
  727    HZ2  LYS  97           HZ2      LYS  97  15.316  14.682 -21.324
  728    HZ3  LYS  97           HZ3      LYS  97  14.819  15.897 -22.301
  729    H    GLU  98           H        GLU  98  10.820   9.764 -25.132
  730    HA   GLU  98           HA       GLU  98   9.826  10.354 -27.735
  731    HB2  GLU  98           HB2      GLU  98  10.786   7.783 -26.440
  732    HB3  GLU  98           HB3      GLU  98  10.218   7.823 -28.103
  733    HG2  GLU  98           HG2      GLU  98  12.503   9.551 -27.062
  734    HG3  GLU  98           HG3      GLU  98  12.711   8.001 -27.865
  735    H    MET  99           H        MET  99   8.365   8.488 -25.066
  736    HA   MET  99           HA       MET  99   6.078   7.686 -26.589
  737    HB2  MET  99           HB2      MET  99   6.620   7.775 -23.616
  738    HB3  MET  99           HB3      MET  99   5.115   7.175 -24.330
  739    HG2  MET  99           HG2      MET  99   7.834   6.102 -25.151
  740    HG3  MET  99           HG3      MET  99   6.930   5.418 -23.821
  741    HE1  MET  99           HE1      MET  99   4.217   3.322 -25.315
  742    HE2  MET  99           HE2      MET  99   5.300   3.656 -23.952
  743    HE3  MET  99           HE3      MET  99   4.068   4.853 -24.432
  744    H    VAL 100           H        VAL 100   6.578  10.495 -24.413
  745    HA   VAL 100           HA       VAL 100   4.028  11.634 -24.479
  746    HB   VAL 100           HB       VAL 100   6.663  13.106 -24.693
  747   HG11  VAL 100          HG11      VAL 100   3.898  14.266 -24.098
  748   HG12  VAL 100          HG12      VAL 100   5.435  15.120 -23.878
  749   HG13  VAL 100          HG13      VAL 100   4.918  14.662 -25.501
  750   HG21  VAL 100          HG21      VAL 100   4.751  12.780 -22.348
  751   HG22  VAL 100          HG22      VAL 100   6.164  11.756 -22.613
  752   HG23  VAL 100          HG23      VAL 100   6.381  13.491 -22.342
  753    H    GLY 101           H        GLY 101   2.671  12.427 -25.831
  754    HA2  GLY 101           HA2      GLY 101   1.897  13.601 -27.735
  755    HA3  GLY 101           HA3      GLY 101   3.429  13.280 -28.587
  756    H    GLN 102           H        GLN 102   2.971  10.286 -27.471
  757    HA   GLN 102           HA       GLN 102   1.548   9.421 -29.831
  758    HB2  GLN 102           HB2      GLN 102   2.824   7.798 -27.597
  759    HB3  GLN 102           HB3      GLN 102   2.115   7.151 -29.077
  760    HG2  GLN 102           HG2      GLN 102   3.767   8.500 -30.429
  761    HG3  GLN 102           HG3      GLN 102   4.535   9.006 -28.928
  762   HE21  GLN 102          HE22      GLN 102   6.525   7.889 -28.862
  763   HE22  GLN 102          HE21      GLN 102   6.648   6.159 -29.158
  764    H    LYS 103           H        LYS 103  -0.341   8.332 -29.931
  765    HA   LYS 103           HA       LYS 103  -2.165   8.420 -27.573
  766    HB2  LYS 103           HB2      LYS 103  -2.707   8.305 -30.563
  767    HB3  LYS 103           HB3      LYS 103  -3.956   8.122 -29.320
  768    HG2  LYS 103           HG2      LYS 103  -3.469  10.358 -28.433
  769    HG3  LYS 103           HG3      LYS 103  -2.170  10.577 -29.623
  770    HD2  LYS 103           HD2      LYS 103  -3.810  10.370 -31.464
  771    HD3  LYS 103           HD3      LYS 103  -5.119  10.151 -30.278
  772    HE2  LYS 103           HE2      LYS 103  -4.616  12.378 -29.307
  773    HE3  LYS 103           HE3      LYS 103  -3.292  12.596 -30.455
  774    HZ1  LYS 103           HZ1      LYS 103  -4.931  12.542 -32.263
  775    HZ2  LYS 103           HZ2      LYS 103  -6.164  12.333 -31.209
  776    HZ3  LYS 103           HZ3      LYS 103  -5.311  13.725 -31.205
  777    H    MET 104           H        MET 104  -3.383   6.652 -26.990
  778    HA   MET 104           HA       MET 104  -2.501   3.965 -27.984
  779    HB2  MET 104           HB2      MET 104  -3.125   4.634 -25.084
  780    HB3  MET 104           HB3      MET 104  -2.491   3.124 -25.727
  781    HG2  MET 104           HG2      MET 104  -1.035   5.802 -25.640
  782    HG3  MET 104           HG3      MET 104  -0.772   4.439 -24.566
  783    HE1  MET 104           HE1      MET 104   1.791   4.979 -25.121
  784    HE2  MET 104           HE2      MET 104   2.507   4.820 -26.741
  785    HE3  MET 104           HE3      MET 104   1.376   6.146 -26.400
  786    H    LYS 105           H        LYS 105  -4.072   2.404 -28.142
  787    HA   LYS 105           HA       LYS 105  -6.802   3.261 -28.467
  788    HB2  LYS 105           HB2      LYS 105  -7.219   0.973 -29.134
  789    HB3  LYS 105           HB3      LYS 105  -5.741   1.574 -29.872
  790    HG2  LYS 105           HG2      LYS 105  -4.372   0.297 -28.239
  791    HG3  LYS 105           HG3      LYS 105  -5.837  -0.229 -27.405
  792    HD2  LYS 105           HD2      LYS 105  -5.045  -2.026 -28.790
  793    HD3  LYS 105           HD3      LYS 105  -6.582  -1.434 -29.435
  794    HE2  LYS 105           HE2      LYS 105  -5.349  -0.133 -31.173
  795    HE3  LYS 105           HE3      LYS 105  -3.808  -0.680 -30.498
  796    HZ1  LYS 105           HZ1      LYS 105  -5.875  -2.457 -31.700
  797    HZ2  LYS 105           HZ2      LYS 105  -4.464  -2.030 -32.403
  798    HZ3  LYS 105           HZ3      LYS 105  -4.455  -2.966 -31.063
  799    H    TYR 106           H        TYR 106  -8.686   1.989 -27.557
  800    HA   TYR 106           HA       TYR 106  -8.886   2.303 -24.719
  801    HB2  TYR 106           HB2      TYR 106 -10.766   2.400 -26.377
  802    HB3  TYR 106           HB3      TYR 106 -10.614   0.660 -26.611
  803    HD1  TYR 106           HD2      TYR 106 -11.083   3.213 -23.883
  804    HD2  TYR 106           HD1      TYR 106 -11.984  -0.756 -25.304
  805    HE1  TYR 106           HE2      TYR 106 -12.574   2.852 -21.919
  806    HE2  TYR 106           HE1      TYR 106 -13.501  -1.108 -23.368
  807    HH   TYR 106           HH       TYR 106 -14.009   1.396 -20.841
  808    H    SER 107           H        SER 107  -8.810   0.804 -23.005
  809    HA   SER 107           HA       SER 107  -7.242  -1.657 -23.557
  810    HB2  SER 107           HB2      SER 107  -6.522  -0.203 -21.728
  811    HB3  SER 107           HB3      SER 107  -8.088  -0.438 -20.913
  812    HG   SER 107           HG       SER 107  -6.335  -1.873 -20.232
  813    H    ILE 108           H        ILE 108  -7.966  -3.721 -23.350
  814    HA   ILE 108           HA       ILE 108 -10.845  -4.198 -22.789
  815    HB   ILE 108           HB       ILE 108 -10.441  -6.457 -23.589
  816   HG12  ILE 108          HG12      ILE 108  -7.551  -5.637 -24.140
  817   HG13  ILE 108          HG13      ILE 108  -8.062  -6.695 -22.824
  818   HG21  ILE 108          HG21      ILE 108 -11.032  -4.556 -25.111
  819   HG22  ILE 108          HG22      ILE 108  -9.318  -4.373 -25.517
  820   HG23  ILE 108          HG23      ILE 108 -10.180  -5.869 -25.925
  821   HD11  ILE 108          HD11      ILE 108  -7.253  -8.051 -24.649
  822   HD12  ILE 108          HD12      ILE 108  -9.005  -8.299 -24.495
  823   HD13  ILE 108          HD13      ILE 108  -8.347  -7.276 -25.799
  824    H    VAL 109           H        VAL 109  -8.448  -3.670 -20.772
  825    HA   VAL 109           HA       VAL 109  -9.519  -5.458 -18.659
  826    HB   VAL 109           HB       VAL 109  -7.251  -5.792 -17.718
  827   HG11  VAL 109          HG11      VAL 109  -8.336  -7.574 -19.037
  828   HG12  VAL 109          HG12      VAL 109  -7.507  -6.986 -20.496
  829   HG13  VAL 109          HG13      VAL 109  -6.571  -7.624 -19.132
  830   HG21  VAL 109          HG21      VAL 109  -5.240  -5.501 -19.030
  831   HG22  VAL 109          HG22      VAL 109  -6.158  -4.824 -20.387
  832   HG23  VAL 109          HG23      VAL 109  -6.048  -3.940 -18.853
  833    H    SER 110           H        SER 110  -8.588  -4.636 -16.414
  834    HA   SER 110           HA       SER 110  -9.391  -1.890 -16.098
  835    HB2  SER 110           HB2      SER 110  -8.635  -2.273 -13.747
  836    HB3  SER 110           HB3      SER 110  -9.764  -3.494 -14.354
  837    HG   SER 110           HG       SER 110  -7.965  -4.454 -13.242
  838    H    ARG 111           H        ARG 111  -6.210  -3.399 -16.476
  839    HA   ARG 111           HA       ARG 111  -4.649  -1.163 -15.581
  840    HB2  ARG 111           HB2      ARG 111  -3.902  -3.517 -17.361
  841    HB3  ARG 111           HB3      ARG 111  -2.756  -2.325 -16.729
  842    HG2  ARG 111           HG2      ARG 111  -3.405  -2.922 -14.399
  843    HG3  ARG 111           HG3      ARG 111  -4.498  -4.166 -15.027
  844    HD2  ARG 111           HD2      ARG 111  -2.555  -5.324 -16.088
  845    HD3  ARG 111           HD3      ARG 111  -1.489  -4.058 -15.491
  846    HE   ARG 111           HE       ARG 111  -1.575  -4.922 -13.351
  847   HH11  ARG 111          HH11      ARG 111  -3.998  -6.693 -15.256
  848   HH12  ARG 111          HH12      ARG 111  -4.233  -7.872 -14.005
  849   HH21  ARG 111          HH21      ARG 111  -1.931  -6.486 -11.802
  850   HH22  ARG 111          HH22      ARG 111  -3.074  -7.761 -12.083
  851    H    ASN 112           H        ASN 112  -3.390   0.259 -16.687
  852    HA   ASN 112           HA       ASN 112  -3.437   0.744 -19.518
  853    HB2  ASN 112           HB2      ASN 112  -5.718   1.545 -19.107
  854    HB3  ASN 112           HB3      ASN 112  -5.169   2.559 -17.777
  855   HD21  ASN 112          HD22      ASN 112  -4.954   2.109 -21.347
  856   HD22  ASN 112          HD21      ASN 112  -4.553   3.783 -21.662
  857    H    CYS 113           H        CYS 113  -3.209   2.734 -16.508
  858    HA   CYS 113           HA       CYS 113  -1.008   4.271 -17.693
  859    HB2  CYS 113           HB2      CYS 113  -3.081   5.127 -16.431
  860    HB3  CYS 113           HB3      CYS 113  -2.295   4.571 -14.949
  861    HG   CYS 113           HG       CYS 113  -1.739   7.032 -17.025
  862    H    GLU 114           H        GLU 114  -1.343   1.933 -15.047
  863    HA   GLU 114           HA       GLU 114   1.397   2.118 -14.077
  864    HB2  GLU 114           HB2      GLU 114   0.976   0.207 -12.792
  865    HB3  GLU 114           HB3      GLU 114  -0.417   1.253 -12.663
  866    HG2  GLU 114           HG2      GLU 114  -0.257  -1.307 -14.273
  867    HG3  GLU 114           HG3      GLU 114  -1.056  -1.096 -12.725
  868    H    HIS 115           H        HIS 115  -0.380  -0.003 -16.309
  869    HA   HIS 115           HA       HIS 115   1.705  -1.575 -17.406
  870    HB2  HIS 115           HB2      HIS 115  -0.379  -2.227 -18.115
  871    HB3  HIS 115           HB3      HIS 115  -1.032  -0.606 -18.142
  872    HD1  HIS 115           HD1      HIS 115  -0.765   0.815 -20.420
  873    HD2  HIS 115           HD2      HIS 115   0.499  -3.204 -20.479
  874    HE1  HIS 115           HE1      HIS 115  -0.542   0.164 -22.879
  875    H    PHE 116           H        PHE 116   0.706   1.754 -18.356
  876    HA   PHE 116           HA       PHE 116   2.687   2.058 -20.385
  877    HB2  PHE 116           HB2      PHE 116   0.875   3.503 -20.459
  878    HB3  PHE 116           HB3      PHE 116   0.994   3.968 -18.774
  879    HD1  PHE 116           HD2      PHE 116   2.862   4.205 -22.016
  880    HD2  PHE 116           HD1      PHE 116   2.146   5.922 -18.122
  881    HE1  PHE 116           HE2      PHE 116   4.355   6.099 -22.563
  882    HE2  PHE 116           HE1      PHE 116   3.680   7.802 -18.673
  883    HZ   PHE 116           HZ       PHE 116   4.785   7.890 -20.897
  884    H    VAL 117           H        VAL 117   2.782   3.350 -16.973
  885    HA   VAL 117           HA       VAL 117   5.489   4.238 -17.403
  886    HB   VAL 117           HB       VAL 117   5.756   4.637 -15.043
  887   HG11  VAL 117          HG11      VAL 117   3.051   5.606 -16.009
  888   HG12  VAL 117          HG12      VAL 117   4.080   6.346 -14.773
  889   HG13  VAL 117          HG13      VAL 117   4.628   6.309 -16.449
  890   HG21  VAL 117          HG21      VAL 117   4.065   4.196 -13.394
  891   HG22  VAL 117          HG22      VAL 117   2.980   3.489 -14.610
  892   HG23  VAL 117          HG23      VAL 117   4.480   2.661 -14.153
  893    H    THR 118           H        THR 118   4.316   1.090 -16.459
  894    HA   THR 118           HA       THR 118   6.749  -0.127 -15.587
  895    HB   THR 118           HB       THR 118   4.435  -1.266 -17.043
  896    HG1  THR 118           HG1      THR 118   3.809  -0.552 -15.084
  897   HG21  THR 118          HG21      THR 118   5.159  -3.461 -16.073
  898   HG22  THR 118          HG22      THR 118   6.273  -2.854 -17.304
  899   HG23  THR 118          HG23      THR 118   6.685  -2.704 -15.580
  900    H    GLN 119           H        GLN 119   5.394   0.141 -18.862
  901    HA   GLN 119           HA       GLN 119   7.531  -1.272 -20.095
  902    HB2  GLN 119           HB2      GLN 119   5.373   0.584 -21.132
  903    HB3  GLN 119           HB3      GLN 119   6.582  -0.123 -22.217
  904    HG2  GLN 119           HG2      GLN 119   5.949  -2.373 -21.673
  905    HG3  GLN 119           HG3      GLN 119   4.940  -1.850 -20.322
  906   HE21  GLN 119          HE22      GLN 119   2.966  -0.655 -20.774
  907   HE22  GLN 119          HE21      GLN 119   2.093  -1.097 -22.234
  908    H    LEU 120           H        LEU 120   7.337   2.146 -19.217
  909    HA   LEU 120           HA       LEU 120   9.473   3.102 -20.861
  910    HB2  LEU 120           HB2      LEU 120   8.688   4.020 -18.062
  911    HB3  LEU 120           HB3      LEU 120   9.637   4.937 -19.223
  912    HG   LEU 120           HG       LEU 120   6.702   4.171 -19.533
  913   HD11  LEU 120          HD11      LEU 120   6.300   6.563 -19.220
  914   HD12  LEU 120          HD12      LEU 120   7.170   5.894 -17.834
  915   HD13  LEU 120          HD13      LEU 120   8.039   6.855 -19.053
  916   HD21  LEU 120          HD21      LEU 120   8.547   5.732 -21.385
  917   HD22  LEU 120          HD22      LEU 120   7.655   4.243 -21.762
  918   HD23  LEU 120          HD23      LEU 120   6.770   5.750 -21.496
  919    H    ARG 121           H        ARG 121   9.595   1.375 -17.766
  920    HA   ARG 121           HA       ARG 121  12.580   1.497 -17.739
  921    HB2  ARG 121           HB2      ARG 121  11.428   1.901 -15.627
  922    HB3  ARG 121           HB3      ARG 121  10.593   0.348 -15.726
  923    HG2  ARG 121           HG2      ARG 121  12.762  -0.847 -15.586
  924    HG3  ARG 121           HG3      ARG 121  13.638   0.690 -15.579
  925    HD2  ARG 121           HD2      ARG 121  12.734   1.270 -13.415
  926    HD3  ARG 121           HD3      ARG 121  11.608  -0.096 -13.449
  927    HE   ARG 121           HE       ARG 121  13.686  -1.582 -13.520
  928   HH11  ARG 121          HH11      ARG 121  13.740   1.484 -11.698
  929   HH12  ARG 121          HH12      ARG 121  14.885   0.836 -10.556
  930   HH21  ARG 121          HH22      ARG 121  15.098  -2.309 -11.925
  931   HH22  ARG 121          HH21      ARG 121  15.580  -1.206 -10.660
  932    H    TYR 122           H        TYR 122   9.949  -0.990 -17.864
  933    HA   TYR 122           HA       TYR 122  11.682  -3.236 -17.984
  934    HB2  TYR 122           HB2      TYR 122   9.346  -3.411 -17.393
  935    HB3  TYR 122           HB3      TYR 122   8.842  -2.791 -18.955
  936    HD1  TYR 122           HD1      TYR 122  11.040  -5.574 -17.652
  937    HD2  TYR 122           HD2      TYR 122   7.987  -4.370 -20.452
  938    HE1  TYR 122           HE1      TYR 122  10.941  -7.895 -18.536
  939    HE2  TYR 122           HE2      TYR 122   7.879  -6.681 -21.331
  940    HH   TYR 122           HH       TYR 122   8.707  -8.842 -21.194
  941    H    GLY 123           H        GLY 123  10.221  -1.363 -20.643
  942    HA2  GLY 123           HA2      GLY 123  11.941  -2.737 -22.689
  943    HA3  GLY 123           HA3      GLY 123  10.318  -2.066 -22.980
  944    H    LYS 124           H        LYS 124  13.214  -0.720 -21.314
  945    HA   LYS 124           HA       LYS 124  12.894   1.895 -22.332
  946    HB2  LYS 124           HB2      LYS 124  15.149   2.330 -21.534
  947    HB3  LYS 124           HB3      LYS 124  14.144   1.534 -20.362
  948    HG2  LYS 124           HG2      LYS 124  16.404   0.745 -20.242
  949    HG3  LYS 124           HG3      LYS 124  15.329  -0.586 -20.671
  950    HD2  LYS 124           HD2      LYS 124  16.132  -0.579 -22.955
  951    HD3  LYS 124           HD3      LYS 124  17.013   0.950 -22.701
  952    HE2  LYS 124           HE2      LYS 124  18.499  -0.193 -21.067
  953    HE3  LYS 124           HE3      LYS 124  17.591  -1.698 -21.289
  954    HZ1  LYS 124           HZ1      LYS 124  18.306  -1.725 -23.617
  955    HZ2  LYS 124           HZ2      LYS 124  19.114  -0.313 -23.441
  956    HZ3  LYS 124           HZ3      LYS 124  19.616  -1.654 -22.649
  957    H    SER 125           H        SER 125  14.304   3.147 -23.705
  958    HA   SER 125           HA       SER 125  14.108   2.296 -26.388
  959    HB2  SER 125           HB2      SER 125  15.651   4.614 -25.172
  960    HB3  SER 125           HB3      SER 125  15.343   4.409 -26.907
  961    HG   SER 125           HG       SER 125  13.141   4.597 -26.545
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  11.089  13.901  14.000
    2    H2   MET   1           H2       MET   1  11.712  12.395  14.095
    3    H3   MET   1           H3       MET   1  11.370  13.044  12.633
    4    HA   MET   1           HA       MET   1   9.396  12.352  14.717
    5    HB2  MET   1           HB2      MET   1   8.766  14.355  13.360
    6    HB3  MET   1           HB3      MET   1   8.874  13.391  11.890
    7    HG2  MET   1           HG2      MET   1   6.564  13.696  12.661
    8    HG3  MET   1           HG3      MET   1   6.999  11.996  12.630
    9    HE1  MET   1           HE1      MET   1   4.402  12.215  15.569
   10    HE2  MET   1           HE2      MET   1   4.395  13.099  14.028
   11    HE3  MET   1           HE3      MET   1   4.839  11.379  14.067
   12    H    ALA   2           H        ALA   2   8.320  10.352  14.517
   13    HA   ALA   2           HA       ALA   2   9.859   8.297  13.201
   14    HB1  ALA   2           HB1      ALA   2   7.199   8.181  14.699
   15    HB2  ALA   2           HB2      ALA   2   8.264   6.806  14.331
   16    HB3  ALA   2           HB3      ALA   2   8.819   8.074  15.437
   17    H    SER   3           H        SER   3   6.842   9.903  12.248
   18    HA   SER   3           HA       SER   3   5.750   7.947  10.592
   19    HB2  SER   3           HB2      SER   3   5.623  10.954  10.177
   20    HB3  SER   3           HB3      SER   3   4.484   9.752   9.551
   21    HG   SER   3           HG       SER   3   3.656  10.668  11.470
   22    HA   PRO   4           HA       PRO   4   8.441   7.824   7.048
   23    HB2  PRO   4           HB2      PRO   4   6.863   6.660   5.148
   24    HB3  PRO   4           HB3      PRO   4   7.466   5.777   6.583
   25    HG2  PRO   4           HG2      PRO   4   4.755   7.098   6.225
   26    HG3  PRO   4           HG3      PRO   4   5.112   5.446   6.814
   27    HD2  PRO   4           HD2      PRO   4   4.647   7.522   8.519
   28    HD3  PRO   4           HD3      PRO   4   5.845   6.248   8.905
   29    H    HIS   5           H        HIS   5   8.936   8.918   5.151
   30    HA   HIS   5           HA       HIS   5   7.045  10.903   4.012
   31    HB2  HIS   5           HB2      HIS   5   9.776  11.499   5.243
   32    HB3  HIS   5           HB3      HIS   5   8.993  12.573   4.100
   33    HD1  HIS   5           HD1      HIS   5   8.280  11.196   7.683
   34    HD2  HIS   5           HD2      HIS   5   7.301  14.308   5.012
   35    HE1  HIS   5           HE1      HIS   5   6.949  12.896   9.019
