*HEADER    PROHORMONE                              28-NOV-02   1O8R
*TITLE     SOLUTION STRUCTURE OF HUMAN PROGUANYLIN
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: GUANYLIN;
*COMPND   3 SYNONYM: GUANYLATE CYCLASE ACTIVATOR;
*COMPND   4 CHAIN: A;
*COMPND   5 FRAGMENT: RESIDUES 22-115;
*COMPND   6 ENGINEERED: YES;
*COMPND   7 OTHER_DETAILS: DISULPHIDE BONDS BETWEEN CYS69 AND CYS82,
*COMPND   8  CYS104 AND CYS112, CYS107 AND CYS115
*SOURCE    MOL_ID: 1;
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;
*SOURCE   3 ORGANISM_COMMON: HUMAN;
*SOURCE   4 TISSUE: INTESTINAL MUCOSA AND BLOOD;
*SOURCE   5 CELL: ENTERO-ENDOCRINE CELLS;
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: AD494;
*SOURCE   8 EXPRESSION_SYSTEM_VARIANT: DE3;
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: T7-EXPRESSION SYSTEM;
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET32A;
*SOURCE  11 OTHER_DETAILS: CLONED FROM CDNA
*KEYWDS    PROGUANYLIN, GUANYLIN,GAP-I, PRECURSOR, PROSEQUENCE,
*KEYWDS   2 PROHORMONE
*EXPDTA    NMR, 30 STRUCTURES
*AUTHOR    T.LAUBER,P.NEUDECKER,P.ROSCH,U.C.MARX




!distance restraints derived from NOESY data
assign (resid   3 and name HG2*) (resid  73 and name HD2*)  0.0 0.0 5.0 !  73 HD2* (  0.601) ( 0.00 A) (1040.690)
assign (resid   3 and name HG2*) (resid  90 and name HB*)  0.0 0.0 5.0 !  90 HB*  (  1.616) ( 0.00 A) (2878.180)
assign (resid   4 and name HA) (resid  10 and name HB2)  0.0 0.0 3.5 !  10 HB2  (  2.473) ( 0.00 A) (3752.490)
assign (resid  10 and name HA) (resid   2 and name HG*)  0.0 0.0 3.5 !   2 HG*  (  1.035) ( 0.00 A) (2357.090)
assign (resid  10 and name HB1) (resid  57 and name HD2*)  0.0 0.0 5.0 !  57 HD2* ( -0.072) ( 0.00 A) (1735.660)
assign (resid  10 and name HB2) (resid  57 and name HD2*)  0.0 0.0 5.0 !  57 HD2* ( -0.072) ( 0.00 A) (692.140)
assign (resid  11 and name HA) (resid   2 and name HA)  0.0 0.0 5.0 !   2 HA   (  4.808) ( 0.00 A) (1401.120)
assign (resid  11 and name HA) (resid   2 and name HG*)  0.0 0.0 5.0 !   2 HG*  (  1.035) ( 0.00 A) (1387.620)
assign (resid  15 and name HG1*) (resid  53 and name HB2)  0.0 0.0 5.0 !  53 HB2  (  2.926) ( 0.00 A) (1713.490)
assign (resid  15 and name HG1*) (resid  57 and name HD1*)  0.0 0.0 5.0 !  57 HD1* (  0.213) ( 0.00 A) (1486.310)
assign (resid  15 and name HG1*) (resid  57 and name HD2*)  0.0 0.0 3.5 !  57 HD2* ( -0.072) ( 0.00 A) (2577.560)
assign (resid  15 and name HG2*) (resid  57 and name HD1*)  0.0 0.0 5.0 !  57 HD1* (  0.213) ( 0.00 A) (570.330)
assign (resid  15 and name HG2*) (resid  73 and name HA)  0.0 0.0 5.0 !  73 HA   (  4.038) ( 0.00 A) (2373.220)
assign (resid  15 and name HG2*) (resid  73 and name HB1)  0.0 0.0 5.0 !  73 HB1  (  1.848) ( 0.00 A) (2891.360)
assign (resid  15 and name HG2*) (resid  73 and name HD2*)  0.0 0.0 5.0 !  73 HD2* (  0.601) ( 0.00 A) (1906.580)
assign (resid  53 and name HA) (resid  21 and name HD1*)  0.0 0.0 3.5 !  21 HD1* (  0.898) ( 0.00 A) (2594.760)
assign (resid  66 and name HA) (resid  60 and name HB2)  0.0 0.0 5.0 !  60 HB2  (  1.338) ( 0.00 A) (1757.340)
assign (resid  66 and name HA) (resid  60 and name HD1*)  0.0 0.0 5.0 !  60 HD1* (  0.692) ( 0.00 A) (1470.400)
assign (resid  66 and name HA) (resid  60 and name HD2*)  0.0 0.0 5.0 !  60 HD2* (  0.692) ( 0.00 A) (1470.400)
assign (resid  66 and name HB*) (resid  60 and name HB1)  0.0 0.0 3.5 !  60 HB1  (  1.733) ( 0.00 A) (2485.870)
assign (resid  66 and name HB*) (resid  60 and name HD1*)  0.0 0.0 5.0 !  60 HD1* (  0.692) ( 0.00 A) (3170.960)
assign (resid  66 and name HB*) (resid  60 and name HD2*)  0.0 0.0 5.0 !  60 HD2* (  0.692) ( 0.00 A) (3170.960)
assign (resid  69 and name HB) (resid  60 and name HD1*)  0.0 0.0 5.0 !  60 HD1* (  0.692) ( 0.00 A) (911.010)
assign (resid  69 and name HB) (resid  60 and name HD2*)  0.0 0.0 5.0 !  60 HD2* (  0.692) ( 0.00 A) (911.010)
assign (resid  74 and name HA) (resid  18 and name HD1*)  0.0 0.0 5.0 !  18 HD1* (  0.677) ( 0.00 A) (1187.070)
assign (resid  82 and name HB) (resid  88 and name HA)  0.0 0.0 5.0 !  88 HA   (  4.804) ( 0.00 A) (534.890)
assign (resid  82 and name HB) (resid  88 and name HB*)  0.0 0.0 5.0 !  88 HB*  (  2.973) ( 0.00 A) (647.030)
assign (resid  83 and name HB1) (resid  91 and name HA)  0.0 0.0 5.0 !  91 HA   (  5.730) ( 0.00 A) (843.000)
assign (resid  90 and name HA) (resid  83 and name HB2)  0.0 0.0 5.0 !  83 HB2  (  3.138) ( 0.00 A) (614.300)
assign (resid  91 and name HB1) (resid  83 and name HA)  0.0 0.0 5.0 !  83 HA   (  4.466) ( 0.00 A) (742.950)
assign (resid  91 and name HB2) (resid  83 and name HA)  0.0 0.0 5.0 !  83 HA   (  4.466) ( 0.00 A) (528.480)
assign (resid  37 and name HA) (resid  38 and name HD1*)  0.0 0.0 3.5 !  38 HD1* (  0.872) ( 0.00 A) (2162.040)
assign (resid  37 and name HA) (resid  38 and name HG11)  0.0 0.0 5.0 !  38 HG11 (  1.560) ( 0.00 A) (1679.060)
assign (resid  41 and name HA) (resid  42 and name HD*)  0.0 0.0 3.5 !  42 HD*  (  3.675) ( 0.00 A) (6727.550)
assign (resid  51 and name HD1) (resid  50 and name HA)  0.0 0.0 3.5 !  50 HA   (  4.808) ( 0.00 A) (4619.200)
assign (resid  51 and name HD2) (resid  50 and name HA)  0.0 0.0 3.5 !  50 HA   (  4.808) ( 0.00 A) (2967.350)
assign (resid  63 and name HA) (resid  64 and name HD1)  0.0 0.0 3.5 !  64 HD1  (  4.022) ( 0.00 A) (3162.640)
assign (resid  64 and name HD1) (resid  63 and name HA)  0.0 0.0 3.5 !  63 HA   (  4.521) ( 0.00 A) (2205.840)
assign (resid  64 and name HD2) (resid  63 and name HA)  0.0 0.0 3.5 !  63 HA   (  4.521) ( 0.00 A) (3792.850)