   36    H    GLN   6           H        GLN   6   7.669  11.624   1.871
   37    HA   GLN   6           HA       GLN   6   9.917  10.230   0.519
   38    HB2  GLN   6           HB2      GLN   6   7.012  10.156  -0.447
   39    HB3  GLN   6           HB3      GLN   6   8.412   9.625  -1.376
   40    HG2  GLN   6           HG2      GLN   6   8.864   7.904   0.441
   41    HG3  GLN   6           HG3      GLN   6   7.285   8.315   1.129
   42   HE21  GLN   6          HE22      GLN   6   7.950   5.668   0.125
   43   HE22  GLN   6          HE21      GLN   6   6.955   5.411  -1.301
   44    H    GLU   7           H        GLU   7  10.451  11.109  -1.547
   45    HA   GLU   7           HA       GLU   7   9.068  13.471  -2.530
   46    HB2  GLU   7           HB2      GLU   7  10.728  14.458  -1.007
   47    HB3  GLU   7           HB3      GLU   7  12.030  13.586  -1.830
   48    HG2  GLU   7           HG2      GLU   7  11.512  14.841  -3.923
   49    HG3  GLU   7           HG3      GLU   7  10.217  15.702  -3.073
   50    HA   PRO   8           HA       PRO   8  10.206  10.899  -6.012
   51    HB2  PRO   8           HB2      PRO   8   9.094  12.262  -8.079
   52    HB3  PRO   8           HB3      PRO   8   8.110  11.432  -6.834
   53    HG2  PRO   8           HG2      PRO   8   8.854  14.371  -6.958
   54    HG3  PRO   8           HG3      PRO   8   7.240  13.642  -6.658
   55    HD2  PRO   8           HD2      PRO   8   8.869  14.486  -4.614
   56    HD3  PRO   8           HD3      PRO   8   7.808  13.053  -4.448
   57    H    LYS   9           H        LYS   9  11.825  10.675  -7.415
   58    HA   LYS   9           HA       LYS   9  13.441  13.025  -8.268
   59    HB2  LYS   9           HB2      LYS   9  14.325  10.352  -7.071
   60    HB3  LYS   9           HB3      LYS   9  15.451  11.396  -7.906
   61    HG2  LYS   9           HG2      LYS   9  13.902  12.134  -5.391
   62    HG3  LYS   9           HG3      LYS   9  15.600  11.676  -5.488
   63    HD2  LYS   9           HD2      LYS   9  16.035  13.682  -6.936
   64    HD3  LYS   9           HD3      LYS   9  14.348  14.176  -6.730
   65    HE2  LYS   9           HE2      LYS   9  14.673  14.138  -4.230
   66    HE3  LYS   9           HE3      LYS   9  16.386  13.783  -4.484
   67    HZ1  LYS   9           HZ1      LYS   9  14.978  16.244  -5.397
   68    HZ2  LYS   9           HZ2      LYS   9  15.976  16.152  -4.119
   69    HZ3  LYS   9           HZ3      LYS   9  16.577  15.941  -5.629
   70    HA   PRO  10           HA       PRO  10  13.542  11.939 -12.415
   71    HB2  PRO  10           HB2      PRO  10  16.504  11.341 -12.116
   72    HB3  PRO  10           HB3      PRO  10  15.675  12.180 -13.466
   73    HG2  PRO  10           HG2      PRO  10  16.828  13.657 -11.556
   74    HG3  PRO  10           HG3      PRO  10  15.151  14.059 -12.061
   75    HD2  PRO  10           HD2      PRO  10  16.083  12.517  -9.639
   76    HD3  PRO  10           HD3      PRO  10  14.816  13.776  -9.762
   77    H    GLY  11           H        GLY  11  12.679  10.191 -13.347
   78    HA2  GLY  11           HA2      GLY  11  12.652   8.053 -14.303
   79    HA3  GLY  11           HA3      GLY  11  13.941   7.513 -13.202
   80    H    ASP  12           H        ASP  12  11.838   8.935 -11.105
   81    HA   ASP  12           HA       ASP  12  10.946   6.414 -10.133
   82    HB2  ASP  12           HB2      ASP  12  10.299   9.260  -9.325
   83    HB3  ASP  12           HB3      ASP  12   9.590   7.871  -8.530
   84    H    LEU  13           H        LEU  13   9.000   5.486  -9.872
   85    HA   LEU  13           HA       LEU  13   6.771   6.225 -11.695
   86    HB2  LEU  13           HB2      LEU  13   7.243   3.893  -9.759
   87    HB3  LEU  13           HB3      LEU  13   5.749   4.143 -10.634
   88    HG   LEU  13           HG       LEU  13   6.829   2.449 -11.772
   89   HD11  LEU  13          HD11      LEU  13   7.551   4.908 -13.399
   90   HD12  LEU  13          HD12      LEU  13   7.120   3.291 -13.995
   91   HD13  LEU  13          HD13      LEU  13   5.903   4.305 -13.184
   92   HD21  LEU  13          HD21      LEU  13   9.422   4.033 -11.933
   93   HD22  LEU  13          HD22      LEU  13   9.095   2.657 -10.851
   94   HD23  LEU  13          HD23      LEU  13   9.104   2.422 -12.602
   95    H    ILE  14           H        ILE  14   5.138   7.497 -10.985
   96    HA   ILE  14           HA       ILE  14   4.746   7.818  -8.015
   97    HB   ILE  14           HB       ILE  14   4.079   9.764 -10.260
   98   HG12  ILE  14          HG12      ILE  14   6.070   9.892  -7.945
   99   HG13  ILE  14          HG13      ILE  14   6.475   9.760  -9.660
  100   HG21  ILE  14          HG21      ILE  14   2.317   9.717  -8.494
  101   HG22  ILE  14          HG22      ILE  14   3.560   9.961  -7.256
  102   HG23  ILE  14          HG23      ILE  14   3.191  11.227  -8.454
  103   HD11  ILE  14          HD11      ILE  14   5.211  12.165  -8.279
  104   HD12  ILE  14          HD12      ILE  14   6.816  12.038  -8.988
  105   HD13  ILE  14          HD13      ILE  14   5.390  11.996 -10.047
  106    H    GLU  15           H        GLU  15   2.933   7.110  -7.223
  107    HA   GLU  15           HA       GLU  15   0.711   6.193  -8.993
  108    HB2  GLU  15           HB2      GLU  15   1.924   4.474  -7.686
  109    HB3  GLU  15           HB3      GLU  15   1.559   5.321  -6.184
  110    HG2  GLU  15           HG2      GLU  15  -0.764   4.838  -6.348
  111    HG3  GLU  15           HG3      GLU  15  -0.656   4.405  -8.048
  112    H    ILE  16           H        ILE  16  -1.145   7.266  -8.790
  113    HA   ILE  16           HA       ILE  16  -1.410   9.418  -6.723
  114    HB   ILE  16           HB       ILE  16  -2.320   9.396  -9.637
  115   HG12  ILE  16          HG12      ILE  16  -0.010  10.935  -8.368
  116   HG13  ILE  16          HG13      ILE  16   0.160   9.532  -9.424
  117   HG21  ILE  16          HG21      ILE  16  -2.827  11.829  -9.217
  118   HG22  ILE  16          HG22      ILE  16  -3.804  10.747  -8.235
  119   HG23  ILE  16          HG23      ILE  16  -2.412  11.587  -7.513
  120   HD11  ILE  16          HD11      ILE  16  -0.925  10.770 -11.279
  121   HD12  ILE  16          HD12      ILE  16  -0.889  12.239 -10.268
  122   HD13  ILE  16          HD13      ILE  16   0.622  11.444 -10.736
  123    H    PHE  17           H        PHE  17  -3.236   9.415  -5.555
  124    HA   PHE  17           HA       PHE  17  -5.298   7.328  -6.110
  125    HB2  PHE  17           HB2      PHE  17  -4.651   8.650  -3.460
  126    HB3  PHE  17           HB3      PHE  17  -5.626   7.222  -3.732
  127    HD1  PHE  17           HD1      PHE  17  -4.456   5.091  -4.624
  128    HD2  PHE  17           HD2      PHE  17  -2.313   8.496  -3.067
  129    HE1  PHE  17           HE1      PHE  17  -2.455   3.670  -4.255
  130    HE2  PHE  17           HE2      PHE  17  -0.320   7.069  -2.698
  131    HZ   PHE  17           HZ       PHE  17  -0.385   4.659  -3.288
  132    H    ARG  18           H        ARG  18  -7.385   7.824  -6.211
  133    HA   ARG  18           HA       ARG  18  -8.382  10.581  -5.601
  134    HB2  ARG  18           HB2      ARG  18  -9.192   8.904  -8.019
  135    HB3  ARG  18           HB3      ARG  18  -9.690  10.555  -7.632
  136    HG2  ARG  18           HG2      ARG  18  -7.222  11.214  -7.863
  137    HG3  ARG  18           HG3      ARG  18  -6.932   9.592  -8.498
  138    HD2  ARG  18           HD2      ARG  18  -7.184  11.042 -10.381
  139    HD3  ARG  18           HD3      ARG  18  -8.637  10.033 -10.286
  140    HE   ARG  18           HE       ARG  18  -8.841  12.621  -8.913
  141   HH11  ARG  18          HH11      ARG  18  -9.291  11.097 -12.083
  142   HH12  ARG  18          HH12      ARG  18 -10.396  12.331 -12.611
  143   HH21  ARG  18          HH21      ARG  18 -10.298  14.150  -9.654
  144   HH22  ARG  18          HH22      ARG  18 -10.947  14.037 -11.260
  145    H    LEU  19           H        LEU  19 -10.919  10.491  -5.583
  146    HA   LEU  19           HA       LEU  19 -11.851   8.427  -3.819
  147    HB2  LEU  19           HB2      LEU  19 -12.699  10.723  -3.762
  148    HB3  LEU  19           HB3      LEU  19 -13.319  10.567  -5.409
  149    HG   LEU  19           HG       LEU  19 -14.945   8.853  -4.655
  150   HD11  LEU  19          HD11      LEU  19 -13.819   9.400  -1.865
  151   HD12  LEU  19          HD12      LEU  19 -15.318   8.510  -2.210
  152   HD13  LEU  19          HD13      LEU  19 -13.769   7.852  -2.742
  153   HD21  LEU  19          HD21      LEU  19 -16.397  10.377  -3.387
  154   HD22  LEU  19          HD22      LEU  19 -15.005  11.416  -3.002
  155   HD23  LEU  19          HD23      LEU  19 -15.564  11.242  -4.682
  156    H    GLY  20           H        GLY  20 -11.819   6.373  -4.600
  157    HA2  GLY  20           HA2      GLY  20 -12.815   4.526  -5.582
  158    HA3  GLY  20           HA3      GLY  20 -13.791   5.589  -6.614
  159    H    TYR  21           H        TYR  21 -10.465   6.345  -6.919
  160    HA   TYR  21           HA       TYR  21  -9.938   4.499  -9.118
  161    HB2  TYR  21           HB2      TYR  21 -10.209   7.500  -9.568
  162    HB3  TYR  21           HB3      TYR  21  -9.562   6.376 -10.742
  163    HD1  TYR  21           HD1      TYR  21 -11.035   4.661 -11.825
  164    HD2  TYR  21           HD2      TYR  21 -12.587   7.812  -9.337
  165    HE1  TYR  21           HE1      TYR  21 -13.298   4.289 -12.784
  166    HE2  TYR  21           HE2      TYR  21 -14.859   7.450 -10.291
  167    HH   TYR  21           HH       TYR  21 -15.518   4.942 -12.781
  168    H    GLU  22           H        GLU  22  -7.781   4.846 -10.128
  169    HA   GLU  22           HA       GLU  22  -5.855   6.437  -8.535
  170    HB2  GLU  22           HB2      GLU  22  -5.183   3.643  -9.519
  171    HB3  GLU  22           HB3      GLU  22  -4.176   4.727  -8.590
  172    HG2  GLU  22           HG2      GLU  22  -4.842   3.158  -7.022
  173    HG3  GLU  22           HG3      GLU  22  -5.894   4.536  -6.698
  174    H    HIS  23           H        HIS  23  -3.863   6.885  -9.757
  175    HA   HIS  23           HA       HIS  23  -3.797   6.237 -12.609
  176    HB2  HIS  23           HB2      HIS  23  -5.165   8.421 -12.277
  177    HB3  HIS  23           HB3      HIS  23  -3.635   9.179 -11.845
  178    HD1  HIS  23           HD1      HIS  23  -2.215   9.967 -13.963
  179    HD2  HIS  23           HD2      HIS  23  -5.311   7.242 -14.797
  180    HE1  HIS  23           HE1      HIS  23  -2.311   9.732 -16.495
  181    H    TRP  24           H        TRP  24  -1.624   7.168 -13.607
  182    HA   TRP  24           HA       TRP  24   0.571   7.096 -11.573
  183    HB2  TRP  24           HB2      TRP  24   0.232   5.185 -13.914
  184    HB3  TRP  24           HB3      TRP  24   1.702   5.370 -12.973
  185    HD1  TRP  24           HD1      TRP  24   1.878   4.251 -10.653
  186    HE1  TRP  24           HE1      TRP  24   0.431   2.605  -9.313
  187    HE3  TRP  24           HE3      TRP  24  -2.384   4.458 -13.463
  188    HZ2  TRP  24           HZ2      TRP  24  -2.233   1.499  -9.465
  189    HZ3  TRP  24           HZ3      TRP  24  -4.391   3.149 -12.813
  190    HH2  TRP  24           HH2      TRP  24  -4.319   1.656 -10.824
  191    H    ALA  25           H        ALA  25   2.612   7.739 -12.278
  192    HA   ALA  25           HA       ALA  25   2.938   8.960 -14.961
  193    HB1  ALA  25           HB1      ALA  25   3.527  11.153 -14.035
  194    HB2  ALA  25           HB2      ALA  25   1.869  10.732 -13.569
  195    HB3  ALA  25           HB3      ALA  25   3.186  10.587 -12.386
  196    H    LEU  26           H        LEU  26   5.094   9.499 -15.492
  197    HA   LEU  26           HA       LEU  26   7.254   8.237 -13.853
  198    HB2  LEU  26           HB2      LEU  26   6.741   7.595 -16.325
  199    HB3  LEU  26           HB3      LEU  26   7.348   9.172 -16.768
  200    HG   LEU  26           HG       LEU  26   9.011   7.527 -17.168
  201   HD11  LEU  26          HD11      LEU  26  10.934   8.361 -16.034
  202   HD12  LEU  26          HD12      LEU  26   9.806   9.711 -16.230
  203   HD13  LEU  26          HD13      LEU  26   9.979   8.911 -14.648
  204   HD21  LEU  26          HD21      LEU  26   8.198   5.786 -15.594
  205   HD22  LEU  26          HD22      LEU  26   9.948   6.027 -15.481
  206   HD23  LEU  26          HD23      LEU  26   8.889   6.702 -14.235
  207    H    TYR  27           H        TYR  27   8.413   9.703 -12.629
  208    HA   TYR  27           HA       TYR  27   8.144  12.596 -13.145
  209    HB2  TYR  27           HB2      TYR  27   8.002  11.593 -10.886
  210    HB3  TYR  27           HB3      TYR  27   9.676  11.082 -11.010
  211    HD1  TYR  27           HD2      TYR  27  11.495  12.733 -10.968
  212    HD2  TYR  27           HD1      TYR  27   7.406  13.950 -10.478
  213    HE1  TYR  27           HE2      TYR  27  12.260  14.858  -9.900
  214    HE2  TYR  27           HE1      TYR  27   8.155  16.104  -9.490
  215    HH   TYR  27           HH       TYR  27   9.974  17.345  -8.724
  216    H    ILE  28           H        ILE  28   9.594  13.924 -14.107
  217    HA   ILE  28           HA       ILE  28  12.116  12.610 -15.115
  218    HB   ILE  28           HB       ILE  28  11.927  13.906 -17.110
  219   HG12  ILE  28          HG12      ILE  28   9.266  15.025 -16.156
  220   HG13  ILE  28          HG13      ILE  28  10.783  15.933 -16.081
  221   HG21  ILE  28          HG21      ILE  28  10.097  12.743 -18.130
  222   HG22  ILE  28          HG22      ILE  28  10.702  11.699 -16.848
  223   HG23  ILE  28          HG23      ILE  28   9.202  12.616 -16.608
  224   HD11  ILE  28          HD11      ILE  28   9.420  14.889 -18.597
  225   HD12  ILE  28          HD12      ILE  28   9.604  16.571 -18.077
  226   HD13  ILE  28          HD13      ILE  28  11.036  15.636 -18.558
  227    H    GLY  29           H        GLY  29  11.407  14.796 -12.805
  228    HA2  GLY  29           HA2      GLY  29  13.115  16.004 -11.603
  229    HA3  GLY  29           HA3      GLY  29  14.047  16.186 -13.092
  230    H    ASP  30           H        ASP  30  13.708  18.321 -11.555
  231    HA   ASP  30           HA       ASP  30  13.150  20.500 -11.514
  232    HB2  ASP  30           HB2      ASP  30  13.975  20.164 -13.883
  233    HB3  ASP  30           HB3      ASP  30  12.292  20.157 -14.407
  234    H    GLY  31           H        GLY  31  10.944  18.501 -10.933
  235    HA2  GLY  31           HA2      GLY  31   8.807  18.781  -9.990
  236    HA3  GLY  31           HA3      GLY  31   8.684  20.392 -10.726
  237    H    TYR  32           H        TYR  32   9.621  18.274 -13.180
  238    HA   TYR  32           HA       TYR  32   6.834  18.198 -14.178
  239    HB2  TYR  32           HB2      TYR  32   9.549  18.101 -15.511
  240    HB3  TYR  32           HB3      TYR  32   8.108  17.578 -16.362
  241    HD1  TYR  32           HD1      TYR  32   9.723  20.523 -14.772
  242    HD2  TYR  32           HD2      TYR  32   6.450  19.088 -17.179
  243    HE1  TYR  32           HE1      TYR  32   9.136  22.864 -15.369
  244    HE2  TYR  32           HE2      TYR  32   5.851  21.432 -17.772
  245    HH   TYR  32           HH       TYR  32   6.374  23.670 -17.522
  246    H    VAL  33           H        VAL  33   5.940  16.498 -15.277
  247    HA   VAL  33           HA       VAL  33   7.018  13.748 -14.818
  248    HB   VAL  33           HB       VAL  33   4.635  13.017 -14.428
  249   HG11  VAL  33          HG11      VAL  33   4.537  13.616 -12.050
  250   HG12  VAL  33          HG12      VAL  33   6.145  13.090 -12.551
  251   HG13  VAL  33          HG13      VAL  33   5.823  14.821 -12.301
  252   HG21  VAL  33          HG21      VAL  33   2.937  14.547 -13.681
  253   HG22  VAL  33          HG22      VAL  33   4.048  15.925 -13.766
  254   HG23  VAL  33          HG23      VAL  33   3.503  15.127 -15.256
  255    H    ILE  34           H        ILE  34   6.212  12.174 -16.233
  256    HA   ILE  34           HA       ILE  34   4.701  13.130 -18.641
  257    HB   ILE  34           HB       ILE  34   7.055  11.223 -18.447
  258   HG12  ILE  34          HG12      ILE  34   6.341  13.581 -20.264
  259   HG13  ILE  34          HG13      ILE  34   7.393  13.669 -18.858
  260   HG21  ILE  34          HG21      ILE  34   5.315   9.981 -19.680
  261   HG22  ILE  34          HG22      ILE  34   4.971  11.404 -20.695
  262   HG23  ILE  34          HG23      ILE  34   6.518  10.542 -20.828
  263   HD11  ILE  34          HD11      ILE  34   9.002  12.130 -19.973
  264   HD12  ILE  34          HD12      ILE  34   7.984  12.155 -21.425
  265   HD13  ILE  34          HD13      ILE  34   8.739  13.644 -20.855
  266    H    HIS  35           H        HIS  35   2.869  11.982 -19.132
  267    HA   HIS  35           HA       HIS  35   2.056   9.647 -17.517
  268    HB2  HIS  35           HB2      HIS  35   0.260  10.937 -16.385
  269    HB3  HIS  35           HB3      HIS  35   1.834  11.597 -15.964
  270    HD1  HIS  35           HD1      HIS  35  -1.384  12.593 -17.761
  271    HD2  HIS  35           HD2      HIS  35   2.546  13.986 -17.184
  272    HE1  HIS  35           HE1      HIS  35  -1.347  15.014 -18.552
  273    H    LEU  36           H        LEU  36  -0.433   9.277 -18.002
  274    HA   LEU  36           HA       LEU  36  -0.965   9.871 -20.869
  275    HB2  LEU  36           HB2      LEU  36  -2.232   8.009 -18.815
  276    HB3  LEU  36           HB3      LEU  36  -2.984   8.325 -20.370
  277    HG   LEU  36           HG       LEU  36  -0.176   7.201 -20.088
  278   HD11  LEU  36          HD11      LEU  36  -1.768   5.632 -19.149
  279   HD12  LEU  36          HD12      LEU  36  -2.830   5.778 -20.567
  280   HD13  LEU  36          HD13      LEU  36  -1.231   5.022 -20.722
  281   HD21  LEU  36          HD21      LEU  36  -2.051   7.348 -22.490
  282   HD22  LEU  36          HD22      LEU  36  -0.569   8.294 -22.262
  283   HD23  LEU  36          HD23      LEU  36  -0.467   6.544 -22.447
  284    H    ALA  37           H        ALA  37  -2.765  10.893 -21.588
  285    HA   ALA  37           HA       ALA  37  -4.503  12.383 -19.649
  286    HB1  ALA  37           HB1      ALA  37  -3.676  13.034 -22.506
  287    HB2  ALA  37           HB2      ALA  37  -4.851  13.960 -21.539
  288    HB3  ALA  37           HB3      ALA  37  -3.157  13.861 -21.015
  289    HA   PRO  38           HA       PRO  38  -7.047   9.107 -21.402
  290    HB2  PRO  38           HB2      PRO  38  -9.074   9.006 -19.572
  291    HB3  PRO  38           HB3      PRO  38  -7.399   8.476 -19.218
  292    HG2  PRO  38           HG2      PRO  38  -8.673  11.156 -18.590
  293    HG3  PRO  38           HG3      PRO  38  -7.753  10.080 -17.490
  294    HD2  PRO  38           HD2      PRO  38  -6.581  12.178 -18.779
  295    HD3  PRO  38           HD3      PRO  38  -5.703  10.650 -18.482
  296    HA   PRO  39           HA       PRO  39 -10.320  11.134 -23.724
  297    HB2  PRO  39           HB2      PRO  39 -11.796   9.031 -24.605
  298    HB3  PRO  39           HB3      PRO  39 -10.106   9.288 -25.138
  299    HG2  PRO  39           HG2      PRO  39 -11.094   7.481 -22.903
  300    HG3  PRO  39           HG3      PRO  39  -9.997   7.054 -24.258
  301    HD2  PRO  39           HD2      PRO  39  -9.041   7.764 -21.809
  302    HD3  PRO  39           HD3      PRO  39  -8.204   8.244 -23.312
  303    H    SER  40           H        SER  40 -11.010   9.358 -20.809
  304    HA   SER  40           HA       SER  40 -12.557   9.617 -19.172
  305    HB2  SER  40           HB2      SER  40 -13.553  12.050 -20.690
  306    HB3  SER  40           HB3      SER  40 -13.854  11.647 -19.001
  307    HG   SER  40           HG       SER  40 -11.310  12.228 -20.181
  308    H    GLU  41           H        GLU  41 -13.383   8.402 -22.005
  309    HA   GLU  41           HA       GLU  41 -16.125   7.645 -21.149
  310    HB2  GLU  41           HB2      GLU  41 -16.363   9.525 -22.705
  311    HB3  GLU  41           HB3      GLU  41 -15.366   8.698 -23.909
  312    HG2  GLU  41           HG2      GLU  41 -17.049   6.959 -24.181
  313    HG3  GLU  41           HG3      GLU  41 -17.983   7.587 -22.814
  314    H    TYR  42           H        TYR  42 -16.234   5.512 -21.058
  315    HA   TYR  42           HA       TYR  42 -14.152   3.849 -22.026
  316    HB2  TYR  42           HB2      TYR  42 -16.822   3.065 -20.836
  317    HB3  TYR  42           HB3      TYR  42 -15.450   1.995 -21.061
  318    HD1  TYR  42           HD2      TYR  42 -13.196   2.653 -19.903
  319    HD2  TYR  42           HD1      TYR  42 -17.036   4.294 -18.811
  320    HE1  TYR  42           HE2      TYR  42 -12.279   3.323 -17.703
  321    HE2  TYR  42           HE1      TYR  42 -16.120   4.967 -16.603
  322    HH   TYR  42           HH       TYR  42 -12.704   4.344 -15.676
  323    HA   PRO  43           HA       PRO  43 -16.950   2.073 -25.451
  324    HB2  PRO  43           HB2      PRO  43 -19.117   3.461 -26.348
  325    HB3  PRO  43           HB3      PRO  43 -19.194   2.300 -24.988
  326    HG2  PRO  43           HG2      PRO  43 -18.900   5.316 -24.849
  327    HG3  PRO  43           HG3      PRO  43 -20.052   4.274 -23.947
  328    HD2  PRO  43           HD2      PRO  43 -17.708   5.111 -22.845
  329    HD3  PRO  43           HD3      PRO  43 -18.331   3.476 -22.514
  330    H    GLY  44           H        GLY  44 -16.987   2.588 -27.809
  331    HA2  GLY  44           HA2      GLY  44 -14.854   4.401 -28.463
  332    HA3  GLY  44           HA3      GLY  44 -15.853   3.505 -29.624
  333    H    ALA  45           H        ALA  45 -18.291   4.896 -28.408
  334    HA   ALA  45           HA       ALA  45 -18.117   7.727 -28.783
  335    HB1  ALA  45           HB1      ALA  45 -19.388   7.872 -30.914
  336    HB2  ALA  45           HB2      ALA  45 -17.858   7.057 -31.166
  337    HB3  ALA  45           HB3      ALA  45 -19.331   6.087 -31.057
  338    H    GLY  46           H        GLY  46 -20.743   8.304 -29.451
  339    HA2  GLY  46           HA2      GLY  46 -22.198   7.712 -27.040
  340    HA3  GLY  46           HA3      GLY  46 -22.814   8.578 -28.453
  341    H    SER  47           H        SER  47 -24.682   7.235 -27.338
  342    HA   SER  47           HA       SER  47 -24.811   4.440 -27.457
  343    HB2  SER  47           HB2      SER  47 -27.267   4.771 -27.179
  344    HB3  SER  47           HB3      SER  47 -26.263   5.696 -26.052
  345    HG   SER  47           HG       SER  47 -27.977   6.982 -26.953
  346    H    SER  48           H        SER  48 -25.744   6.685 -30.085
  347    HA   SER  48           HA       SER  48 -26.593   4.456 -31.830
  348    HB2  SER  48           HB2      SER  48 -25.955   7.347 -32.536
  349    HB3  SER  48           HB3      SER  48 -26.778   6.165 -33.563
  350    HG   SER  48           HG       SER  48 -28.537   6.178 -32.101
  351    H    SER  49           H        SER  49 -23.732   6.658 -31.682
  352    HA   SER  49           HA       SER  49 -22.492   5.480 -33.988
  353    HB2  SER  49           HB2      SER  49 -21.357   7.335 -31.877
  354    HB3  SER  49           HB3      SER  49 -20.647   7.006 -33.470
  355    HG   SER  49           HG       SER  49 -21.921   8.950 -33.478
  356    H    VAL  50           H        VAL  50 -22.284   4.513 -30.622
  357    HA   VAL  50           HA       VAL  50 -19.776   3.232 -30.673
  358    HB   VAL  50           HB       VAL  50 -21.176   3.547 -28.671
  359   HG11  VAL  50          HG11      VAL  50 -22.916   1.975 -28.042
  360   HG12  VAL  50          HG12      VAL  50 -23.347   2.730 -29.581
  361   HG13  VAL  50          HG13      VAL  50 -22.716   1.070 -29.553
  362   HG21  VAL  50          HG21      VAL  50 -20.467   1.577 -27.475
  363   HG22  VAL  50          HG22      VAL  50 -20.282   0.663 -28.982
  364   HG23  VAL  50          HG23      VAL  50 -19.212   2.042 -28.637
  365    H    PHE  51           H        PHE  51 -22.762   2.208 -32.247
  366    HA   PHE  51           HA       PHE  51 -21.843  -0.458 -32.992
  367    HB2  PHE  51           HB2      PHE  51 -24.224   0.196 -32.878
  368    HB3  PHE  51           HB3      PHE  51 -23.975   1.384 -34.155
  369    HD1  PHE  51           HD1      PHE  51 -23.900  -2.286 -33.402
  370    HD2  PHE  51           HD2      PHE  51 -24.038   0.743 -36.470
  371    HE1  PHE  51           HE1      PHE  51 -24.389  -4.030 -35.102
  372    HE2  PHE  51           HE2      PHE  51 -24.518  -1.004 -38.169
  373    HZ   PHE  51           HZ       PHE  51 -24.698  -3.392 -37.490
  374    H    SER  52           H        SER  52 -21.579   2.806 -34.385
  375    HA   SER  52           HA       SER  52 -20.447   1.977 -36.930
  376    HB2  SER  52           HB2      SER  52 -20.306   4.727 -35.644
  377    HB3  SER  52           HB3      SER  52 -20.256   4.331 -37.361
  378    HG   SER  52           HG       SER  52 -22.466   3.806 -37.280
  379    H    VAL  53           H        VAL  53 -19.079   3.012 -33.792
  380    HA   VAL  53           HA       VAL  53 -16.419   2.083 -34.707
  381    HB   VAL  53           HB       VAL  53 -16.432   4.446 -35.295
  382   HG11  VAL  53          HG11      VAL  53 -18.024   5.341 -33.624
  383   HG12  VAL  53          HG12      VAL  53 -16.806   5.106 -32.347
  384   HG13  VAL  53          HG13      VAL  53 -16.507   6.245 -33.665
  385   HG21  VAL  53          HG21      VAL  53 -14.349   5.095 -34.245
  386   HG22  VAL  53          HG22      VAL  53 -14.604   3.963 -32.908
  387   HG23  VAL  53          HG23      VAL  53 -14.321   3.351 -34.555
  388    H    LEU  54           H        LEU  54 -15.247   1.092 -33.261
  389    HA   LEU  54           HA       LEU  54 -16.010   1.131 -30.368
  390    HB2  LEU  54           HB2      LEU  54 -15.122  -1.165 -32.169
  391    HB3  LEU  54           HB3      LEU  54 -15.182  -1.295 -30.418
  392    HG   LEU  54           HG       LEU  54 -17.621  -0.671 -32.143
  393   HD11  LEU  54          HD11      LEU  54 -16.712  -3.306 -30.901
  394   HD12  LEU  54          HD12      LEU  54 -18.256  -3.024 -31.740
  395   HD13  LEU  54          HD13      LEU  54 -16.732  -2.916 -32.636
  396   HD21  LEU  54          HD21      LEU  54 -17.343  -1.467 -29.202
  397   HD22  LEU  54          HD22      LEU  54 -17.874   0.117 -29.813
  398   HD23  LEU  54          HD23      LEU  54 -18.878  -1.314 -30.082
  399    H    SER  55           H        SER  55 -14.304   0.557 -28.900
  400    HA   SER  55           HA       SER  55 -12.259   0.745 -27.932
  401    HB2  SER  55           HB2      SER  55 -11.549  -0.649 -29.955
  402    HB3  SER  55           HB3      SER  55 -10.873   0.866 -30.601
  403    HG   SER  55           HG       SER  55  -9.344  -0.381 -29.332
  404    H    ASN  56           H        ASN  56 -10.226   2.175 -27.830
  405    HA   ASN  56           HA       ASN  56 -10.157   4.851 -28.682
  406    HB2  ASN  56           HB2      ASN  56 -11.070   5.986 -26.596
  407    HB3  ASN  56           HB3      ASN  56 -12.262   5.356 -27.703
  408   HD21  ASN  56          HD22      ASN  56 -13.601   3.607 -27.045
  409   HD22  ASN  56          HD21      ASN  56 -13.633   3.067 -25.368
  410    H    SER  57           H        SER  57  -8.707   6.211 -27.408
  411    HA   SER  57           HA       SER  57  -6.821   4.707 -25.641
  412    HB2  SER  57           HB2      SER  57  -6.188   6.013 -28.308
  413    HB3  SER  57           HB3      SER  57  -4.964   5.548 -27.121
  414    HG   SER  57           HG       SER  57  -5.435   3.918 -28.807
  415    H    ALA  58           H        ALA  58  -5.338   5.949 -24.504
  416    HA   ALA  58           HA       ALA  58  -6.014   8.820 -24.020
  417    HB1  ALA  58           HB1      ALA  58  -5.950   7.240 -22.074
  418    HB2  ALA  58           HB2      ALA  58  -4.298   6.777 -22.503
  419    HB3  ALA  58           HB3      ALA  58  -4.644   8.436 -21.976
  420    H    GLU  59           H        GLU  59  -4.236  10.388 -24.085
  421    HA   GLU  59           HA       GLU  59  -2.050   9.584 -25.967
  422    HB2  GLU  59           HB2      GLU  59  -3.553  11.603 -26.459
  423    HB3  GLU  59           HB3      GLU  59  -2.710  12.428 -25.130
  424    HG2  GLU  59           HG2      GLU  59  -0.529  11.981 -26.282
  425    HG3  GLU  59           HG3      GLU  59  -1.385  11.180 -27.598
  426    H    VAL  60           H        VAL  60   0.112   9.644 -25.332
  427    HA   VAL  60           HA       VAL  60   0.763  10.106 -22.498
  428    HB   VAL  60           HB       VAL  60   2.620   9.749 -24.854
  429   HG11  VAL  60          HG11      VAL  60   3.736  10.774 -22.868
  430   HG12  VAL  60          HG12      VAL  60   3.103   9.489 -21.848
  431   HG13  VAL  60          HG13      VAL  60   4.306   9.127 -23.118
  432   HG21  VAL  60          HG21      VAL  60   1.205   7.722 -24.552
  433   HG22  VAL  60          HG22      VAL  60   2.891   7.408 -24.137
  434   HG23  VAL  60          HG23      VAL  60   1.702   7.648 -22.849
  435    H    LYS  61           H        LYS  61   1.301  12.018 -21.635
  436    HA   LYS  61           HA       LYS  61   2.291  14.274 -23.323
  437    HB2  LYS  61           HB2      LYS  61  -0.130  14.290 -21.472
  438    HB3  LYS  61           HB3      LYS  61   0.686  15.761 -22.010
  439    HG2  LYS  61           HG2      LYS  61   0.262  15.112 -24.391
  440    HG3  LYS  61           HG3      LYS  61  -0.683  13.717 -23.828
  441    HD2  LYS  61           HD2      LYS  61  -2.222  15.196 -22.634
  442    HD3  LYS  61           HD3      LYS  61  -1.287  16.621 -23.087
  443    HE2  LYS  61           HE2      LYS  61  -2.874  14.793 -24.956
  444    HE3  LYS  61           HE3      LYS  61  -3.361  16.385 -24.383
  445    HZ1  LYS  61           HZ1      LYS  61  -1.271  17.234 -25.539
  446    HZ2  LYS  61           HZ2      LYS  61  -1.184  15.747 -26.281
  447    HZ3  LYS  61           HZ3      LYS  61  -2.470  16.708 -26.522
  448    H    ARG  62           H        ARG  62   3.195  16.046 -22.102
  449    HA   ARG  62           HA       ARG  62   4.508  15.269 -19.520
  450    HB2  ARG  62           HB2      ARG  62   6.006  15.642 -21.487
  451    HB3  ARG  62           HB3      ARG  62   5.343  17.263 -21.674
  452    HG2  ARG  62           HG2      ARG  62   6.251  17.890 -19.438
  453    HG3  ARG  62           HG3      ARG  62   6.882  16.247 -19.240
  454    HD2  ARG  62           HD2      ARG  62   8.689  17.726 -19.943
  455    HD3  ARG  62           HD3      ARG  62   8.344  16.579 -21.227
  456    HE   ARG  62           HE       ARG  62   7.543  18.282 -22.593
  457   HH11  ARG  62          HH11      ARG  62   8.257  19.738 -19.423
  458   HH12  ARG  62          HH12      ARG  62   8.090  21.345 -20.044
  459   HH21  ARG  62          HH21      ARG  62   7.330  20.385 -23.292
  460   HH22  ARG  62          HH22      ARG  62   7.581  21.704 -22.197
  461    H    GLU  63           H        GLU  63   4.191  16.610 -17.717
  462    HA   GLU  63           HA       GLU  63   3.568  19.413 -17.961
  463    HB2  GLU  63           HB2      GLU  63   1.311  17.583 -17.765
  464    HB3  GLU  63           HB3      GLU  63   1.395  18.560 -16.314
  465    HG2  GLU  63           HG2      GLU  63   1.499  19.836 -19.062
  466    HG3  GLU  63           HG3      GLU  63  -0.014  19.389 -18.275
  467    H    ARG  64           H        ARG  64   3.032  20.292 -15.631
  468    HA   ARG  64           HA       ARG  64   5.179  19.461 -13.866
  469    HB2  ARG  64           HB2      ARG  64   2.907  21.430 -13.516
  470    HB3  ARG  64           HB3      ARG  64   4.246  21.231 -12.378
  471    HG2  ARG  64           HG2      ARG  64   5.852  21.870 -14.177
  472    HG3  ARG  64           HG3      ARG  64   4.494  22.106 -15.289
  473    HD2  ARG  64           HD2      ARG  64   5.048  24.261 -14.526
  474    HD3  ARG  64           HD3      ARG  64   3.569  23.838 -13.672
  475    HE   ARG  64           HE       ARG  64   6.340  23.990 -12.583
  476   HH11  ARG  64          HH11      ARG  64   2.855  23.567 -11.716
  477   HH12  ARG  64          HH12      ARG  64   3.282  23.817 -10.021
  478   HH21  ARG  64          HH21      ARG  64   6.602  24.298 -10.350
  479   HH22  ARG  64          HH22      ARG  64   5.182  24.157  -9.319
  480    H    LEU  65           H        LEU  65   5.099  18.383 -11.926
  481    HA   LEU  65           HA       LEU  65   3.140  16.414 -11.430
  482    HB2  LEU  65           HB2      LEU  65   5.410  16.282 -10.531
  483    HB3  LEU  65           HB3      LEU  65   5.167  17.723  -9.559
  484    HG   LEU  65           HG       LEU  65   3.499  16.547  -8.159
  485   HD11  LEU  65          HD11      LEU  65   3.187  14.105  -8.329
  486   HD12  LEU  65          HD12      LEU  65   2.583  14.911  -9.782
  487   HD13  LEU  65          HD13      LEU  65   4.150  14.079  -9.821
  488   HD21  LEU  65          HD21      LEU  65   6.103  14.994  -8.467
  489   HD22  LEU  65          HD22      LEU  65   5.896  16.503  -7.548
  490   HD23  LEU  65          HD23      LEU  65   5.057  15.034  -7.029
  491    H    GLU  66           H        GLU  66   3.457  19.577  -9.690
  492    HA   GLU  66           HA       GLU  66   1.276  19.303  -7.970
  493    HB2  GLU  66           HB2      GLU  66   1.806  21.953  -9.349
  494    HB3  GLU  66           HB3      GLU  66   1.213  21.649  -7.718
  495    HG2  GLU  66           HG2      GLU  66   3.496  20.640  -7.215
  496    HG3  GLU  66           HG3      GLU  66   3.992  21.240  -8.818
  497    H    ASP  67           H        ASP  67   1.252  20.685 -11.265
  498    HA   ASP  67           HA       ASP  67  -1.515  21.202 -11.375
  499    HB2  ASP  67           HB2      ASP  67   0.538  20.800 -13.588
  500    HB3  ASP  67           HB3      ASP  67  -1.116  21.328 -13.868
  501    H    VAL  68           H        VAL  68   0.323  18.347 -12.499
  502    HA   VAL  68           HA       VAL  68  -1.912  16.891 -13.512
  503    HB   VAL  68           HB       VAL  68   0.839  16.020 -12.595
  504   HG11  VAL  68          HG11      VAL  68   0.430  13.838 -13.733
  505   HG12  VAL  68          HG12      VAL  68  -0.531  14.023 -12.263
  506   HG13  VAL  68          HG13      VAL  68  -1.294  14.242 -13.861
  507   HG21  VAL  68          HG21      VAL  68   0.645  17.376 -14.661
  508   HG22  VAL  68          HG22      VAL  68   1.186  15.735 -15.027
  509   HG23  VAL  68          HG23      VAL  68  -0.498  16.207 -15.338
  510    H    VAL  69           H        VAL  69  -0.409  16.906 -10.264
  511    HA   VAL  69           HA       VAL  69  -2.121  14.756  -9.337
  512    HB   VAL  69           HB       VAL  69   0.394  15.169  -8.918
  513   HG11  VAL  69          HG11      VAL  69   1.080  16.255  -6.920
  514   HG12  VAL  69          HG12      VAL  69   0.100  17.427  -7.817
  515   HG13  VAL  69          HG13      VAL  69  -0.590  16.587  -6.420
  516   HG21  VAL  69          HG21      VAL  69  -1.302  14.181  -6.616
  517   HG22  VAL  69          HG22      VAL  69  -0.900  13.275  -8.089
  518   HG23  VAL  69          HG23      VAL  69   0.392  13.783  -7.004
  519    H    GLY  70           H        GLY  70  -2.740  18.008  -9.557
  520    HA2  GLY  70           HA2      GLY  70  -3.577  18.886  -7.050
  521    HA3  GLY  70           HA3      GLY  70  -4.242  19.461  -8.575
  522    H    GLY  71           H        GLY  71  -5.280  18.624  -5.755
  523    HA2  GLY  71           HA2      GLY  71  -7.341  17.946  -4.924
  524    HA3  GLY  71           HA3      GLY  71  -7.860  17.523  -6.570
  525    H    CYS  72           H        CYS  72  -4.962  15.937  -6.013
  526    HA   CYS  72           HA       CYS  72  -6.301  13.394  -5.156
  527    HB2  CYS  72           HB2      CYS  72  -3.946  13.703  -7.074
  528    HB3  CYS  72           HB3      CYS  72  -4.881  12.251  -6.741
  529    HG   CYS  72           HG       CYS  72  -5.941  15.086  -8.145
  530    H    CYS  73           H        CYS  73  -4.821  11.815  -4.201
  531    HA   CYS  73           HA       CYS  73  -2.554  13.007  -2.625
  532    HB2  CYS  73           HB2      CYS  73  -4.448  11.884  -1.372
  533    HB3  CYS  73           HB3      CYS  73  -4.020  10.363  -2.176
  534    HG   CYS  73           HG       CYS  73  -3.088  10.389   0.305
  535    H    TYR  74           H        TYR  74  -0.561  11.508  -2.501
  536    HA   TYR  74           HA       TYR  74  -0.269   9.589  -4.653
  537    HB2  TYR  74           HB2      TYR  74   1.312  10.688  -6.032
  538    HB3  TYR  74           HB3      TYR  74  -0.064  11.742  -5.882
  539    HD1  TYR  74           HD2      TYR  74   0.090  13.765  -4.279
  540    HD2  TYR  74           HD1      TYR  74   3.511  11.411  -5.445
  541    HE1  TYR  74           HE2      TYR  74   1.592  15.643  -3.655
  542    HE2  TYR  74           HE1      TYR  74   5.020  13.290  -4.831
  543    HH   TYR  74           HH       TYR  74   3.776  16.392  -3.516
  544    H    ARG  75           H        ARG  75   1.825   8.641  -4.894
  545    HA   ARG  75           HA       ARG  75   3.794   8.826  -2.704
  546    HB2  ARG  75           HB2      ARG  75   1.856   7.404  -1.926
  547    HB3  ARG  75           HB3      ARG  75   2.200   6.283  -3.244
  548    HG2  ARG  75           HG2      ARG  75   4.455   5.868  -2.219
  549    HG3  ARG  75           HG3      ARG  75   4.029   6.973  -0.903
  550    HD2  ARG  75           HD2      ARG  75   2.584   4.390  -1.627
  551    HD3  ARG  75           HD3      ARG  75   3.724   4.590  -0.290
  552    HE   ARG  75           HE       ARG  75   2.060   6.430   0.499
  553   HH11  ARG  75          HH12      ARG  75   1.082   3.299  -0.846
  554   HH12  ARG  75          HH11      ARG  75  -0.472   3.355  -0.069
  555   HH21  ARG  75          HH21      ARG  75   0.040   6.437   1.462
  556   HH22  ARG  75          HH22      ARG  75  -1.043   5.099   1.230
  557    H    VAL  76           H        VAL  76   5.763   7.692  -3.249
  558    HA   VAL  76           HA       VAL  76   6.158   7.121  -6.146
  559    HB   VAL  76           HB       VAL  76   8.138   7.144  -3.839
  560   HG11  VAL  76          HG11      VAL  76   8.905   5.490  -5.480
  561   HG12  VAL  76          HG12      VAL  76   8.636   6.641  -6.804
  562   HG13  VAL  76          HG13      VAL  76   9.898   6.943  -5.596
  563   HG21  VAL  76          HG21      VAL  76   7.353   9.394  -4.532
  564   HG22  VAL  76          HG22      VAL  76   9.043   9.135  -4.979
  565   HG23  VAL  76          HG23      VAL  76   7.777   9.022  -6.216
  566    H    ASN  77           H        ASN  77   6.139   5.099  -6.961
  567    HA   ASN  77           HA       ASN  77   6.238   2.763  -5.105
  568    HB2  ASN  77           HB2      ASN  77   3.851   3.432  -5.593
  569    HB3  ASN  77           HB3      ASN  77   4.147   3.074  -7.298
  570   HD21  ASN  77          HD22      ASN  77   2.281   1.455  -6.853
  571   HD22  ASN  77          HD21      ASN  77   2.766  -0.102  -6.209
  572    H    ASN  78           H        ASN  78   8.468   2.915  -5.957
  573    HA   ASN  78           HA       ASN  78   9.008   2.097  -8.708
  574    HB2  ASN  78           HB2      ASN  78  10.740   2.486  -6.237
  575    HB3  ASN  78           HB3      ASN  78  11.390   1.929  -7.776
  576   HD21  ASN  78          HD22      ASN  78  12.309   4.289  -6.538
  577   HD22  ASN  78          HD21      ASN  78  11.910   5.605  -7.636
  578    H    SER  79           H        SER  79   7.510   0.172  -8.545
  579    HA   SER  79           HA       SER  79   8.036  -1.996  -6.818
  580    HB2  SER  79           HB2      SER  79   6.685  -2.124  -9.539
  581    HB3  SER  79           HB3      SER  79   6.461  -3.235  -8.176
  582    HG   SER  79           HG       SER  79   4.763  -1.675  -8.284
  583    H    LEU  80           H        LEU  80   9.212  -1.462 -10.147
  584    HA   LEU  80           HA       LEU  80  10.061  -4.182 -10.475
  585    HB2  LEU  80           HB2      LEU  80  10.913  -1.812 -12.179
  586    HB3  LEU  80           HB3      LEU  80  10.902  -3.529 -12.601
  587    HG   LEU  80           HG       LEU  80   8.471  -1.742 -12.228
  588   HD11  LEU  80          HD11      LEU  80   9.595  -3.222 -14.645
  589   HD12  LEU  80          HD12      LEU  80   8.128  -2.223 -14.616
  590   HD13  LEU  80          HD13      LEU  80   9.709  -1.471 -14.346
  591   HD21  LEU  80          HD21      LEU  80   7.133  -3.729 -12.925
  592   HD22  LEU  80          HD22      LEU  80   8.588  -4.742 -12.757
  593   HD23  LEU  80          HD23      LEU  80   7.885  -3.938 -11.338
  594    H    ASP  81           H        ASP  81  11.664  -1.709  -8.797
  595    HA   ASP  81           HA       ASP  81  14.419  -2.325  -9.245
  596    HB2  ASP  81           HB2      ASP  81  13.360  -0.432  -7.856
  597    HB3  ASP  81           HB3      ASP  81  13.073  -1.653  -6.596
  598    H    HIS  82           H        HIS  82  11.935  -3.942  -7.399
  599    HA   HIS  82           HA       HIS  82  13.673  -5.881  -6.049
  600    HB2  HIS  82           HB2      HIS  82  11.597  -4.922  -5.118
  601    HB3  HIS  82           HB3      HIS  82  10.666  -5.587  -6.448
  602    HD1  HIS  82           HD1      HIS  82  10.162  -8.250  -6.409
  603    HD2  HIS  82           HD2      HIS  82  12.285  -6.655  -3.134
  604    HE1  HIS  82           HE1      HIS  82  10.114 -10.029  -4.579
  605    H    GLU  83           H        GLU  83  12.405  -5.607  -9.231
  606    HA   GLU  83           HA       GLU  83  12.140  -8.537  -9.669
  607    HB2  GLU  83           HB2      GLU  83  11.246  -6.186 -11.393
  608    HB3  GLU  83           HB3      GLU  83  10.968  -7.898 -11.729
  609    HG2  GLU  83           HG2      GLU  83   9.832  -6.274  -9.422
  610    HG3  GLU  83           HG3      GLU  83   8.962  -6.904 -10.812
  611    H    TYR  84           H        TYR  84  13.771  -5.657 -10.997
  612    HA   TYR  84           HA       TYR  84  15.754  -7.433 -12.375
  613    HB2  TYR  84           HB2      TYR  84  14.819  -4.748 -13.414
  614    HB3  TYR  84           HB3      TYR  84  15.765  -5.967 -14.257
  615    HD1  TYR  84           HD1      TYR  84  14.614  -8.243 -14.800
  616    HD2  TYR  84           HD2      TYR  84  12.483  -4.738 -13.514
  617    HE1  TYR  84           HE1      TYR  84  12.473  -9.266 -15.559
  618    HE2  TYR  84           HE2      TYR  84  10.339  -5.751 -14.244
  619    HH   TYR  84           HH       TYR  84   9.308  -7.614 -15.189
  620    H    GLN  85           H        GLN  85  17.837  -6.464 -12.861
  621    HA   GLN  85           HA       GLN  85  19.050  -5.161 -10.617
  622    HB2  GLN  85           HB2      GLN  85  20.023  -5.863 -13.414
  623    HB3  GLN  85           HB3      GLN  85  21.076  -5.124 -12.217
  624    HG2  GLN  85           HG2      GLN  85  19.608  -7.764 -11.841
  625    HG3  GLN  85           HG3      GLN  85  21.301  -7.602 -12.290
  626   HE21  GLN  85          HE22      GLN  85  19.966  -8.865  -9.832
  627   HE22  GLN  85          HE21      GLN  85  20.764  -8.059  -8.490
  628    HA   PRO  86           HA       PRO  86  18.951  -0.774 -11.381
  629    HB2  PRO  86           HB2      PRO  86  21.960  -0.947 -11.640
  630    HB3  PRO  86           HB3      PRO  86  20.977   0.303 -10.807
  631    HG2  PRO  86           HG2      PRO  86  22.066  -1.707  -9.368
  632    HG3  PRO  86           HG3      PRO  86  20.355  -1.249  -9.078
  633    HD2  PRO  86           HD2      PRO  86  21.444  -3.566 -10.662
  634    HD3  PRO  86           HD3      PRO  86  20.036  -3.502  -9.549
  635    H    ARG  87           H        ARG  87  18.896   0.790 -12.961
  636    HA   ARG  87           HA       ARG  87  19.998   0.232 -15.636
  637    HB2  ARG  87           HB2      ARG  87  17.788   0.612 -16.706
  638    HB3  ARG  87           HB3      ARG  87  17.938  -0.896 -15.842
  639    HG2  ARG  87           HG2      ARG  87  16.533   1.553 -14.678
  640    HG3  ARG  87           HG3      ARG  87  15.733   0.379 -15.708
  641    HD2  ARG  87           HD2      ARG  87  15.265  -0.844 -13.898
  642    HD3  ARG  87           HD3      ARG  87  16.976  -1.215 -13.772
  643    HE   ARG  87           HE       ARG  87  16.300   1.353 -12.548
  644   HH11  ARG  87          HH21      ARG  87  16.423  -2.136 -11.854
  645   HH12  ARG  87          HH22      ARG  87  16.343  -1.862 -10.133
  646   HH21  ARG  87          HH11      ARG  87  16.365   1.580 -10.293
  647   HH22  ARG  87          HH12      ARG  87  16.310   0.151  -9.284
  648    HA   PRO  88           HA       PRO  88  20.874   4.447 -15.595
  649    HB2  PRO  88           HB2      PRO  88  21.246   5.116 -18.208
  650    HB3  PRO  88           HB3      PRO  88  22.262   3.918 -17.355
  651    HG2  PRO  88           HG2      PRO  88  19.873   3.391 -19.142
  652    HG3  PRO  88           HG3      PRO  88  21.493   2.620 -19.204
  653    HD2  PRO  88           HD2      PRO  88  19.345   1.496 -17.947
  654    HD3  PRO  88           HD3      PRO  88  21.016   1.295 -17.327
  655    H    VAL  89           H        VAL  89  19.617   6.036 -14.938
  656    HA   VAL  89           HA       VAL  89  16.945   6.415 -15.516
  657    HB   VAL  89           HB       VAL  89  18.101   7.324 -13.565
  658   HG11  VAL  89          HG11      VAL  89  19.099   9.606 -15.325
  659   HG12  VAL  89          HG12      VAL  89  19.286   9.444 -13.571
  660   HG13  VAL  89          HG13      VAL  89  20.119   8.320 -14.649
  661   HG21  VAL  89          HG21      VAL  89  16.594   9.512 -15.038
  662   HG22  VAL  89          HG22      VAL  89  15.849   8.140 -14.188
  663   HG23  VAL  89          HG23      VAL  89  16.813   9.334 -13.292
  664    H    GLU  90           H        GLU  90  19.606   7.943 -17.315
  665    HA   GLU  90           HA       GLU  90  18.033   9.802 -18.750
  666    HB2  GLU  90           HB2      GLU  90  19.854   9.901 -20.346
  667    HB3  GLU  90           HB3      GLU  90  20.454   9.895 -18.688
  668    HG2  GLU  90           HG2      GLU  90  21.034   7.463 -18.954
  669    HG3  GLU  90           HG3      GLU  90  20.512   7.561 -20.640
  670    H    VAL  91           H        VAL  91  18.565   6.350 -19.390
  671    HA   VAL  91           HA       VAL  91  17.208   6.405 -21.947
  672    HB   VAL  91           HB       VAL  91  17.759   4.006 -20.183
  673   HG11  VAL  91          HG11      VAL  91  16.014   3.399 -21.759
  674   HG12  VAL  91          HG12      VAL  91  16.876   4.191 -23.097
  675   HG13  VAL  91          HG13      VAL  91  17.528   2.721 -22.354
  676   HG21  VAL  91          HG21      VAL  91  19.300   5.114 -22.573
  677   HG22  VAL  91          HG22      VAL  91  19.854   5.117 -20.885
  678   HG23  VAL  91          HG23      VAL  91  19.650   3.586 -21.733
  679    H    ILE  92           H        ILE  92  16.140   5.803 -18.586
  680    HA   ILE  92           HA       ILE  92  13.426   5.039 -19.211
  681    HB   ILE  92           HB       ILE  92  14.384   6.560 -16.739
  682   HG12  ILE  92          HG12      ILE  92  14.368   3.536 -17.149
  683   HG13  ILE  92          HG13      ILE  92  15.805   4.546 -17.104
  684   HG21  ILE  92          HG21      ILE  92  12.069   4.586 -17.088
  685   HG22  ILE  92          HG22      ILE  92  12.447   5.550 -15.641
  686   HG23  ILE  92          HG23      ILE  92  11.884   6.350 -17.100
  687   HD11  ILE  92          HD11      ILE  92  15.637   3.605 -14.962
  688   HD12  ILE  92          HD12      ILE  92  15.168   5.299 -14.779
  689   HD13  ILE  92          HD13      ILE  92  13.924   4.025 -14.794
  690    H    ILE  93           H        ILE  93  14.823   8.265 -18.465
  691    HA   ILE  93           HA       ILE  93  12.389   9.683 -19.027
  692    HB   ILE  93           HB       ILE  93  15.297  10.534 -18.742
  693   HG12  ILE  93          HG12      ILE  93  12.827  10.931 -16.959
  694   HG13  ILE  93          HG13      ILE  93  13.974   9.610 -16.746
  695   HG21  ILE  93          HG21      ILE  93  12.832  12.329 -19.067
  696   HG22  ILE  93          HG22      ILE  93  14.438  12.900 -18.570
  697   HG23  ILE  93          HG23      ILE  93  14.225  12.226 -20.172
  698   HD11  ILE  93          HD11      ILE  93  14.571  12.561 -16.373
  699   HD12  ILE  93          HD12      ILE  93  14.450  11.301 -15.139
  700   HD13  ILE  93          HD13      ILE  93  15.784  11.259 -16.324
  701    H    SER  94           H        SER  94  15.195   8.933 -21.126
  702    HA   SER  94           HA       SER  94  14.210  10.310 -23.410
  703    HB2  SER  94           HB2      SER  94  15.816   7.730 -23.342
  704    HB3  SER  94           HB3      SER  94  15.579   8.777 -24.749
  705    HG   SER  94           HG       SER  94  16.989   9.332 -22.349
  706    H    SER  95           H        SER  95  13.518   6.997 -22.279
  707    HA   SER  95           HA       SER  95  11.771   6.237 -24.409
  708    HB2  SER  95           HB2      SER  95  12.752   4.701 -22.667
  709    HB3  SER  95           HB3      SER  95  11.633   5.396 -21.486
  710    HG   SER  95           HG       SER  95  11.038   3.783 -23.769
  711    H    ALA  96           H        ALA  96  11.065   7.875 -21.261
  712    HA   ALA  96           HA       ALA  96   8.269   8.152 -21.624
  713    HB1  ALA  96           HB1      ALA  96   9.670   8.496 -19.524
  714    HB2  ALA  96           HB2      ALA  96  10.193  10.052 -20.189
  715    HB3  ALA  96           HB3      ALA  96   8.480   9.764 -19.823
  716    H    LYS  97           H        LYS  97  10.932  10.426 -22.525
  717    HA   LYS  97           HA       LYS  97   9.266  12.382 -23.757
  718    HB2  LYS  97           HB2      LYS  97  12.198  11.626 -24.035
  719    HB3  LYS  97           HB3      LYS  97  11.492  13.004 -24.886
  720    HG2  LYS  97           HG2      LYS  97  10.899  14.116 -22.841
  721    HG3  LYS  97           HG3      LYS  97  11.362  12.713 -21.850
  722    HD2  LYS  97           HD2      LYS  97  13.684  12.919 -22.521
  723    HD3  LYS  97           HD3      LYS  97  13.287  14.213 -23.680
  724    HE2  LYS  97           HE2      LYS  97  12.473  15.639 -21.781
  725    HE3  LYS  97           HE3      LYS  97  12.975  14.390 -20.638
  726    HZ1  LYS  97           HZ1      LYS  97  15.289  14.709 -21.454
  727    HZ2  LYS  97           HZ2      LYS  97  14.789  15.869 -22.489
  728    HZ3  LYS  97           HZ3      LYS  97  14.678  16.116 -20.879
  729    H    GLU  98           H        GLU  98  10.873   9.535 -25.197
  730    HA   GLU  98           HA       GLU  98   9.982  10.028 -27.866
  731    HB2  GLU  98           HB2      GLU  98  10.863   7.504 -26.433
  732    HB3  GLU  98           HB3      GLU  98  10.304   7.490 -28.106
  733    HG2  GLU  98           HG2      GLU  98  12.031   9.131 -28.742
  734    HG3  GLU  98           HG3      GLU  98  12.643   9.154 -27.091
  735    H    MET  99           H        MET  99   8.437   8.302 -25.152
  736    HA   MET  99           HA       MET  99   6.172   7.453 -26.674
  737    HB2  MET  99           HB2      MET  99   6.676   7.660 -23.701
  738    HB3  MET  99           HB3      MET  99   5.173   7.040 -24.397
  739    HG2  MET  99           HG2      MET  99   7.887   5.926 -25.184
  740    HG3  MET  99           HG3      MET  99   6.999   5.300 -23.820
  741    HE1  MET  99           HE1      MET  99   5.476   3.425 -23.876
  742    HE2  MET  99           HE2      MET  99   4.225   4.644 -24.236
  743    HE3  MET  99           HE3      MET  99   4.282   3.127 -25.156
  744    H    VAL 100           H        VAL 100   6.667  10.378 -24.670
  745    HA   VAL 100           HA       VAL 100   4.141  11.536 -24.834
  746    HB   VAL 100           HB       VAL 100   6.822  12.909 -25.113
  747   HG11  VAL 100          HG11      VAL 100   5.225  14.453 -26.172
  748   HG12  VAL 100          HG12      VAL 100   4.076  14.229 -24.826
  749   HG13  VAL 100          HG13      VAL 100   5.623  15.041 -24.556
  750   HG21  VAL 100          HG21      VAL 100   4.787  12.888 -22.844
  751   HG22  VAL 100          HG22      VAL 100   6.199  11.822 -22.925
  752   HG23  VAL 100          HG23      VAL 100   6.424  13.573 -22.816
  753    H    GLY 101           H        GLY 101   2.779  12.176 -26.255
  754    HA2  GLY 101           HA2      GLY 101   1.964  13.087 -28.279
  755    HA3  GLY 101           HA3      GLY 101   3.487  12.667 -29.107
  756    H    GLN 102           H        GLN 102   3.109   9.844 -27.644
  757    HA   GLN 102           HA       GLN 102   1.581   8.686 -29.826
  758    HB2  GLN 102           HB2      GLN 102   3.180   7.302 -27.638
  759    HB3  GLN 102           HB3      GLN 102   2.451   6.548 -29.050
  760    HG2  GLN 102           HG2      GLN 102   3.914   8.000 -30.528
  761    HG3  GLN 102           HG3      GLN 102   4.723   8.582 -29.069
  762   HE21  GLN 102          HE22      GLN 102   6.760   7.576 -28.967
  763   HE22  GLN 102          HE21      GLN 102   6.992   5.863 -29.311
  764    H    LYS 103           H        LYS 103  -0.037   7.028 -29.398
  765    HA   LYS 103           HA       LYS 103  -1.673   7.615 -26.988
  766    HB2  LYS 103           HB2      LYS 103  -2.528   6.668 -29.760
  767    HB3  LYS 103           HB3      LYS 103  -3.578   6.865 -28.366
  768    HG2  LYS 103           HG2      LYS 103  -3.981   8.805 -29.498
  769    HG3  LYS 103           HG3      LYS 103  -2.786   9.323 -28.305
  770    HD2  LYS 103           HD2      LYS 103  -1.026   9.307 -30.046
  771    HD3  LYS 103           HD3      LYS 103  -2.184   8.647 -31.221
  772    HE2  LYS 103           HE2      LYS 103  -3.541  10.687 -31.079
  773    HE3  LYS 103           HE3      LYS 103  -2.533  11.312 -29.768
  774    HZ1  LYS 103           HZ1      LYS 103  -1.598  10.837 -32.554
  775    HZ2  LYS 103           HZ2      LYS 103  -1.921  12.296 -31.902
  776    HZ3  LYS 103           HZ3      LYS 103  -0.660  11.424 -31.338
  777    H    MET 104           H        MET 104  -2.586   6.032 -25.789
  778    HA   MET 104           HA       MET 104  -1.667   3.191 -26.164
  779    HB2  MET 104           HB2      MET 104  -1.837   4.729 -23.533
  780    HB3  MET 104           HB3      MET 104  -1.271   3.071 -23.755
  781    HG2  MET 104           HG2      MET 104   0.067   5.599 -24.809
  782    HG3  MET 104           HG3      MET 104   0.597   4.647 -23.430
  783    HE1  MET 104           HE1      MET 104   2.881   4.476 -26.916
  784    HE2  MET 104           HE2      MET 104   1.451   5.526 -26.867
  785    HE3  MET 104           HE3      MET 104   2.591   5.522 -25.507
  786    H    LYS 105           H        LYS 105  -3.144   1.581 -25.460
  787    HA   LYS 105           HA       LYS 105  -5.905   2.180 -25.716
  788    HB2  LYS 105           HB2      LYS 105  -4.496  -0.233 -24.507
  789    HB3  LYS 105           HB3      LYS 105  -6.239  -0.145 -24.805
  790    HG2  LYS 105           HG2      LYS 105  -5.844   0.205 -27.219
  791    HG3  LYS 105           HG3      LYS 105  -4.100   0.189 -26.959
  792    HD2  LYS 105           HD2      LYS 105  -4.757  -1.936 -27.833
  793    HD3  LYS 105           HD3      LYS 105  -4.214  -2.152 -26.165
  794    HE2  LYS 105           HE2      LYS 105  -6.580  -2.253 -25.391
  795    HE3  LYS 105           HE3      LYS 105  -7.143  -1.947 -27.040
  796    HZ1  LYS 105           HZ1      LYS 105  -6.124  -4.057 -27.715
  797    HZ2  LYS 105           HZ2      LYS 105  -5.585  -4.344 -26.196
  798    HZ3  LYS 105           HZ3      LYS 105  -7.190  -4.317 -26.504
  799    H    TYR 106           H        TYR 106  -7.531   2.714 -24.355
  800    HA   TYR 106           HA       TYR 106  -6.804   3.820 -21.773
  801    HB2  TYR 106           HB2      TYR 106  -8.337   4.920 -23.342
  802    HB3  TYR 106           HB3      TYR 106  -9.443   3.556 -23.243
  803    HD1  TYR 106           HD2      TYR 106  -7.664   5.626 -20.585
  804    HD2  TYR 106           HD1      TYR 106 -11.425   4.257 -22.226
  805    HE1  TYR 106           HE2      TYR 106  -8.890   6.663 -18.694
  806    HE2  TYR 106           HE1      TYR 106 -12.638   5.400 -20.395
  807    HH   TYR 106           HH       TYR 106 -12.463   6.616 -18.430
  808    H    SER 107           H        SER 107  -8.201   3.469 -19.826
  809    HA   SER 107           HA       SER 107  -7.999   0.853 -18.784
  810    HB2  SER 107           HB2      SER 107  -9.241   3.444 -17.806
  811    HB3  SER 107           HB3      SER 107  -9.044   2.013 -16.788
  812    HG   SER 107           HG       SER 107  -7.223   3.712 -16.917
  813    H    ILE 108           H        ILE 108  -9.745   0.471 -20.954
  814    HA   ILE 108           HA       ILE 108 -12.474   0.081 -19.938
  815    HB   ILE 108           HB       ILE 108 -12.858  -1.176 -22.013
  816   HG12  ILE 108          HG12      ILE 108  -9.932  -0.628 -22.701
  817   HG13  ILE 108          HG13      ILE 108 -10.634  -2.206 -22.340
  818   HG21  ILE 108          HG21      ILE 108 -12.744   0.745 -23.510
  819   HG22  ILE 108          HG22      ILE 108 -13.095   1.308 -21.883
  820   HG23  ILE 108          HG23      ILE 108 -11.454   1.487 -22.545
  821   HD11  ILE 108          HD11      ILE 108 -10.410  -2.024 -24.709
  822   HD12  ILE 108          HD12      ILE 108 -12.141  -1.960 -24.333
  823   HD13  ILE 108          HD13      ILE 108 -11.253  -0.469 -24.754
  824    H    VAL 109           H        VAL 109 -13.338  -1.811 -19.101
  825    HA   VAL 109           HA       VAL 109 -13.513  -3.783 -18.059
  826    HB   VAL 109           HB       VAL 109 -10.862  -4.716 -19.239
  827   HG11  VAL 109          HG11      VAL 109 -13.214  -6.228 -18.035
  828   HG12  VAL 109          HG12      VAL 109 -11.831  -6.965 -18.871
  829   HG13  VAL 109          HG13      VAL 109 -11.572  -6.097 -17.358
  830   HG21  VAL 109          HG21      VAL 109 -13.713  -5.019 -20.297
  831   HG22  VAL 109          HG22      VAL 109 -12.403  -4.105 -21.078
  832   HG23  VAL 109          HG23      VAL 109 -12.283  -5.859 -20.938
  833    H    SER 110           H        SER 110 -10.192  -2.475 -17.837
  834    HA   SER 110           HA       SER 110 -10.349  -2.159 -14.953
  835    HB2  SER 110           HB2      SER 110  -9.810  -4.617 -15.199
  836    HB3  SER 110           HB3      SER 110  -8.288  -4.147 -15.980
  837    HG   SER 110           HG       SER 110  -8.089  -4.494 -13.671
  838    H    ARG 111           H        ARG 111  -8.292  -1.172 -14.080
  839    HA   ARG 111           HA       ARG 111  -7.572   0.989 -15.826
  840    HB2  ARG 111           HB2      ARG 111  -6.779   0.301 -12.988
  841    HB3  ARG 111           HB3      ARG 111  -6.043   1.651 -13.879
  842    HG2  ARG 111           HG2      ARG 111  -8.303   2.554 -14.387
  843    HG3  ARG 111           HG3      ARG 111  -9.039   1.287 -13.418
  844    HD2  ARG 111           HD2      ARG 111  -6.991   3.238 -12.279
  845    HD3  ARG 111           HD3      ARG 111  -8.692   3.668 -12.413
  846    HE   ARG 111           HE       ARG 111  -7.495   2.036 -10.372
  847   HH11  ARG 111          HH11      ARG 111 -10.593   2.129 -12.164
  848   HH12  ARG 111          HH12      ARG 111 -11.462   1.613 -10.748
  849   HH21  ARG 111          HH21      ARG 111  -8.624   1.468  -8.727
  850   HH22  ARG 111          HH22      ARG 111 -10.355   1.150  -8.809
  851    H    ASN 112           H        ASN 112  -5.938   1.434 -17.041
  852    HA   ASN 112           HA       ASN 112  -3.786  -0.625 -17.339
  853    HB2  ASN 112           HB2      ASN 112  -5.685  -0.473 -19.044
  854    HB3  ASN 112           HB3      ASN 112  -5.056   1.114 -19.490
  855   HD21  ASN 112          HD22      ASN 112  -4.044   0.809 -21.503
  856   HD22  ASN 112          HD21      ASN 112  -2.908  -0.492 -21.820
  857    H    CYS 113           H        CYS 113  -4.039   2.609 -16.375
  858    HA   CYS 113           HA       CYS 113  -1.939   3.721 -18.007
  859    HB2  CYS 113           HB2      CYS 113  -3.253   4.753 -15.447
  860    HB3  CYS 113           HB3      CYS 113  -2.158   5.682 -16.488
  861    HG   CYS 113           HG       CYS 113  -4.468   6.530 -17.071
  862    H    GLU 114           H        GLU 114  -1.622   1.640 -15.319
  863    HA   GLU 114           HA       GLU 114   1.042   2.600 -14.506
  864    HB2  GLU 114           HB2      GLU 114   0.947   0.058 -13.555
  865    HB3  GLU 114           HB3      GLU 114   0.489   1.502 -12.695
  866    HG2  GLU 114           HG2      GLU 114  -1.176  -0.124 -12.286
  867    HG3  GLU 114           HG3      GLU 114  -1.907   1.110 -13.296
  868    H    HIS 115           H        HIS 115  -0.332  -0.100 -16.451
  869    HA   HIS 115           HA       HIS 115   2.047  -1.266 -17.372
  870    HB2  HIS 115           HB2      HIS 115  -0.653  -0.868 -18.723
  871    HB3  HIS 115           HB3      HIS 115   0.643  -1.774 -19.476
  872    HD1  HIS 115           HD1      HIS 115  -1.445  -2.025 -16.199
  873    HD2  HIS 115           HD2      HIS 115   0.833  -4.285 -18.931
  874    HE1  HIS 115           HE1      HIS 115  -1.787  -4.462 -15.573
  875    H    PHE 116           H        PHE 116   0.698   1.841 -18.487
  876    HA   PHE 116           HA       PHE 116   2.504   2.142 -20.702
  877    HB2  PHE 116           HB2      PHE 116   0.688   3.605 -20.742
  878    HB3  PHE 116           HB3      PHE 116   0.835   4.017 -19.035
  879    HD1  PHE 116           HD2      PHE 116   3.049   4.175 -22.102
  880    HD2  PHE 116           HD1      PHE 116   1.580   6.179 -18.575
  881    HE1  PHE 116           HE2      PHE 116   4.625   6.037 -22.490
  882    HE2  PHE 116           HE1      PHE 116   3.153   8.059 -18.994
  883    HZ   PHE 116           HZ       PHE 116   4.710   7.960 -20.928
  884    H    VAL 117           H        VAL 117   2.771   3.158 -17.237
  885    HA   VAL 117           HA       VAL 117   5.331   4.451 -17.850
  886    HB   VAL 117           HB       VAL 117   5.493   5.012 -15.461
  887   HG11  VAL 117          HG11      VAL 117   3.785   6.711 -15.482
  888   HG12  VAL 117          HG12      VAL 117   4.454   6.541 -17.107
  889   HG13  VAL 117          HG13      VAL 117   2.860   5.840 -16.712
  890   HG21  VAL 117          HG21      VAL 117   2.670   3.914 -15.188
  891   HG22  VAL 117          HG22      VAL 117   4.117   3.111 -14.529
  892   HG23  VAL 117          HG23      VAL 117   3.647   4.715 -13.949
  893    H    THR 118           H        THR 118   4.422   1.291 -16.501
  894    HA   THR 118           HA       THR 118   6.996   0.628 -15.370
  895    HB   THR 118           HB       THR 118   6.218  -1.742 -15.734
  896    HG1  THR 118           HG1      THR 118   4.220  -2.054 -16.634
  897   HG21  THR 118          HG21      THR 118   4.154   0.115 -14.453
  898   HG22  THR 118          HG22      THR 118   4.326  -1.627 -14.158
  899   HG23  THR 118          HG23      THR 118   5.614  -0.515 -13.655
  900    H    GLN 119           H        GLN 119   5.656   0.183 -18.630
  901    HA   GLN 119           HA       GLN 119   7.845  -1.189 -19.766
  902    HB2  GLN 119           HB2      GLN 119   5.701   0.587 -20.970
  903    HB3  GLN 119           HB3      GLN 119   6.932  -0.207 -21.958
  904    HG2  GLN 119           HG2      GLN 119   6.255  -2.423 -21.102
  905    HG3  GLN 119           HG3      GLN 119   5.019  -1.673 -20.090
  906   HE21  GLN 119          HE22      GLN 119   3.162  -0.649 -21.168
  907   HE22  GLN 119          HE21      GLN 119   2.760  -1.103 -22.830
  908    H    LEU 120           H        LEU 120   7.596   2.239 -19.023
  909    HA   LEU 120           HA       LEU 120   9.717   3.156 -20.745
  910    HB2  LEU 120           HB2      LEU 120   8.882   4.283 -18.035
  911    HB3  LEU 120           HB3      LEU 120   9.766   5.130 -19.297
  912    HG   LEU 120           HG       LEU 120   6.890   4.136 -19.536
  913   HD11  LEU 120          HD11      LEU 120   6.256   6.482 -19.382
  914   HD12  LEU 120          HD12      LEU 120   7.153   5.987 -17.944
  915   HD13  LEU 120          HD13      LEU 120   7.957   6.953 -19.203
  916   HD21  LEU 120          HD21      LEU 120   6.855   5.595 -21.583
  917   HD22  LEU 120          HD22      LEU 120   8.620   5.756 -21.444
  918   HD23  LEU 120          HD23      LEU 120   7.891   4.169 -21.745
  919    H    ARG 121           H        ARG 121   9.786   1.570 -17.600
  920    HA   ARG 121           HA       ARG 121  12.765   1.808 -17.424
  921    HB2  ARG 121           HB2      ARG 121  11.275   2.260 -15.452
  922    HB3  ARG 121           HB3      ARG 121  10.824   0.551 -15.449
  923    HG2  ARG 121           HG2      ARG 121  13.254  -0.045 -15.200
  924    HG3  ARG 121           HG3      ARG 121  13.683   1.652 -15.169
  925    HD2  ARG 121           HD2      ARG 121  11.790   0.317 -13.157
  926    HD3  ARG 121           HD3      ARG 121  13.531   0.490 -12.921
  927    HE   ARG 121           HE       ARG 121  12.104   3.015 -13.467
  928   HH11  ARG 121          HH21      ARG 121  13.135   0.868 -10.817
  929   HH12  ARG 121          HH22      ARG 121  13.283   2.193  -9.708
  930   HH21  ARG 121          HH11      ARG 121  12.194   4.643 -11.921
  931   HH22  ARG 121          HH12      ARG 121  12.704   4.270 -10.304
  932    H    TYR 122           H        TYR 122  10.194  -0.742 -17.672
  933    HA   TYR 122           HA       TYR 122  12.032  -2.947 -17.731
  934    HB2  TYR 122           HB2      TYR 122   9.699  -3.182 -17.122
  935    HB3  TYR 122           HB3      TYR 122   9.177  -2.633 -18.705
  936    HD1  TYR 122           HD2      TYR 122  11.298  -5.329 -17.143
  937    HD2  TYR 122           HD1      TYR 122   8.596  -4.233 -20.327
  938    HE1  TYR 122           HE2      TYR 122  11.342  -7.670 -17.986
  939    HE2  TYR 122           HE1      TYR 122   8.619  -6.578 -21.153
  940    HH   TYR 122           HH       TYR 122  10.565  -9.155 -19.587
  941    H    GLY 123           H        GLY 123  10.756  -0.948 -20.392
  942    HA2  GLY 123           HA2      GLY 123  11.844  -2.626 -22.531
  943    HA3  GLY 123           HA3      GLY 123  11.016  -1.059 -22.681
  944    H    LYS 124           H        LYS 124  13.570  -0.870 -20.439
  945    HA   LYS 124           HA       LYS 124  15.135   0.958 -21.900
  946    HB2  LYS 124           HB2      LYS 124  15.112   0.956 -19.537
  947    HB3  LYS 124           HB3      LYS 124  15.529  -0.742 -19.415
  948    HG2  LYS 124           HG2      LYS 124  17.506   1.243 -20.575
  949    HG3  LYS 124           HG3      LYS 124  17.253   1.104 -18.841
  950    HD2  LYS 124           HD2      LYS 124  18.508  -0.768 -18.686
  951    HD3  LYS 124           HD3      LYS 124  17.605  -1.566 -19.954
  952    HE2  LYS 124           HE2      LYS 124  19.005  -0.291 -21.666
  953    HE3  LYS 124           HE3      LYS 124  19.999   0.300 -20.329
  954    HZ1  LYS 124           HZ1      LYS 124  20.915  -1.727 -21.371
  955    HZ2  LYS 124           HZ2      LYS 124  20.561  -2.018 -19.800
  956    HZ3  LYS 124           HZ3      LYS 124  19.568  -2.581 -20.977
  957    H    SER 125           H        SER 125  15.533  -2.541 -21.626
  958    HA   SER 125           HA       SER 125  17.964  -2.594 -23.259
  959    HB2  SER 125           HB2      SER 125  16.428  -4.792 -21.848
  960    HB3  SER 125           HB3      SER 125  17.880  -5.043 -22.835
  961    HG   SER 125           HG       SER 125  18.322  -4.739 -20.533
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  13.060  17.294  16.496
    2    H2   MET   1           H2       MET   1  13.462  16.150  15.403
    3    H3   MET   1           H3       MET   1  12.247  17.200  15.077
    4    HA   MET   1           HA       MET   1  12.251  15.175  17.226
    5    HB2  MET   1           HB2      MET   1  10.963  17.192  17.829
    6    HB3  MET   1           HB3      MET   1   9.952  17.006  16.399
    7    HG2  MET   1           HG2      MET   1   9.162  14.799  17.267
    8    HG3  MET   1           HG3      MET   1  10.248  14.966  18.650
    9    HE1  MET   1           HE1      MET   1   7.710  17.596  16.912
   10    HE2  MET   1           HE2      MET   1   6.895  16.012  16.962
   11    HE3  MET   1           HE3      MET   1   6.318  17.342  17.983
   12    H    ALA   2           H        ALA   2   9.862  15.851  14.574
   13    HA   ALA   2           HA       ALA   2   9.651  12.995  14.029
   14    HB1  ALA   2           HB1      ALA   2   8.426  15.424  12.644
   15    HB2  ALA   2           HB2      ALA   2   7.928  13.738  12.440
   16    HB3  ALA   2           HB3      ALA   2   7.710  14.531  14.007
   17    H    SER   3           H        SER   3   9.750  12.133  11.786
   18    HA   SER   3           HA       SER   3  12.301  12.727  10.487
   19    HB2  SER   3           HB2      SER   3  11.590  10.792   9.023
   20    HB3  SER   3           HB3      SER   3  11.720  10.430  10.749
   21    HG   SER   3           HG       SER   3   9.778   9.561   9.809
   22    HA   PRO   4           HA       PRO   4  10.681  15.245   7.172
   23    HB2  PRO   4           HB2      PRO   4  12.401  14.756   5.111
   24    HB3  PRO   4           HB3      PRO   4  12.896  15.620   6.602
   25    HG2  PRO   4           HG2      PRO   4  13.254  12.674   5.954
   26    HG3  PRO   4           HG3      PRO   4  14.489  13.826   6.548
   27    HD2  PRO   4           HD2      PRO   4  13.156  12.164   8.237
   28    HD3  PRO   4           HD3      PRO   4  13.563  13.838   8.723
   29    H    HIS   5           H        HIS   5   9.677  15.151   5.018
   30    HA   HIS   5           HA       HIS   5   8.176  12.656   4.628
   31    HB2  HIS   5           HB2      HIS   5   6.788  13.970   3.141
   32    HB3  HIS   5           HB3      HIS   5   7.030  14.823   4.652
   33    HD1  HIS   5           HD1      HIS   5   8.162  15.025   0.942
   34    HD2  HIS   5           HD2      HIS   5   8.078  17.244   4.530
   35    HE1  HIS   5           HE1      HIS   5   8.818  17.414   0.334
   36    H    GLN   6           H        GLN   6   7.724  11.885   2.371
   37    HA   GLN   6           HA       GLN   6  10.167  11.213   0.946
   38    HB2  GLN   6           HB2      GLN   6   8.220   9.681   1.255
   39    HB3  GLN   6           HB3      GLN   6   7.224  10.760   0.269
   40    HG2  GLN   6           HG2      GLN   6   8.661  10.310  -1.697
   41    HG3  GLN   6           HG3      GLN   6   9.698   9.265  -0.710
   42   HE21  GLN   6          HE22      GLN   6   8.793   7.135  -0.013
   43   HE22  GLN   6          HE21      GLN   6   7.375   6.516  -0.839
   44    H    GLU   7           H        GLU   7  10.821  11.895  -1.129
   45    HA   GLU   7           HA       GLU   7   9.230  13.965  -2.517
   46    HB2  GLU   7           HB2      GLU   7  12.209  14.167  -1.908
   47    HB3  GLU   7           HB3      GLU   7  11.347  15.174  -3.077
   48    HG2  GLU   7           HG2      GLU   7   9.864  15.997  -1.254
   49    HG3  GLU   7           HG3      GLU   7  10.823  15.085  -0.077
   50    HA   PRO   8           HA       PRO   8  10.409  11.231  -5.880
   51    HB2  PRO   8           HB2      PRO   8   9.365  12.511  -8.014
   52    HB3  PRO   8           HB3      PRO   8   8.327  11.845  -6.711
   53    HG2  PRO   8           HG2      PRO   8   9.293  14.707  -7.035
   54    HG3  PRO   8           HG3      PRO   8   7.618  14.131  -6.736
   55    HD2  PRO   8           HD2      PRO   8   9.270  14.978  -4.719
   56    HD3  PRO   8           HD3      PRO   8   8.074  13.668  -4.487
   57    H    LYS   9           H        LYS   9  11.983  10.926  -7.367
   58    HA   LYS   9           HA       LYS   9  13.658  13.205  -8.284
   59    HB2  LYS   9           HB2      LYS   9  14.465  10.505  -7.106
   60    HB3  LYS   9           HB3      LYS   9  15.599  11.464  -8.039
   61    HG2  LYS   9           HG2      LYS   9  14.220  12.423  -5.502
   62    HG3  LYS   9           HG3      LYS   9  15.859  11.764  -5.602
   63    HD2  LYS   9           HD2      LYS   9  16.485  13.620  -7.188
   64    HD3  LYS   9           HD3      LYS   9  14.883  14.341  -6.940
   65    HE2  LYS   9           HE2      LYS   9  15.314  14.484  -4.488
   66    HE3  LYS   9           HE3      LYS   9  16.900  13.750  -4.720
   67    HZ1  LYS   9           HZ1      LYS   9  17.054  16.166  -4.583
   68    HZ2  LYS   9           HZ2      LYS   9  17.530  15.685  -6.062
   69    HZ3  LYS   9           HZ3      LYS   9  16.051  16.370  -5.857
   70    HA   PRO  10           HA       PRO  10  13.517  12.049 -12.471
   71    HB2  PRO  10           HB2      PRO  10  16.499  11.531 -12.314
   72    HB3  PRO  10           HB3      PRO  10  15.577  12.368 -13.602
   73    HG2  PRO  10           HG2      PRO  10  16.831  13.834 -11.749
   74    HG3  PRO  10           HG3      PRO  10  15.134  14.237 -12.180
   75    HD2  PRO  10           HD2      PRO  10  16.164  12.704  -9.793
   76    HD3  PRO  10           HD3      PRO  10  14.893  13.962  -9.868
   77    H    GLY  11           H        GLY  11  12.694  10.245 -13.340
   78    HA2  GLY  11           HA2      GLY  11  12.765   8.074 -14.247
   79    HA3  GLY  11           HA3      GLY  11  14.056   7.617 -13.110
   80    H    ASP  12           H        ASP  12  11.950   9.066 -11.068
   81    HA   ASP  12           HA       ASP  12  11.018   6.587 -10.024
   82    HB2  ASP  12           HB2      ASP  12  10.363   9.465  -9.332
   83    HB3  ASP  12           HB3      ASP  12   9.594   8.120  -8.525
   84    H    LEU  13           H        LEU  13   9.132   5.611  -9.862
   85    HA   LEU  13           HA       LEU  13   6.917   6.297 -11.715
   86    HB2  LEU  13           HB2      LEU  13   7.426   3.948  -9.823
   87    HB3  LEU  13           HB3      LEU  13   6.008   4.097 -10.856
   88    HG   LEU  13           HG       LEU  13   8.891   3.890 -11.860
   89   HD11  LEU  13          HD11      LEU  13   8.121   1.793 -10.807
   90   HD12  LEU  13          HD12      LEU  13   6.656   1.812 -11.810
   91   HD13  LEU  13          HD13      LEU  13   8.252   1.613 -12.565
   92   HD21  LEU  13          HD21      LEU  13   6.254   3.731 -13.368
   93   HD22  LEU  13          HD22      LEU  13   7.345   5.118 -13.412
   94   HD23  LEU  13          HD23      LEU  13   7.877   3.565 -14.071
   95    H    ILE  14           H        ILE  14   5.211   7.416 -11.068
   96    HA   ILE  14           HA       ILE  14   4.843   7.968  -8.132
   97    HB   ILE  14           HB       ILE  14   3.772   9.568 -10.489
   98   HG12  ILE  14          HG12      ILE  14   6.214   9.768 -10.568
   99   HG13  ILE  14          HG13      ILE  14   5.434  11.276 -10.125
  100   HG21  ILE  14          HG21      ILE  14   2.465   9.855  -8.451
  101   HG22  ILE  14          HG22      ILE  14   3.923  10.171  -7.505
  102   HG23  ILE  14          HG23      ILE  14   3.396  11.325  -8.746
  103   HD11  ILE  14          HD11      ILE  14   7.510  10.817  -8.827
  104   HD12  ILE  14          HD12      ILE  14   6.095  11.017  -7.787
  105   HD13  ILE  14          HD13      ILE  14   6.747   9.387  -8.126
  106    H    GLU  15           H        GLU  15   3.075   7.140  -7.212
  107    HA   GLU  15           HA       GLU  15   0.826   6.060  -8.866
  108    HB2  GLU  15           HB2      GLU  15   1.963   4.442  -7.406
  109    HB3  GLU  15           HB3      GLU  15   1.761   5.517  -6.015
  110    HG2  GLU  15           HG2      GLU  15  -0.671   5.235  -6.097
  111    HG3  GLU  15           HG3      GLU  15  -0.535   4.287  -7.587
  112    H    ILE  16           H        ILE  16  -0.992   7.252  -8.845
  113    HA   ILE  16           HA       ILE  16  -1.340   9.427  -6.800
  114    HB   ILE  16           HB       ILE  16  -2.134   9.423  -9.739
  115   HG12  ILE  16          HG12      ILE  16   0.095  10.985  -8.361
  116   HG13  ILE  16          HG13      ILE  16   0.337   9.587  -9.412
  117   HG21  ILE  16          HG21      ILE  16  -2.388  11.506  -7.521
  118   HG22  ILE  16          HG22      ILE  16  -2.676  11.861  -9.244
  119   HG23  ILE  16          HG23      ILE  16  -3.704  10.717  -8.400
  120   HD11  ILE  16          HD11      ILE  16  -0.747  12.273 -10.291
  121   HD12  ILE  16          HD12      ILE  16   0.810  11.532 -10.688
  122   HD13  ILE  16          HD13      ILE  16  -0.684  10.814 -11.311
  123    H    PHE  17           H        PHE  17  -3.018   9.171  -5.554
  124    HA   PHE  17           HA       PHE  17  -5.120   7.199  -6.151
  125    HB2  PHE  17           HB2      PHE  17  -4.601   8.865  -3.662
  126    HB3  PHE  17           HB3      PHE  17  -5.726   7.524  -3.804
  127    HD1  PHE  17           HD2      PHE  17  -4.757   5.191  -4.451
  128    HD2  PHE  17           HD1      PHE  17  -2.329   8.454  -3.018
  129    HE1  PHE  17           HE2      PHE  17  -2.946   3.597  -3.882
  130    HE2  PHE  17           HE1      PHE  17  -0.526   6.858  -2.441
  131    HZ   PHE  17           HZ       PHE  17  -0.833   4.423  -2.873
  132    H    ARG  18           H        ARG  18  -5.586   8.771  -8.023
  133    HA   ARG  18           HA       ARG  18  -7.173  11.127  -7.561
  134    HB2  ARG  18           HB2      ARG  18  -6.062  10.527  -9.718
  135    HB3  ARG  18           HB3      ARG  18  -7.196   9.191  -9.926
  136    HG2  ARG  18           HG2      ARG  18  -9.080  10.819 -10.025
  137    HG3  ARG  18           HG3      ARG  18  -7.933  12.145  -9.774
  138    HD2  ARG  18           HD2      ARG  18  -6.805  11.467 -11.925
  139    HD3  ARG  18           HD3      ARG  18  -8.082  10.251 -12.149
  140    HE   ARG  18           HE       ARG  18  -9.131  12.912 -11.654
  141   HH11  ARG  18          HH11      ARG  18  -7.915  10.877 -14.311
  142   HH12  ARG  18          HH12      ARG  18  -8.769  11.818 -15.503
  143   HH21  ARG  18          HH21      ARG  18 -10.194  14.042 -13.251
  144   HH22  ARG  18          HH22      ARG  18 -10.031  13.583 -14.916
  145    H    LEU  19           H        LEU  19  -9.436  11.394  -7.625
  146    HA   LEU  19           HA       LEU  19 -11.053   9.621  -6.156
  147    HB2  LEU  19           HB2      LEU  19 -11.489  12.042  -6.466
  148    HB3  LEU  19           HB3      LEU  19 -11.831  11.772  -8.175
  149    HG   LEU  19           HG       LEU  19 -13.822  10.406  -7.562
  150   HD11  LEU  19          HD11      LEU  19 -14.675  10.469  -5.217
  151   HD12  LEU  19          HD12      LEU  19 -13.163   9.570  -5.334
  152   HD13  LEU  19          HD13      LEU  19 -13.150  11.228  -4.696
  153   HD21  LEU  19          HD21      LEU  19 -13.761  13.173  -6.288
  154   HD22  LEU  19          HD22      LEU  19 -14.032  12.822  -8.010
  155   HD23  LEU  19          HD23      LEU  19 -15.211  12.282  -6.805
  156    H    GLY  20           H        GLY  20 -12.203   7.824  -6.644
  157    HA2  GLY  20           HA2      GLY  20 -13.162   6.087  -7.925
  158    HA3  GLY  20           HA3      GLY  20 -12.809   6.987  -9.418
  159    H    TYR  21           H        TYR  21 -11.348   5.947 -10.646
  160    HA   TYR  21           HA       TYR  21  -9.563   3.940  -9.603
  161    HB2  TYR  21           HB2      TYR  21  -9.716   5.191 -12.365
  162    HB3  TYR  21           HB3      TYR  21  -8.797   3.757 -11.936
  163    HD1  TYR  21           HD1      TYR  21 -10.024   1.692 -11.089
  164    HD2  TYR  21           HD2      TYR  21 -12.069   5.043 -12.884
  165    HE1  TYR  21           HE1      TYR  21 -12.038   0.279 -11.427
  166    HE2  TYR  21           HE2      TYR  21 -14.073   3.622 -13.249
  167    HH   TYR  21           HH       TYR  21 -14.213   0.185 -12.206
  168    H    GLU  22           H        GLU  22  -7.416   3.977  -9.234
  169    HA   GLU  22           HA       GLU  22  -5.945   6.391  -8.795
  170    HB2  GLU  22           HB2      GLU  22  -4.896   3.546  -9.136
  171    HB3  GLU  22           HB3      GLU  22  -4.050   4.901  -8.411
  172    HG2  GLU  22           HG2      GLU  22  -4.757   3.721  -6.566
  173    HG3  GLU  22           HG3      GLU  22  -5.972   4.987  -6.683
  174    H    HIS  23           H        HIS  23  -3.896   6.976  -9.855
  175    HA   HIS  23           HA       HIS  23  -3.670   6.295 -12.755
  176    HB2  HIS  23           HB2      HIS  23  -3.885   9.061 -11.502
  177    HB3  HIS  23           HB3      HIS  23  -3.092   8.799 -13.051
  178    HD1  HIS  23           HD1      HIS  23  -6.269   6.770 -12.528
  179    HD2  HIS  23           HD2      HIS  23  -4.936  10.371 -14.235
  180    HE1  HIS  23           HE1      HIS  23  -8.180   7.629 -13.980
  181    H    TRP  24           H        TRP  24  -1.512   6.943 -13.655
  182    HA   TRP  24           HA       TRP  24   0.674   6.949 -11.624
  183    HB2  TRP  24           HB2      TRP  24   0.132   4.880 -13.765
  184    HB3  TRP  24           HB3      TRP  24   1.752   5.183 -13.165
  185    HD1  TRP  24           HD1      TRP  24   2.465   4.277 -10.890
  186    HE1  TRP  24           HE1      TRP  24   1.442   2.639  -9.198
  187    HE3  TRP  24           HE3      TRP  24  -2.336   4.129 -12.684
  188    HZ2  TRP  24           HZ2      TRP  24  -1.135   1.486  -8.641
  189    HZ3  TRP  24           HZ3      TRP  24  -4.056   2.784 -11.531
  190    HH2  TRP  24           HH2      TRP  24  -3.469   1.443  -9.514
  191    H    ALA  25           H        ALA  25   2.651   7.713 -12.282
  192    HA   ALA  25           HA       ALA  25   2.971   8.819 -15.031
  193    HB1  ALA  25           HB1      ALA  25   3.422  11.049 -14.221
  194    HB2  ALA  25           HB2      ALA  25   1.824  10.567 -13.622
  195    HB3  ALA  25           HB3      ALA  25   3.222  10.554 -12.524
  196    H    LEU  26           H        LEU  26   5.114   9.407 -15.582
  197    HA   LEU  26           HA       LEU  26   7.305   8.196 -13.938
  198    HB2  LEU  26           HB2      LEU  26   6.772   7.544 -16.417
  199    HB3  LEU  26           HB3      LEU  26   7.378   9.120 -16.856
  200    HG   LEU  26           HG       LEU  26   9.058   7.498 -17.251
  201   HD11  LEU  26          HD11      LEU  26   9.852   9.661 -16.256
  202   HD12  LEU  26          HD12      LEU  26   9.985   8.832 -14.686
  203   HD13  LEU  26          HD13      LEU  26  10.967   8.297 -16.059
  204   HD21  LEU  26          HD21      LEU  26   8.207   5.742 -15.702
  205   HD22  LEU  26          HD22      LEU  26   9.956   5.964 -15.575
  206   HD23  LEU  26          HD23      LEU  26   8.901   6.637 -14.328
  207    H    TYR  27           H        TYR  27   8.366   9.693 -12.687
  208    HA   TYR  27           HA       TYR  27   8.106  12.577 -13.248
  209    HB2  TYR  27           HB2      TYR  27   7.862  11.650 -10.990
  210    HB3  TYR  27           HB3      TYR  27   9.520  11.067 -11.024
  211    HD1  TYR  27           HD2      TYR  27  11.411  12.699 -11.018
  212    HD2  TYR  27           HD1      TYR  27   7.329  13.954 -10.525
  213    HE1  TYR  27           HE2      TYR  27  12.195  14.824  -9.966
  214    HE2  TYR  27           HE1      TYR  27   8.099  16.109  -9.542
  215    HH   TYR  27           HH       TYR  27   9.936  17.346  -8.806
  216    H    ILE  28           H        ILE  28   9.579  13.897 -14.145
  217    HA   ILE  28           HA       ILE  28  12.121  12.579 -15.099
  218    HB   ILE  28           HB       ILE  28  11.944  13.872 -17.115
  219   HG12  ILE  28          HG12      ILE  28   9.253  14.934 -16.170
  220   HG13  ILE  28          HG13      ILE  28  10.746  15.881 -16.116
  221   HG21  ILE  28          HG21      ILE  28  10.734  11.641 -16.816
  222   HG22  ILE  28          HG22      ILE  28   9.221  12.555 -16.686
  223   HG23  ILE  28          HG23      ILE  28  10.209  12.640 -18.156
  224   HD11  ILE  28          HD11      ILE  28   9.431  14.746 -18.617
  225   HD12  ILE  28          HD12      ILE  28   9.502  16.445 -18.113
  226   HD13  ILE  28          HD13      ILE  28  10.996  15.597 -18.577
  227    H    GLY  29           H        GLY  29  11.360  14.808 -12.833
  228    HA2  GLY  29           HA2      GLY  29  13.017  16.072 -11.627
  229    HA3  GLY  29           HA3      GLY  29  13.992  16.219 -13.098
  230    H    ASP  30           H        ASP  30  13.624  18.401 -11.664
  231    HA   ASP  30           HA       ASP  30  13.027  20.567 -11.673
  232    HB2  ASP  30           HB2      ASP  30  13.849  20.200 -14.042
  233    HB3  ASP  30           HB3      ASP  30  12.164  20.148 -14.553
  234    H    GLY  31           H        GLY  31  10.873  18.527 -11.051
  235    HA2  GLY  31           HA2      GLY  31   8.737  18.764 -10.100
  236    HA3  GLY  31           HA3      GLY  31   8.562  20.358 -10.868
  237    H    TYR  32           H        TYR  32   9.534  18.249 -13.313
  238    HA   TYR  32           HA       TYR  32   6.742  18.103 -14.281
  239    HB2  TYR  32           HB2      TYR  32   9.440  17.968 -15.630
  240    HB3  TYR  32           HB3      TYR  32   7.991  17.420 -16.453
  241    HD1  TYR  32           HD1      TYR  32   9.642  20.406 -14.982
  242    HD2  TYR  32           HD2      TYR  32   6.322  18.915 -17.292
  243    HE1  TYR  32           HE1      TYR  32   9.083  22.727 -15.674
  244    HE2  TYR  32           HE2      TYR  32   5.743  21.235 -17.969
  245    HH   TYR  32           HH       TYR  32   6.327  23.473 -17.861
  246    H    VAL  33           H        VAL  33   5.806  16.391 -15.295
  247    HA   VAL  33           HA       VAL  33   6.909  13.650 -14.846
  248    HB   VAL  33           HB       VAL  33   4.475  12.932 -14.527
  249   HG11  VAL  33          HG11      VAL  33   5.837  14.466 -12.309
  250   HG12  VAL  33          HG12      VAL  33   4.477  13.335 -12.101
  251   HG13  VAL  33          HG13      VAL  33   6.013  12.739 -12.707
  252   HG21  VAL  33          HG21      VAL  33   3.403  15.122 -15.139
  253   HG22  VAL  33          HG22      VAL  33   2.870  14.462 -13.582
  254   HG23  VAL  33          HG23      VAL  33   4.031  15.794 -13.626
  255    H    ILE  34           H        ILE  34   6.156  12.090 -16.268
  256    HA   ILE  34           HA       ILE  34   4.657  13.021 -18.685
  257    HB   ILE  34           HB       ILE  34   7.039  11.157 -18.435
  258   HG12  ILE  34          HG12      ILE  34   6.321  13.509 -20.242
  259   HG13  ILE  34          HG13      ILE  34   7.350  13.595 -18.820
  260   HG21  ILE  34          HG21      ILE  34   5.366   9.875 -19.712
  261   HG22  ILE  34          HG22      ILE  34   4.987  11.296 -20.711
  262   HG23  ILE  34          HG23      ILE  34   6.559  10.488 -20.845
  263   HD11  ILE  34          HD11      ILE  34   8.012  12.119 -21.390
  264   HD12  ILE  34          HD12      ILE  34   8.731  13.616 -20.789
  265   HD13  ILE  34          HD13      ILE  34   8.997  12.093 -19.920
  266    H    HIS  35           H        HIS  35   2.795  11.927 -19.144
  267    HA   HIS  35           HA       HIS  35   2.053   9.532 -17.529
  268    HB2  HIS  35           HB2      HIS  35   0.061  10.913 -16.659
  269    HB3  HIS  35           HB3      HIS  35   1.633  11.310 -15.985
  270    HD1  HIS  35           HD1      HIS  35  -1.118  12.946 -18.045
  271    HD2  HIS  35           HD2      HIS  35   2.849  13.608 -16.851
  272    HE1  HIS  35           HE1      HIS  35  -0.599  15.388 -18.568
  273    H    LEU  36           H        LEU  36   0.257   8.379 -18.344
  274    HA   LEU  36           HA       LEU  36  -0.617   9.096 -21.075
  275    HB2  LEU  36           HB2      LEU  36   0.125   6.817 -20.648
  276    HB3  LEU  36           HB3      LEU  36  -1.037   6.640 -19.332
  277    HG   LEU  36           HG       LEU  36  -2.912   6.778 -20.939
  278   HD11  LEU  36          HD11      LEU  36  -2.430   6.696 -23.391
  279   HD12  LEU  36          HD12      LEU  36  -1.912   8.205 -22.660
  280   HD13  LEU  36          HD13      LEU  36  -0.708   6.955 -23.048
  281   HD21  LEU  36          HD21      LEU  36  -2.585   4.620 -22.007
  282   HD22  LEU  36          HD22      LEU  36  -0.824   4.728 -21.777
  283   HD23  LEU  36          HD23      LEU  36  -1.913   4.581 -20.376
  284    H    ALA  37           H        ALA  37  -1.970  10.807 -20.921
  285    HA   ALA  37           HA       ALA  37  -3.925  11.135 -18.806
  286    HB1  ALA  37           HB1      ALA  37  -4.534  13.159 -20.098
  287    HB2  ALA  37           HB2      ALA  37  -2.774  13.029 -19.890
  288    HB3  ALA  37           HB3      ALA  37  -3.512  12.602 -21.448
  289    HA   PRO  38           HA       PRO  38  -7.028   8.649 -20.928
  290    HB2  PRO  38           HB2      PRO  38  -9.171   8.980 -19.242
  291    HB3  PRO  38           HB3      PRO  38  -7.738   8.002 -18.814
  292    HG2  PRO  38           HG2      PRO  38  -8.311  10.884 -18.077
  293    HG3  PRO  38           HG3      PRO  38  -7.801   9.542 -17.002
  294    HD2  PRO  38           HD2      PRO  38  -6.019  11.325 -18.027
  295    HD3  PRO  38           HD3      PRO  38  -5.589   9.600 -17.825
  296    HA   PRO  39           HA       PRO  39  -9.634  11.603 -23.175
  297    HB2  PRO  39           HB2      PRO  39 -11.719  10.081 -24.010
  298    HB3  PRO  39           HB3      PRO  39 -10.067   9.874 -24.660
  299    HG2  PRO  39           HG2      PRO  39 -11.418   8.291 -22.452
  300    HG3  PRO  39           HG3      PRO  39 -10.534   7.657 -23.882
  301    HD2  PRO  39           HD2      PRO  39  -9.358   7.920 -21.432
  302    HD3  PRO  39           HD3      PRO  39  -8.445   8.198 -22.945
  303    H    SER  40           H        SER  40 -11.757  12.695 -23.046
  304    HA   SER  40           HA       SER  40 -12.691  12.986 -20.320
  305    HB2  SER  40           HB2      SER  40 -14.229  14.658 -21.365
  306    HB3  SER  40           HB3      SER  40 -12.523  14.905 -21.754
  307    HG   SER  40           HG       SER  40 -13.889  15.094 -23.626
  308    H    GLU  41           H        GLU  41 -13.705  10.944 -22.915
  309    HA   GLU  41           HA       GLU  41 -16.031   9.954 -21.386
  310    HB2  GLU  41           HB2      GLU  41 -16.181  10.884 -24.295
  311    HB3  GLU  41           HB3      GLU  41 -17.409   9.920 -23.482
  312    HG2  GLU  41           HG2      GLU  41 -17.722  11.766 -21.813
  313    HG3  GLU  41           HG3      GLU  41 -16.610  12.761 -22.765
  314    H    TYR  42           H        TYR  42 -16.384   7.772 -21.654
  315    HA   TYR  42           HA       TYR  42 -14.444   6.204 -23.135
  316    HB2  TYR  42           HB2      TYR  42 -15.017   5.256 -21.101
  317    HB3  TYR  42           HB3      TYR  42 -16.732   5.560 -21.298
  318    HD1  TYR  42           HD1      TYR  42 -13.908   3.457 -22.590
  319    HD2  TYR  42           HD2      TYR  42 -18.189   3.920 -22.255
  320    HE1  TYR  42           HE1      TYR  42 -14.238   1.196 -23.572
  321    HE2  TYR  42           HE2      TYR  42 -18.519   1.679 -23.262
  322    HH   TYR  42           HH       TYR  42 -15.768  -0.399 -24.277
  323    HA   PRO  43           HA       PRO  43 -17.942   4.699 -25.848
  324    HB2  PRO  43           HB2      PRO  43 -20.430   5.763 -25.924
  325    HB3  PRO  43           HB3      PRO  43 -19.888   4.706 -24.585
  326    HG2  PRO  43           HG2      PRO  43 -19.931   7.738 -24.650
  327    HG3  PRO  43           HG3      PRO  43 -20.586   6.654 -23.385
  328    HD2  PRO  43           HD2      PRO  43 -18.094   7.794 -23.223
  329    HD3  PRO  43           HD3      PRO  43 -18.418   6.172 -22.565
  330    H    GLY  44           H        GLY  44 -18.337   4.998 -28.024
  331    HA2  GLY  44           HA2      GLY  44 -17.727   7.619 -29.260
  332    HA3  GLY  44           HA3      GLY  44 -17.818   6.022 -30.052
  333    H    ALA  45           H        ALA  45 -20.448   6.579 -27.976
  334    HA   ALA  45           HA       ALA  45 -22.419   6.563 -30.052
  335    HB1  ALA  45           HB1      ALA  45 -22.650   7.319 -27.101
  336    HB2  ALA  45           HB2      ALA  45 -24.011   6.969 -28.178
  337    HB3  ALA  45           HB3      ALA  45 -22.859   5.686 -27.772
  338    H    GLY  46           H        GLY  46 -23.775   8.133 -30.832
  339    HA2  GLY  46           HA2      GLY  46 -23.329  10.999 -30.324
  340    HA3  GLY  46           HA3      GLY  46 -22.584  10.391 -31.788
  341    H    SER  47           H        SER  47 -23.816  10.450 -33.604
  342    HA   SER  47           HA       SER  47 -26.657  11.029 -33.643
  343    HB2  SER  47           HB2      SER  47 -26.393  10.527 -36.081
  344    HB3  SER  47           HB3      SER  47 -25.258  11.730 -35.465
  345    HG   SER  47           HG       SER  47 -24.215  10.161 -36.818
  346    H    SER  48           H        SER  48 -24.805   8.058 -33.456
  347    HA   SER  48           HA       SER  48 -27.351   6.477 -33.329
  348    HB2  SER  48           HB2      SER  48 -24.623   5.548 -34.324
  349    HB3  SER  48           HB3      SER  48 -26.026   4.504 -34.053
  350    HG   SER  48           HG       SER  48 -25.870   6.671 -35.929
  351    H    SER  49           H        SER  49 -27.490   4.959 -31.613
  352    HA   SER  49           HA       SER  49 -25.989   5.734 -29.244
  353    HB2  SER  49           HB2      SER  49 -28.488   5.272 -29.449
  354    HB3  SER  49           HB3      SER  49 -28.077   3.549 -29.416
  355    HG   SER  49           HG       SER  49 -28.523   4.420 -27.298
  356    H    VAL  50           H        VAL  50 -24.109   4.785 -30.814
  357    HA   VAL  50           HA       VAL  50 -23.559   1.926 -30.449
  358    HB   VAL  50           HB       VAL  50 -21.494   2.308 -31.717
  359   HG11  VAL  50          HG11      VAL  50 -23.598   1.730 -32.829
  360   HG12  VAL  50          HG12      VAL  50 -23.995   3.450 -33.009
  361   HG13  VAL  50          HG13      VAL  50 -22.587   2.767 -33.848
  362   HG21  VAL  50          HG21      VAL  50 -21.013   4.419 -32.821
  363   HG22  VAL  50          HG22      VAL  50 -22.395   5.202 -32.044
  364   HG23  VAL  50          HG23      VAL  50 -21.001   4.675 -31.076
  365    H    PHE  51           H        PHE  51 -23.832   2.824 -27.964
  366    HA   PHE  51           HA       PHE  51 -21.660   3.917 -26.573
  367    HB2  PHE  51           HB2      PHE  51 -23.971   3.622 -25.727
  368    HB3  PHE  51           HB3      PHE  51 -23.718   1.886 -25.614
  369    HD1  PHE  51           HD1      PHE  51 -22.222   0.929 -23.855
  370    HD2  PHE  51           HD2      PHE  51 -23.026   5.161 -24.085
  371    HE1  PHE  51           HE1      PHE  51 -21.304   1.230 -21.571
  372    HE2  PHE  51           HE2      PHE  51 -22.120   5.453 -21.793
  373    HZ   PHE  51           HZ       PHE  51 -21.249   3.495 -20.538
  374    H    SER  52           H        SER  52 -22.202   0.456 -27.336
  375    HA   SER  52           HA       SER  52 -19.976  -0.559 -25.865
  376    HB2  SER  52           HB2      SER  52 -21.308  -1.740 -28.332
  377    HB3  SER  52           HB3      SER  52 -20.366  -2.609 -27.105
  378    HG   SER  52           HG       SER  52 -22.648  -2.800 -26.740
  379    H    VAL  53           H        VAL  53 -19.848   1.337 -28.681
  380    HA   VAL  53           HA       VAL  53 -17.291   0.171 -29.687
  381    HB   VAL  53           HB       VAL  53 -18.891   2.517 -30.792
  382   HG11  VAL  53          HG11      VAL  53 -16.498   2.632 -31.387
  383   HG12  VAL  53          HG12      VAL  53 -16.540   0.948 -31.952
  384   HG13  VAL  53          HG13      VAL  53 -17.467   2.206 -32.798
  385   HG21  VAL  53          HG21      VAL  53 -20.187   0.441 -31.066
  386   HG22  VAL  53          HG22      VAL  53 -19.530   0.958 -32.618
  387   HG23  VAL  53          HG23      VAL  53 -18.760  -0.381 -31.738
  388    H    LEU  54           H        LEU  54 -15.398   1.024 -29.113
  389    HA   LEU  54           HA       LEU  54 -15.221   2.966 -27.013
  390    HB2  LEU  54           HB2      LEU  54 -13.697   1.115 -27.129
  391    HB3  LEU  54           HB3      LEU  54 -13.166   1.547 -28.749
  392    HG   LEU  54           HG       LEU  54 -12.039   3.546 -27.905
  393   HD11  LEU  54          HD11      LEU  54 -13.447   4.154 -25.998
  394   HD12  LEU  54          HD12      LEU  54 -12.993   2.663 -25.149
  395   HD13  LEU  54          HD13      LEU  54 -11.788   3.934 -25.458
  396   HD21  LEU  54          HD21      LEU  54 -10.244   2.421 -26.670
  397   HD22  LEU  54          HD22      LEU  54 -11.318   1.041 -26.332
  398   HD23  LEU  54          HD23      LEU  54 -10.827   1.409 -27.998
  399    H    SER  55           H        SER  55 -13.638   3.227 -30.215
  400    HA   SER  55           HA       SER  55 -13.018   4.963 -31.541
  401    HB2  SER  55           HB2      SER  55 -15.310   6.487 -30.260
  402    HB3  SER  55           HB3      SER  55 -14.406   6.966 -31.700
  403    HG   SER  55           HG       SER  55 -16.260   5.881 -32.382
  404    H    ASN  56           H        ASN  56 -13.358   5.935 -28.150
  405    HA   ASN  56           HA       ASN  56 -11.588   8.231 -28.363
  406    HB2  ASN  56           HB2      ASN  56 -12.819   6.796 -25.974
  407    HB3  ASN  56           HB3      ASN  56 -11.956   8.331 -25.900
  408   HD21  ASN  56          HD22      ASN  56 -14.992   6.796 -26.687
  409   HD22  ASN  56          HD21      ASN  56 -15.859   8.267 -27.066
  410    H    SER  57           H        SER  57  -9.537   8.512 -27.346
  411    HA   SER  57           HA       SER  57  -8.040   6.063 -26.482
  412    HB2  SER  57           HB2      SER  57  -7.120   8.072 -28.572
  413    HB3  SER  57           HB3      SER  57  -6.115   6.804 -27.849
  414    HG   SER  57           HG       SER  57  -7.060   6.189 -29.912
  415    H    ALA  58           H        ALA  58  -6.164   6.481 -25.216
  416    HA   ALA  58           HA       ALA  58  -6.145   9.063 -23.724
  417    HB1  ALA  58           HB1      ALA  58  -4.569   7.781 -22.238
  418    HB2  ALA  58           HB2      ALA  58  -6.145   7.015 -22.370
  419    HB3  ALA  58           HB3      ALA  58  -4.768   6.358 -23.282
  420    H    GLU  59           H        GLU  59  -4.060  10.190 -23.489
  421    HA   GLU  59           HA       GLU  59  -2.159   9.736 -25.769
  422    HB2  GLU  59           HB2      GLU  59  -3.741  11.714 -26.087
  423    HB3  GLU  59           HB3      GLU  59  -2.942  12.474 -24.691
  424    HG2  GLU  59           HG2      GLU  59  -0.755  12.305 -25.887
  425    HG3  GLU  59           HG3      GLU  59  -1.562  11.564 -27.266
  426    H    VAL  60           H        VAL  60  -0.003   9.725 -25.205
  427    HA   VAL  60           HA       VAL  60   0.745  10.111 -22.379
  428    HB   VAL  60           HB       VAL  60   2.548   9.806 -24.781
  429   HG11  VAL  60          HG11      VAL  60   3.679  10.813 -22.776
  430   HG12  VAL  60          HG12      VAL  60   3.100   9.478 -21.787
  431   HG13  VAL  60          HG13      VAL  60   4.277   9.188 -23.092
  432   HG21  VAL  60          HG21      VAL  60   2.810   7.442 -24.055
  433   HG22  VAL  60          HG22      VAL  60   1.619   7.700 -22.763
  434   HG23  VAL  60          HG23      VAL  60   1.133   7.805 -24.464
  435    H    LYS  61           H        LYS  61   1.095  12.021 -21.486
  436    HA   LYS  61           HA       LYS  61   1.927  14.393 -23.138
  437    HB2  LYS  61           HB2      LYS  61  -0.198  14.126 -20.968
  438    HB3  LYS  61           HB3      LYS  61   0.432  15.686 -21.514
  439    HG2  LYS  61           HG2      LYS  61  -0.321  15.208 -23.821
  440    HG3  LYS  61           HG3      LYS  61  -0.989  13.650 -23.299
  441    HD2  LYS  61           HD2      LYS  61  -2.492  14.773 -21.738
  442    HD3  LYS  61           HD3      LYS  61  -1.842  16.357 -22.164
  443    HE2  LYS  61           HE2      LYS  61  -3.423  14.467 -23.977
  444    HE3  LYS  61           HE3      LYS  61  -4.043  15.903 -23.174
  445    HZ1  LYS  61           HZ1      LYS  61  -2.361  17.204 -24.495
  446    HZ2  LYS  61           HZ2      LYS  61  -2.044  15.831 -25.371
  447    HZ3  LYS  61           HZ3      LYS  61  -3.526  16.504 -25.400
  448    H    ARG  62           H        ARG  62   2.971  16.102 -21.956
  449    HA   ARG  62           HA       ARG  62   4.480  15.285 -19.493
  450    HB2  ARG  62           HB2      ARG  62   5.918  15.488 -21.494
  451    HB3  ARG  62           HB3      ARG  62   5.271  17.087 -21.823
  452    HG2  ARG  62           HG2      ARG  62   6.267  17.902 -19.653
  453    HG3  ARG  62           HG3      ARG  62   6.978  16.299 -19.413
  454    HD2  ARG  62           HD2      ARG  62   8.304  16.546 -21.462
  455    HD3  ARG  62           HD3      ARG  62   7.490  18.052 -21.874
  456    HE   ARG  62           HE       ARG  62   9.671  17.675 -19.990
  457   HH11  ARG  62          HH11      ARG  62   7.108  19.941 -20.921
  458   HH12  ARG  62          HH12      ARG  62   7.874  21.269 -20.103
  459   HH21  ARG  62          HH21      ARG  62  10.570  19.434 -18.921
  460   HH22  ARG  62          HH22      ARG  62   9.783  20.976 -18.977
  461    H    GLU  63           H        GLU  63   3.748  16.418 -17.720
  462    HA   GLU  63           HA       GLU  63   3.356  19.352 -17.914
  463    HB2  GLU  63           HB2      GLU  63   1.211  17.483 -16.817
  464    HB3  GLU  63           HB3      GLU  63   1.222  19.233 -16.630
  465    HG2  GLU  63           HG2      GLU  63   1.236  19.403 -19.165
  466    HG3  GLU  63           HG3      GLU  63   0.862  17.672 -19.198
  467    H    ARG  64           H        ARG  64   2.821  20.162 -15.505
  468    HA   ARG  64           HA       ARG  64   5.076  19.256 -13.875
  469    HB2  ARG  64           HB2      ARG  64   2.993  21.426 -13.431
  470    HB3  ARG  64           HB3      ARG  64   4.323  21.060 -12.320
  471    HG2  ARG  64           HG2      ARG  64   5.966  21.475 -14.153
  472    HG3  ARG  64           HG3      ARG  64   4.630  21.936 -15.221
  473    HD2  ARG  64           HD2      ARG  64   4.030  23.776 -13.652
  474    HD3  ARG  64           HD3      ARG  64   5.398  23.316 -12.617
  475    HE   ARG  64           HE       ARG  64   6.325  23.728 -15.291
  476   HH11  ARG  64          HH11      ARG  64   5.189  25.700 -12.574
  477   HH12  ARG  64          HH12      ARG  64   6.078  27.093 -13.106
  478   HH21  ARG  64          HH21      ARG  64   7.420  25.543 -15.924
  479   HH22  ARG  64          HH22      ARG  64   7.340  27.000 -14.977
  480    H    LEU  65           H        LEU  65   5.043  18.120 -11.974
  481    HA   LEU  65           HA       LEU  65   2.977  16.267 -11.430
  482    HB2  LEU  65           HB2      LEU  65   5.284  15.955 -10.666
  483    HB3  LEU  65           HB3      LEU  65   5.173  17.351  -9.610
  484    HG   LEU  65           HG       LEU  65   3.487  16.213  -8.207
  485   HD11  LEU  65          HD11      LEU  65   3.966  13.739  -9.926
  486   HD12  LEU  65          HD12      LEU  65   2.984  13.833  -8.456
  487   HD13  LEU  65          HD13      LEU  65   2.461  14.685  -9.913
  488   HD21  LEU  65          HD21      LEU  65   4.994  14.580  -7.187
  489   HD22  LEU  65          HD22      LEU  65   5.965  14.500  -8.665
  490   HD23  LEU  65          HD23      LEU  65   5.914  16.001  -7.705
  491    H    GLU  66           H        GLU  66   3.593  19.369  -9.678
  492    HA   GLU  66           HA       GLU  66   1.495  19.205  -7.836
  493    HB2  GLU  66           HB2      GLU  66   2.124  21.841  -9.205
  494    HB3  GLU  66           HB3      GLU  66   1.630  21.537  -7.537
  495    HG2  GLU  66           HG2      GLU  66   3.872  20.354  -7.240
  496    HG3  GLU  66           HG3      GLU  66   4.282  20.962  -8.863
  497    H    ASP  67           H        ASP  67   1.370  20.597 -11.133
  498    HA   ASP  67           HA       ASP  67  -1.371  21.256 -11.054
  499    HB2  ASP  67           HB2      ASP  67   0.278  22.198 -12.648
  500    HB3  ASP  67           HB3      ASP  67   0.342  20.651 -13.491
  501    H    VAL  68           H        VAL  68   0.269  18.385 -12.407
  502    HA   VAL  68           HA       VAL  68  -2.017  16.987 -13.328
  503    HB   VAL  68           HB       VAL  68   0.743  16.072 -12.472
  504   HG11  VAL  68          HG11      VAL  68  -0.624  14.088 -12.126
  505   HG12  VAL  68          HG12      VAL  68  -1.427  14.313 -13.698
  506   HG13  VAL  68          HG13      VAL  68   0.296  13.894 -13.615
  507   HG21  VAL  68          HG21      VAL  68   0.495  17.438 -14.559
  508   HG22  VAL  68          HG22      VAL  68   1.081  15.804 -14.888
  509   HG23  VAL  68          HG23      VAL  68  -0.615  16.216 -15.203
  510    H    VAL  69           H        VAL  69  -0.427  16.909 -10.128
  511    HA   VAL  69           HA       VAL  69  -2.168  14.792  -9.197
  512    HB   VAL  69           HB       VAL  69   0.387  15.133  -8.860
  513   HG11  VAL  69          HG11      VAL  69  -0.489  16.461  -6.269
  514   HG12  VAL  69          HG12      VAL  69   1.154  16.122  -6.834
  515   HG13  VAL  69          HG13      VAL  69   0.171  17.354  -7.646
  516   HG21  VAL  69          HG21      VAL  69  -0.934  13.238  -8.083
  517   HG22  VAL  69          HG22      VAL  69   0.404  13.664  -7.027
  518   HG23  VAL  69          HG23      VAL  69  -1.263  14.089  -6.555
  519    H    GLY  70           H        GLY  70  -2.639  18.097  -9.290
  520    HA2  GLY  70           HA2      GLY  70  -3.402  18.900  -6.742
  521    HA3  GLY  70           HA3      GLY  70  -4.092  19.546  -8.230
  522    H    GLY  71           H        GLY  71  -5.015  18.544  -5.388
  523    HA2  GLY  71           HA2      GLY  71  -7.078  17.928  -4.520
  524    HA3  GLY  71           HA3      GLY  71  -7.670  17.585  -6.158
  525    H    CYS  72           H        CYS  72  -4.830  15.868  -5.865
  526    HA   CYS  72           HA       CYS  72  -6.217  13.358  -4.969
  527    HB2  CYS  72           HB2      CYS  72  -3.960  13.662  -7.001
  528    HB3  CYS  72           HB3      CYS  72  -4.853  12.187  -6.604
  529    HG   CYS  72           HG       CYS  72  -6.024  15.021  -7.928
  530    H    CYS  73           H        CYS  73  -4.993  11.866  -3.750
  531    HA   CYS  73           HA       CYS  73  -2.528  12.861  -2.392
  532    HB2  CYS  73           HB2      CYS  73  -4.179  10.312  -2.007
  533    HB3  CYS  73           HB3      CYS  73  -2.768  10.769  -1.044
  534    HG   CYS  73           HG       CYS  73  -3.729  13.072  -0.181
  535    H    TYR  74           H        TYR  74  -0.547  11.443  -2.399
  536    HA   TYR  74           HA       TYR  74  -0.291   9.488  -4.547
  537    HB2  TYR  74           HB2      TYR  74   1.141  10.666  -6.018
  538    HB3  TYR  74           HB3      TYR  74  -0.252  11.687  -5.770
  539    HD1  TYR  74           HD1      TYR  74  -0.040  13.705  -4.170
  540    HD2  TYR  74           HD2      TYR  74   3.348  11.407  -5.533
  541    HE1  TYR  74           HE1      TYR  74   1.471  15.596  -3.600
  542    HE2  TYR  74           HE2      TYR  74   4.859  13.295  -4.960
  543    HH   TYR  74           HH       TYR  74   3.650  16.379  -3.571
  544    H    ARG  75           H        ARG  75   1.941   8.730  -4.906
  545    HA   ARG  75           HA       ARG  75   4.023   9.339  -2.959
  546    HB2  ARG  75           HB2      ARG  75   4.206   7.137  -1.946
  547    HB3  ARG  75           HB3      ARG  75   2.601   7.788  -1.631
  548    HG2  ARG  75           HG2      ARG  75   1.671   6.368  -3.471
  549    HG3  ARG  75           HG3      ARG  75   3.287   5.708  -3.765
  550    HD2  ARG  75           HD2      ARG  75   3.353   4.799  -1.471
  551    HD3  ARG  75           HD3      ARG  75   1.717   5.444  -1.177
  552    HE   ARG  75           HE       ARG  75   1.701   3.838  -3.557
  553   HH11  ARG  75          HH11      ARG  75   1.910   3.273  -0.050
  554   HH12  ARG  75          HH12      ARG  75   1.163   1.712  -0.208
  555   HH21  ARG  75          HH21      ARG  75   0.774   2.015  -3.681
  556   HH22  ARG  75          HH22      ARG  75   0.497   0.959  -2.292
  557    H    VAL  76           H        VAL  76   6.018   8.144  -3.367
  558    HA   VAL  76           HA       VAL  76   6.439   7.390  -6.207
  559    HB   VAL  76           HB       VAL  76   8.352   7.438  -3.836
  560   HG11  VAL  76          HG11      VAL  76   9.148   5.748  -5.397
  561   HG12  VAL  76          HG12      VAL  76   8.890   6.838  -6.772
  562   HG13  VAL  76          HG13      VAL  76  10.149   7.184  -5.566
  563   HG21  VAL  76          HG21      VAL  76   7.629   9.703  -4.602
  564   HG22  VAL  76          HG22      VAL  76   9.340   9.394  -4.905
  565   HG23  VAL  76          HG23      VAL  76   8.181   9.300  -6.246
  566    H    ASN  77           H        ASN  77   6.517   5.281  -6.893
  567    HA   ASN  77           HA       ASN  77   6.713   3.064  -4.930
  568    HB2  ASN  77           HB2      ASN  77   4.310   3.665  -5.072
  569    HB3  ASN  77           HB3      ASN  77   4.327   3.331  -6.802
  570   HD21  ASN  77          HD22      ASN  77   2.507   1.928  -5.440
  571   HD22  ASN  77          HD21      ASN  77   3.035   0.262  -5.210
  572    H    ASN  78           H        ASN  78   8.790   3.033  -5.977
  573    HA   ASN  78           HA       ASN  78   9.030   2.087  -8.742
  574    HB2  ASN  78           HB2      ASN  78  11.054   2.403  -6.485
  575    HB3  ASN  78           HB3      ASN  78  11.463   1.934  -8.132
  576   HD21  ASN  78          HD22      ASN  78  12.542   4.238  -6.801
  577   HD22  ASN  78          HD21      ASN  78  12.016   5.632  -7.735
  578    H    SER  79           H        SER  79   7.380   0.271  -8.147
  579    HA   SER  79           HA       SER  79   7.991  -1.787  -6.317
  580    HB2  SER  79           HB2      SER  79   6.215  -3.034  -7.585
  581    HB3  SER  79           HB3      SER  79   5.752  -1.398  -7.088
  582    HG   SER  79           HG       SER  79   5.190  -1.840  -9.304
  583    H    LEU  80           H        LEU  80   8.605  -1.671  -9.836
  584    HA   LEU  80           HA       LEU  80   9.602  -4.346  -9.976
  585    HB2  LEU  80           HB2      LEU  80  10.079  -2.103 -11.977
  586    HB3  LEU  80           HB3      LEU  80  10.221  -3.844 -12.247
  587    HG   LEU  80           HG       LEU  80   7.655  -2.282 -11.775
  588   HD11  LEU  80          HD11      LEU  80   8.732  -3.869 -14.147
  589   HD12  LEU  80          HD12      LEU  80   7.110  -3.163 -14.037
  590   HD13  LEU  80          HD13      LEU  80   8.539  -2.106 -14.040
  591   HD21  LEU  80          HD21      LEU  80   8.050  -5.297 -11.994
  592   HD22  LEU  80          HD22      LEU  80   7.399  -4.396 -10.603
  593   HD23  LEU  80          HD23      LEU  80   6.481  -4.461 -12.107
  594    H    ASP  81           H        ASP  81  11.176  -1.684  -8.652
  595    HA   ASP  81           HA       ASP  81  13.918  -2.242  -9.294
  596    HB2  ASP  81           HB2      ASP  81  12.840  -0.265  -7.955
  597    HB3  ASP  81           HB3      ASP  81  12.888  -1.388  -6.571
  598    H    HIS  82           H        HIS  82  11.622  -3.795  -7.205
  599    HA   HIS  82           HA       HIS  82  13.518  -5.504  -5.762
  600    HB2  HIS  82           HB2      HIS  82  11.414  -4.578  -4.853
  601    HB3  HIS  82           HB3      HIS  82  10.488  -5.439  -6.078
  602    HD1  HIS  82           HD1      HIS  82  10.223  -8.117  -5.792
  603    HD2  HIS  82           HD2      HIS  82  12.280  -6.060  -2.740
  604    HE1  HIS  82           HE1      HIS  82  10.357  -9.721  -3.810
  605    H    GLU  83           H        GLU  83  12.204  -5.535  -8.921
  606    HA   GLU  83           HA       GLU  83  12.205  -8.505  -9.183
  607    HB2  GLU  83           HB2      GLU  83  10.970  -6.375 -10.988
  608    HB3  GLU  83           HB3      GLU  83  10.862  -8.124 -11.192
  609    HG2  GLU  83           HG2      GLU  83   9.655  -6.446  -8.957
  610    HG3  GLU  83           HG3      GLU  83   8.800  -7.281 -10.242
  611    H    TYR  84           H        TYR  84  13.416  -5.522 -10.699
  612    HA   TYR  84           HA       TYR  84  15.571  -7.077 -12.067
  613    HB2  TYR  84           HB2      TYR  84  14.294  -4.561 -13.176
  614    HB3  TYR  84           HB3      TYR  84  15.349  -5.692 -14.003
  615    HD1  TYR  84           HD1      TYR  84  14.445  -8.103 -14.419
  616    HD2  TYR  84           HD2      TYR  84  11.964  -4.808 -13.202
  617    HE1  TYR  84           HE1      TYR  84  12.419  -9.390 -15.087
  618    HE2  TYR  84           HE2      TYR  84   9.932  -6.080 -13.843
  619    HH   TYR  84           HH       TYR  84   9.095  -8.071 -14.704
  620    H    GLN  85           H        GLN  85  17.551  -5.912 -12.521
  621    HA   GLN  85           HA       GLN  85  18.515  -4.423 -10.278
  622    HB2  GLN  85           HB2      GLN  85  19.687  -5.065 -13.011
  623    HB3  GLN  85           HB3      GLN  85  20.590  -4.162 -11.801
  624    HG2  GLN  85           HG2      GLN  85  19.452  -6.952 -11.398
  625    HG3  GLN  85           HG3      GLN  85  21.132  -6.585 -11.785
  626   HE21  GLN  85          HE22      GLN  85  19.891  -7.950  -9.338
  627   HE22  GLN  85          HE21      GLN  85  20.515  -7.006  -7.994
  628    HA   PRO  86           HA       PRO  86  17.846  -0.124 -11.246
  629    HB2  PRO  86           HB2      PRO  86  20.836   0.262 -11.079
  630    HB3  PRO  86           HB3      PRO  86  19.524   1.239 -10.344
  631    HG2  PRO  86           HG2      PRO  86  20.882  -0.562  -8.838
  632    HG3  PRO  86           HG3      PRO  86  19.099  -0.457  -8.697
  633    HD2  PRO  86           HD2      PRO  86  20.760  -2.432 -10.268
  634    HD3  PRO  86           HD3      PRO  86  19.347  -2.727  -9.209
  635    H    ARG  87           H        ARG  87  17.391   0.763 -13.166
  636    HA   ARG  87           HA       ARG  87  19.025   0.111 -15.585
  637    HB2  ARG  87           HB2      ARG  87  16.225   1.280 -15.348
  638    HB3  ARG  87           HB3      ARG  87  17.008   0.813 -16.847
  639    HG2  ARG  87           HG2      ARG  87  16.107  -1.056 -14.611
  640    HG3  ARG  87           HG3      ARG  87  15.314  -0.782 -16.151
  641    HD2  ARG  87           HD2      ARG  87  16.381  -2.866 -16.358
  642    HD3  ARG  87           HD3      ARG  87  17.335  -1.719 -17.320
  643    HE   ARG  87           HE       ARG  87  18.223  -2.138 -14.538
  644   HH11  ARG  87          HH11      ARG  87  18.456  -3.743 -17.659
  645   HH12  ARG  87          HH12      ARG  87  20.122  -4.179 -17.435
  646   HH21  ARG  87          HH21      ARG  87  20.484  -2.458 -14.438
  647   HH22  ARG  87          HH22      ARG  87  21.217  -3.568 -15.556
  648    HA   PRO  88           HA       PRO  88  20.634   4.224 -15.700
  649    HB2  PRO  88           HB2      PRO  88  21.017   4.755 -18.357
  650    HB3  PRO  88           HB3      PRO  88  21.962   3.549 -17.434
  651    HG2  PRO  88           HG2      PRO  88  19.549   3.048 -19.187
  652    HG3  PRO  88           HG3      PRO  88  21.119   2.188 -19.200
  653    HD2  PRO  88           HD2      PRO  88  18.933   1.243 -17.918
  654    HD3  PRO  88           HD3      PRO  88  20.571   1.030 -17.221
  655    H    VAL  89           H        VAL  89  19.389   5.839 -14.983
  656    HA   VAL  89           HA       VAL  89  16.705   6.233 -15.621
  657    HB   VAL  89           HB       VAL  89  18.738   8.006 -14.267
  658   HG11  VAL  89          HG11      VAL  89  17.155   9.639 -15.124
  659   HG12  VAL  89          HG12      VAL  89  15.781   8.667 -14.539
  660   HG13  VAL  89          HG13      VAL  89  16.918   9.429 -13.399
  661   HG21  VAL  89          HG21      VAL  89  17.475   7.372 -12.252
  662   HG22  VAL  89          HG22      VAL  89  16.307   6.472 -13.245
  663   HG23  VAL  89          HG23      VAL  89  17.987   5.922 -13.126
  664    H    GLU  90           H        GLU  90  19.456   7.881 -17.163
  665    HA   GLU  90           HA       GLU  90  17.978   9.796 -18.617
  666    HB2  GLU  90           HB2      GLU  90  19.864   9.921 -20.128
  667    HB3  GLU  90           HB3      GLU  90  20.395   9.833 -18.449
  668    HG2  GLU  90           HG2      GLU  90  20.925   7.392 -18.792
  669    HG3  GLU  90           HG3      GLU  90  20.498   7.584 -20.496
  670    H    VAL  91           H        VAL  91  18.511   6.361 -19.344
  671    HA   VAL  91           HA       VAL  91  17.287   6.461 -21.960
  672    HB   VAL  91           HB       VAL  91  17.644   4.004 -20.215
  673   HG11  VAL  91          HG11      VAL  91  17.259   4.283 -23.225
  674   HG12  VAL  91          HG12      VAL  91  17.603   2.771 -22.353
  675   HG13  VAL  91          HG13      VAL  91  16.076   3.611 -22.078
  676   HG21  VAL  91          HG21      VAL  91  19.504   5.176 -22.331
  677   HG22  VAL  91          HG22      VAL  91  19.842   5.054 -20.589
  678   HG23  VAL  91          HG23      VAL  91  19.694   3.585 -21.555
  679    H    ILE  92           H        ILE  92  16.077   5.695 -18.660
  680    HA   ILE  92           HA       ILE  92  13.392   4.966 -19.404
  681    HB   ILE  92           HB       ILE  92  14.237   6.432 -16.860
  682   HG12  ILE  92          HG12      ILE  92  14.314   3.415 -17.370
  683   HG13  ILE  92          HG13      ILE  92  15.720   4.465 -17.201
  684   HG21  ILE  92          HG21      ILE  92  12.007   4.397 -17.286
  685   HG22  ILE  92          HG22      ILE  92  12.297   5.402 -15.852
  686   HG23  ILE  92          HG23      ILE  92  11.752   6.152 -17.348
  687   HD11  ILE  92          HD11      ILE  92  14.900   5.097 -14.896
  688   HD12  ILE  92          HD12      ILE  92  13.735   3.753 -15.033
  689   HD13  ILE  92          HD13      ILE  92  15.479   3.443 -15.103
  690    H    ILE  93           H        ILE  93  14.743   8.168 -18.491
  691    HA   ILE  93           HA       ILE  93  12.333   9.619 -19.060
  692    HB   ILE  93           HB       ILE  93  15.245  10.425 -18.753
  693   HG12  ILE  93          HG12      ILE  93  12.784  10.828 -16.960
  694   HG13  ILE  93          HG13      ILE  93  13.909   9.488 -16.765
  695   HG21  ILE  93          HG21      ILE  93  14.449  12.798 -18.523
  696   HG22  ILE  93          HG22      ILE  93  14.214  12.167 -20.140
  697   HG23  ILE  93          HG23      ILE  93  12.827  12.280 -19.033
  698   HD11  ILE  93          HD11      ILE  93  15.742  11.113 -16.308
  699   HD12  ILE  93          HD12      ILE  93  14.541  12.427 -16.325
  700   HD13  ILE  93          HD13      ILE  93  14.415  11.135 -15.123
  701    H    SER  94           H        SER  94  15.115   8.817 -21.157
  702    HA   SER  94           HA       SER  94  14.253  10.403 -23.367
  703    HB2  SER  94           HB2      SER  94  16.519   9.394 -23.111
  704    HB3  SER  94           HB3      SER  94  15.815   7.794 -23.431
  705    HG   SER  94           HG       SER  94  16.715   8.817 -25.334
  706    H    SER  95           H        SER  95  13.535   7.049 -22.426
  707    HA   SER  95           HA       SER  95  11.794   6.444 -24.595
  708    HB2  SER  95           HB2      SER  95  11.265   4.508 -23.438
  709    HB3  SER  95           HB3      SER  95  12.906   4.912 -22.860
  710    HG   SER  95           HG       SER  95  11.764   5.859 -20.971
  711    H    ALA  96           H        ALA  96  11.078   7.912 -21.381
  712    HA   ALA  96           HA       ALA  96   8.280   8.156 -21.700
  713    HB1  ALA  96           HB1      ALA  96   8.484   9.698 -19.848
  714    HB2  ALA  96           HB2      ALA  96   9.729   8.466 -19.612
  715    HB3  ALA  96           HB3      ALA  96  10.176  10.058 -20.242
  716    H    LYS  97           H        LYS  97  10.917  10.477 -22.558
  717    HA   LYS  97           HA       LYS  97   9.247  12.470 -23.718
  718    HB2  LYS  97           HB2      LYS  97  12.173  11.712 -24.065
  719    HB3  LYS  97           HB3      LYS  97  11.456  13.111 -24.869
  720    HG2  LYS  97           HG2      LYS  97  10.920  14.183 -22.781
  721    HG3  LYS  97           HG3      LYS  97  11.373  12.751 -21.839
  722    HD2  LYS  97           HD2      LYS  97  13.687  12.934 -22.523
  723    HD3  LYS  97           HD3      LYS  97  13.300  14.254 -23.650
  724    HE2  LYS  97           HE2      LYS  97  12.531  15.655 -21.715
  725    HE3  LYS  97           HE3      LYS  97  13.029  14.367 -20.605
  726    HZ1  LYS  97           HZ1      LYS  97  14.845  15.857 -22.452
  727    HZ2  LYS  97           HZ2      LYS  97  14.759  16.076 -20.834
  728    HZ3  LYS  97           HZ3      LYS  97  15.330  14.667 -21.439
  729    H    GLU  98           H        GLU  98  10.835   9.660 -25.253
  730    HA   GLU  98           HA       GLU  98   9.908  10.224 -27.899
  731    HB2  GLU  98           HB2      GLU  98  10.754   7.637 -26.550
  732    HB3  GLU  98           HB3      GLU  98  10.211   7.700 -28.228
  733    HG2  GLU  98           HG2      GLU  98  11.955   9.390 -28.743
  734    HG3  GLU  98           HG3      GLU  98  12.604   9.209 -27.116
  735    H    MET  99           H        MET  99   8.376   8.449 -25.213
  736    HA   MET  99           HA       MET  99   6.101   7.635 -26.740
  737    HB2  MET  99           HB2      MET  99   6.621   7.750 -23.767
  738    HB3  MET  99           HB3      MET  99   5.127   7.130 -24.487
  739    HG2  MET  99           HG2      MET  99   7.863   6.095 -25.328
  740    HG3  MET  99           HG3      MET  99   7.021   5.415 -23.966
  741    HE1  MET  99           HE1      MET  99   4.247   4.759 -24.387
  742    HE2  MET  99           HE2      MET  99   4.304   3.253 -25.333
  743    HE3  MET  99           HE3      MET  99   5.504   3.541 -24.057
  744    H    VAL 100           H        VAL 100   6.616  10.489 -24.633
  745    HA   VAL 100           HA       VAL 100   4.077  11.643 -24.714
  746    HB   VAL 100           HB       VAL 100   6.731  13.067 -25.031
  747   HG11  VAL 100          HG11      VAL 100   5.027  14.612 -25.920
  748   HG12  VAL 100          HG12      VAL 100   3.987  14.312 -24.507
  749   HG13  VAL 100          HG13      VAL 100   5.540  15.142 -24.319
  750   HG21  VAL 100          HG21      VAL 100   6.484  13.575 -22.698
  751   HG22  VAL 100          HG22      VAL 100   4.825  12.939 -22.654
  752   HG23  VAL 100          HG23      VAL 100   6.193  11.840 -22.858
  753    H    GLY 101           H        GLY 101   2.696  12.304 -26.094
  754    HA2  GLY 101           HA2      GLY 101   1.877  13.382 -28.039
  755    HA3  GLY 101           HA3      GLY 101   3.388  13.005 -28.915
  756    H    GLN 102           H        GLN 102   2.885  10.095 -27.560
  757    HA   GLN 102           HA       GLN 102   1.388   9.101 -29.840
  758    HB2  GLN 102           HB2      GLN 102   2.882   7.611 -27.649
  759    HB3  GLN 102           HB3      GLN 102   2.124   6.882 -29.060
  760    HG2  GLN 102           HG2      GLN 102   3.637   8.267 -30.541
  761    HG3  GLN 102           HG3      GLN 102   4.458   8.853 -29.097
  762   HE21  GLN 102          HE22      GLN 102   6.494   7.829 -29.022
  763   HE22  GLN 102          HE21      GLN 102   6.683   6.106 -29.321
  764    H    LYS 103           H        LYS 103  -0.294   7.520 -29.587
  765    HA   LYS 103           HA       LYS 103  -2.049   8.019 -27.230
  766    HB2  LYS 103           HB2      LYS 103  -2.760   7.727 -30.176
  767    HB3  LYS 103           HB3      LYS 103  -3.947   7.691 -28.865
  768    HG2  LYS 103           HG2      LYS 103  -3.308   9.950 -28.145
  769    HG3  LYS 103           HG3      LYS 103  -2.070  10.033 -29.416
  770    HD2  LYS 103           HD2      LYS 103  -3.827   9.789 -31.151
  771    HD3  LYS 103           HD3      LYS 103  -5.074   9.718 -29.884
  772    HE2  LYS 103           HE2      LYS 103  -4.411  11.979 -29.095
  773    HE3  LYS 103           HE3      LYS 103  -3.127  12.044 -30.306
  774    HZ1  LYS 103           HZ1      LYS 103  -4.834  11.964 -32.048
  775    HZ2  LYS 103           HZ2      LYS 103  -6.033  11.904 -30.931
  776    HZ3  LYS 103           HZ3      LYS 103  -5.095  13.236 -31.057
  777    H    MET 104           H        MET 104  -3.281   6.417 -26.400
  778    HA   MET 104           HA       MET 104  -2.810   3.568 -27.202
  779    HB2  MET 104           HB2      MET 104  -2.343   4.741 -24.422
  780    HB3  MET 104           HB3      MET 104  -2.313   3.038 -24.823
  781    HG2  MET 104           HG2      MET 104  -0.086   3.684 -24.615
  782    HG3  MET 104           HG3      MET 104  -0.364   3.445 -26.342
  783    HE1  MET 104           HE1      MET 104   2.144   4.608 -25.083
  784    HE2  MET 104           HE2      MET 104   1.954   4.570 -26.851
  785    HE3  MET 104           HE3      MET 104   2.501   6.054 -26.040
  786    H    LYS 105           H        LYS 105  -4.181   2.079 -25.715
  787    HA   LYS 105           HA       LYS 105  -6.939   2.819 -25.737
  788    HB2  LYS 105           HB2      LYS 105  -5.446   0.611 -24.250
  789    HB3  LYS 105           HB3      LYS 105  -7.208   0.759 -24.292
  790    HG2  LYS 105           HG2      LYS 105  -7.205   0.548 -26.756
  791    HG3  LYS 105           HG3      LYS 105  -5.444   0.467 -26.768
  792    HD2  LYS 105           HD2      LYS 105  -6.296  -1.745 -27.025
  793    HD3  LYS 105           HD3      LYS 105  -5.527  -1.631 -25.439
  794    HE2  LYS 105           HE2      LYS 105  -7.754  -1.387 -24.356
  795    HE3  LYS 105           HE3      LYS 105  -8.539  -1.398 -25.943
  796    HZ1  LYS 105           HZ1      LYS 105  -7.722  -3.680 -26.258
  797    HZ2  LYS 105           HZ2      LYS 105  -7.000  -3.672 -24.788
  798    HZ3  LYS 105           HZ3      LYS 105  -8.626  -3.589 -24.902
  799    H    TYR 106           H        TYR 106  -8.387   3.327 -24.128
  800    HA   TYR 106           HA       TYR 106  -7.764   5.478 -22.535
  801    HB2  TYR 106           HB2      TYR 106 -10.025   5.315 -21.683
  802    HB3  TYR 106           HB3      TYR 106  -9.973   4.981 -23.397
  803    HD1  TYR 106           HD1      TYR 106 -10.216   2.566 -24.224
  804    HD2  TYR 106           HD2      TYR 106 -10.893   3.697 -20.121
  805    HE1  TYR 106           HE1      TYR 106 -11.460   0.444 -23.845
  806    HE2  TYR 106           HE2      TYR 106 -12.142   1.600 -19.744
  807    HH   TYR 106           HH       TYR 106 -12.906  -0.388 -20.664
  808    H    SER 107           H        SER 107  -7.219   5.953 -20.417
  809    HA   SER 107           HA       SER 107  -5.974   3.871 -18.916
  810    HB2  SER 107           HB2      SER 107  -6.349   6.613 -17.766
  811    HB3  SER 107           HB3      SER 107  -4.910   5.598 -17.823
  812    HG   SER 107           HG       SER 107  -4.639   7.312 -19.261
  813    H    ILE 108           H        ILE 108  -9.136   5.303 -18.549
  814    HA   ILE 108           HA       ILE 108  -9.364   4.698 -15.680
  815    HB   ILE 108           HB       ILE 108 -11.731   5.390 -15.924
  816   HG12  ILE 108          HG12      ILE 108 -11.101   5.907 -18.868
  817   HG13  ILE 108          HG13      ILE 108 -12.134   4.617 -18.253
  818   HG21  ILE 108          HG21      ILE 108  -9.881   6.994 -15.449
  819   HG22  ILE 108          HG22      ILE 108  -9.789   7.375 -17.180
  820   HG23  ILE 108          HG23      ILE 108 -11.254   7.751 -16.250
  821   HD11  ILE 108          HD11      ILE 108 -13.534   6.414 -19.029
  822   HD12  ILE 108          HD12      ILE 108 -13.657   6.336 -17.260
  823   HD13  ILE 108          HD13      ILE 108 -12.675   7.602 -18.037
  824    H    VAL 109           H        VAL 109 -10.761   3.088 -14.740
  825    HA   VAL 109           HA       VAL 109 -11.645   1.055 -14.432
  826    HB   VAL 109           HB       VAL 109 -12.107   0.711 -17.422
  827   HG11  VAL 109          HG11      VAL 109 -13.399  -0.570 -14.978
  828   HG12  VAL 109          HG12      VAL 109 -13.921  -0.789 -16.661
  829   HG13  VAL 109          HG13      VAL 109 -12.332  -1.370 -16.152
  830   HG21  VAL 109          HG21      VAL 109 -13.222   2.812 -16.689
  831   HG22  VAL 109          HG22      VAL 109 -14.398   1.541 -17.009
  832   HG23  VAL 109          HG23      VAL 109 -13.967   1.939 -15.333
  833    H    SER 110           H        SER 110  -9.536   0.997 -17.328
  834    HA   SER 110           HA       SER 110  -8.500  -1.684 -16.873
  835    HB2  SER 110           HB2      SER 110  -7.068  -1.103 -18.780
  836    HB3  SER 110           HB3      SER 110  -8.719  -0.537 -19.091
  837    HG   SER 110           HG       SER 110  -7.590   1.282 -19.486
  838    H    ARG 111           H        ARG 111  -7.493   1.545 -15.882
  839    HA   ARG 111           HA       ARG 111  -5.745   2.428 -14.770
  840    HB2  ARG 111           HB2      ARG 111  -5.113  -0.402 -13.832
  841    HB3  ARG 111           HB3      ARG 111  -4.346   1.070 -13.251
  842    HG2  ARG 111           HG2      ARG 111  -6.493   1.942 -12.438
  843    HG3  ARG 111           HG3      ARG 111  -7.323   0.475 -13.000
  844    HD2  ARG 111           HD2      ARG 111  -5.991  -0.911 -11.469
  845    HD3  ARG 111           HD3      ARG 111  -5.027   0.488 -11.004
  846    HE   ARG 111           HE       ARG 111  -6.732   1.304  -9.642
  847   HH11  ARG 111          HH11      ARG 111  -8.073  -1.521 -11.346
  848   HH12  ARG 111          HH12      ARG 111  -9.398  -1.625 -10.226
  849   HH21  ARG 111          HH21      ARG 111  -8.322   1.135  -8.353
  850   HH22  ARG 111          HH22      ARG 111  -9.570  -0.098  -8.495
  851    H    ASN 112           H        ASN 112  -5.538   1.341 -17.593
  852    HA   ASN 112           HA       ASN 112  -3.151   0.174 -18.211
  853    HB2  ASN 112           HB2      ASN 112  -5.035   0.587 -19.760
  854    HB3  ASN 112           HB3      ASN 112  -4.588   2.288 -19.866
  855   HD21  ASN 112          HD22      ASN 112  -4.038   2.367 -22.087
  856   HD22  ASN 112          HD21      ASN 112  -2.726   1.393 -22.742
  857    H    CYS 113           H        CYS 113  -3.365   3.569 -17.248
  858    HA   CYS 113           HA       CYS 113  -0.838   4.489 -18.219
  859    HB2  CYS 113           HB2      CYS 113  -1.082   6.136 -16.292
  860    HB3  CYS 113           HB3      CYS 113  -2.446   6.073 -17.416
  861    HG   CYS 113           HG       CYS 113  -3.638   6.314 -15.213
  862    H    GLU 114           H        GLU 114  -1.524   2.362 -15.400
  863    HA   GLU 114           HA       GLU 114   1.137   2.532 -14.358
  864    HB2  GLU 114           HB2      GLU 114   0.641   0.858 -12.928
  865    HB3  GLU 114           HB3      GLU 114  -0.948   1.535 -13.234
  866    HG2  GLU 114           HG2      GLU 114  -1.432  -0.371 -14.775
  867    HG3  GLU 114           HG3      GLU 114   0.168  -1.032 -14.424
  868    H    HIS 115           H        HIS 115  -0.304   0.183 -16.696
  869    HA   HIS 115           HA       HIS 115   2.122  -1.233 -17.203
  870    HB2  HIS 115           HB2      HIS 115  -0.260  -0.840 -19.070
  871    HB3  HIS 115           HB3      HIS 115   0.927  -2.138 -19.136
  872    HD1  HIS 115           HD1      HIS 115   0.871  -3.270 -16.194
  873    HD2  HIS 115           HD2      HIS 115  -2.469  -2.023 -18.434
  874    HE1  HIS 115           HE1      HIS 115  -1.148  -4.411 -15.163
  875    H    PHE 116           H        PHE 116   0.866   1.777 -18.627
  876    HA   PHE 116           HA       PHE 116   2.847   2.007 -20.681
  877    HB2  PHE 116           HB2      PHE 116   1.046   3.475 -20.891
  878    HB3  PHE 116           HB3      PHE 116   1.069   3.932 -19.196
  879    HD1  PHE 116           HD2      PHE 116   3.400   4.055 -22.150
  880    HD2  PHE 116           HD1      PHE 116   1.863   6.067 -18.663
  881    HE1  PHE 116           HE2      PHE 116   4.921   5.963 -22.566
  882    HE2  PHE 116           HE1      PHE 116   3.375   7.989 -19.103
  883    HZ   PHE 116           HZ       PHE 116   4.920   7.934 -21.049
  884    H    VAL 117           H        VAL 117   2.827   3.317 -17.281
  885    HA   VAL 117           HA       VAL 117   5.454   4.422 -17.705
  886    HB   VAL 117           HB       VAL 117   5.574   5.001 -15.369
  887   HG11  VAL 117          HG11      VAL 117   4.432   6.483 -16.946
  888   HG12  VAL 117          HG12      VAL 117   2.882   5.678 -16.596
  889   HG13  VAL 117          HG13      VAL 117   3.726   6.571 -15.328
  890   HG21  VAL 117          HG21      VAL 117   3.866   4.584 -13.763
  891   HG22  VAL 117          HG22      VAL 117   2.824   3.786 -14.954
  892   HG23  VAL 117          HG23      VAL 117   4.319   3.007 -14.409
  893    H    THR 118           H        THR 118   4.534   1.242 -16.332
  894    HA   THR 118           HA       THR 118   7.122   0.643 -15.207
  895    HB   THR 118           HB       THR 118   6.352  -1.750 -15.480
  896    HG1  THR 118           HG1      THR 118   4.295  -2.078 -16.283
  897   HG21  THR 118          HG21      THR 118   4.511  -1.575 -13.849
  898   HG22  THR 118          HG22      THR 118   5.823  -0.463 -13.428
  899   HG23  THR 118          HG23      THR 118   4.340   0.154 -14.189
  900    H    GLN 119           H        GLN 119   5.774   0.040 -18.445
  901    HA   GLN 119           HA       GLN 119   7.991  -1.398 -19.464
  902    HB2  GLN 119           HB2      GLN 119   5.818   0.256 -20.800
  903    HB3  GLN 119           HB3      GLN 119   7.067  -0.581 -21.729
  904    HG2  GLN 119           HG2      GLN 119   6.434  -2.744 -20.742
  905    HG3  GLN 119           HG3      GLN 119   5.191  -1.965 -19.762
  906   HE21  GLN 119          HE22      GLN 119   3.353  -0.933 -20.919
  907   HE22  GLN 119          HE21      GLN 119   2.915  -1.537 -22.523
  908    H    LEU 120           H        LEU 120   7.735   2.061 -18.910
  909    HA   LEU 120           HA       LEU 120   9.898   2.868 -20.660
  910    HB2  LEU 120           HB2      LEU 120   8.987   4.122 -18.035
  911    HB3  LEU 120           HB3      LEU 120   9.960   4.896 -19.278
  912    HG   LEU 120           HG       LEU 120   7.076   3.979 -19.618
  913   HD11  LEU 120          HD11      LEU 120   7.305   5.894 -18.105
  914   HD12  LEU 120          HD12      LEU 120   8.226   6.769 -19.353
  915   HD13  LEU 120          HD13      LEU 120   6.522   6.357 -19.620
  916   HD21  LEU 120          HD21      LEU 120   8.275   3.901 -21.793
  917   HD22  LEU 120          HD22      LEU 120   7.098   5.215 -21.741
  918   HD23  LEU 120          HD23      LEU 120   8.827   5.567 -21.544
  919    H    ARG 121           H        ARG 121   9.870   1.446 -17.411
  920    HA   ARG 121           HA       ARG 121  12.828   1.606 -17.209
  921    HB2  ARG 121           HB2      ARG 121  11.515   1.922 -15.172
  922    HB3  ARG 121           HB3      ARG 121  10.764   0.328 -15.361
  923    HG2  ARG 121           HG2      ARG 121  12.956  -0.768 -15.138
  924    HG3  ARG 121           HG3      ARG 121  13.772   0.803 -15.074
  925    HD2  ARG 121           HD2      ARG 121  12.743   1.308 -12.935
  926    HD3  ARG 121           HD3      ARG 121  11.772  -0.184 -13.001
  927    HE   ARG 121           HE       ARG 121  14.156  -1.301 -13.211
  928   HH11  ARG 121          HH21      ARG 121  13.262   1.243 -10.860
  929   HH12  ARG 121          HH22      ARG 121  14.468   0.644  -9.735
  930   HH21  ARG 121          HH11      ARG 121  15.736  -1.853 -11.664
  931   HH22  ARG 121          HH12      ARG 121  15.700  -0.998 -10.128
  932    H    TYR 122           H        TYR 122  10.318  -1.001 -17.415
  933    HA   TYR 122           HA       TYR 122  12.226  -3.118 -17.518
  934    HB2  TYR 122           HB2      TYR 122   9.951  -3.407 -16.728
  935    HB3  TYR 122           HB3      TYR 122   9.290  -2.939 -18.287
  936    HD1  TYR 122           HD1      TYR 122  11.573  -5.529 -16.758
  937    HD2  TYR 122           HD2      TYR 122   8.663  -4.614 -19.813
  938    HE1  TYR 122           HE1      TYR 122  11.597  -7.903 -17.498
  939    HE2  TYR 122           HE2      TYR 122   8.686  -6.982 -20.549
  940    HH   TYR 122           HH       TYR 122   9.571  -9.087 -20.220
  941    H    GLY 123           H        GLY 123  10.702  -1.325 -20.176
  942    HA2  GLY 123           HA2      GLY 123  11.896  -3.086 -22.263
  943    HA3  GLY 123           HA3      GLY 123  10.609  -1.875 -22.465
  944    H    LYS 124           H        LYS 124  13.496  -0.988 -20.668
  945    HA   LYS 124           HA       LYS 124  14.040   1.257 -22.272
  946    HB2  LYS 124           HB2      LYS 124  15.918   1.611 -20.848
  947    HB3  LYS 124           HB3      LYS 124  14.678   0.860 -19.881
  948    HG2  LYS 124           HG2      LYS 124  16.469  -0.399 -19.176
  949    HG3  LYS 124           HG3      LYS 124  15.977  -1.397 -20.540
  950    HD2  LYS 124           HD2      LYS 124  17.671   0.233 -21.857
  951    HD3  LYS 124           HD3      LYS 124  18.338   0.490 -20.255
  952    HE2  LYS 124           HE2      LYS 124  18.818  -1.916 -20.023
  953    HE3  LYS 124           HE3      LYS 124  17.880  -2.278 -21.477
  954    HZ1  LYS 124           HZ1      LYS 124  20.221  -2.252 -22.027
  955    HZ2  LYS 124           HZ2      LYS 124  19.491  -0.987 -22.776
  956    HZ3  LYS 124           HZ3      LYS 124  20.426  -0.732 -21.451
  957    H    SER 125           H        SER 125  15.751   1.823 -23.682
  958    HA   SER 125           HA       SER 125  16.063   0.288 -25.948
  959    HB2  SER 125           HB2      SER 125  17.990   2.412 -24.946
  960    HB3  SER 125           HB3      SER 125  17.759   1.903 -26.627
  961    HG   SER 125           HG       SER 125  15.637   2.713 -26.558