assign (resid  80 and name HD1) (resid  79 and name HA)  0.0 0.0 3.5 !  79 HA   (  4.985) ( 0.00 A) (2798.870)
assign (resid  80 and name HD2) (resid  79 and name HA)  0.0 0.0 5.0 !  79 HA   (  4.985) ( 0.00 A) (1473.820)
assign (resid  91 and name HA) (resid  92 and name HG*)  0.0 0.0 5.0 !  92 HG*  (  1.097) ( 0.00 A) (1237.550)
assign (resid  91 and name HB1) (resid  92 and name HG*)  0.0 0.0 5.0 !  92 HG*  (  1.097) ( 0.00 A) (1156.210)
assign (resid  91 and name HB2) (resid  92 and name HG*)  0.0 0.0 5.0 !  92 HG*  (  1.097) ( 0.00 A) (1344.780)
assign (resid   4 and name HA) (resid   9 and name HA)  0.0 0.0 5.0 !   9 HA   (  4.924) ( 0.00 A) (1641.060)
assign (resid   4 and name HG*) (resid   9 and name HB*)  0.0 0.0 5.0 !   9 HB*  (  3.537) ( 0.00 A) (544.040)
assign (resid  14 and name HA) (resid  18 and name HB1)  0.0 0.0 5.0 !  18 HB1  (  1.722) ( 0.00 A) (1529.290)
assign (resid  14 and name HB1) (resid  18 and name HB1)  0.0 0.0 5.0 !  18 HB1  (  1.722) ( 0.00 A) (949.860)
assign (resid  14 and name HB2) (resid  18 and name HB1)  0.0 0.0 5.0 !  18 HB1  (  1.722) ( 0.00 A) (956.690)
assign (resid  15 and name HA) (resid  18 and name HB1)  0.0 0.0 5.0 !  18 HB1  (  1.722) ( 0.00 A) (715.820)
assign (resid  15 and name HG1*) (resid  18 and name HB1)  0.0 0.0 5.0 !  18 HB1  (  1.722) ( 0.00 A) (1097.340)
assign (resid  15 and name HG1*) (resid  18 and name HD2*)  0.0 0.0 5.0 !  18 HD2* (  0.527)
assign (resid  54 and name HB1) (resid  57 and name HD1*)  0.0 0.0 5.0 !  57 HD1* (  0.213) ( 0.00 A) (525.460)
assign (resid  54 and name HB1) (resid  57 and name HG)  0.0 0.0 5.0 !  57 HG   (  0.780) ( 0.00 A) (781.880)
assign (resid  54 and name HB2) (resid  57 and name HD1*)  0.0 0.0 5.0 !  57 HD1* (  0.213) ( 0.00 A) (736.810)
assign (resid  54 and name HB2) (resid  57 and name HG)  0.0 0.0 5.0 !  57 HG   (  0.780) ( 0.00 A) (984.560)
assign (resid  54 and name HG*) (resid  57 and name HD1*)  0.0 0.0 5.0 !  57 HD1* (  0.213) ( 0.00 A) (1145.160)
assign (resid  65 and name HB1) (resid  69 and name HB)  0.0 0.0 5.0 !  69 HB   (  1.767) ( 0.00 A) (1349.560)
assign (resid  65 and name HB2) (resid  69 and name HB)  0.0 0.0 5.0 !  69 HB   (  1.767) ( 0.00 A) (786.230)
assign (resid  66 and name HA) (resid  69 and name HB)  0.0 0.0 3.5 !  69 HB   (  1.767) ( 0.00 A) (2013.290)
assign (resid  66 and name HA) (resid  69 and name HG*)  0.0 0.0 5.0 !  69 HG*  (  1.146) ( 0.00 A) (575.420)
assign (resid  74 and name HA) (resid  77 and name HB*)  0.0 0.0 3.5 !  77 HB*  (  1.465) ( 0.00 A) (3074.390)
assign (resid  82 and name HA) (resid  85 and name HB)  0.0 0.0 5.0 !  85 HB   (  2.289) ( 0.00 A) (1164.620)
assign (resid  82 and name HB) (resid  87 and name HB*)  0.0 0.0 5.0 !  87 HB*  (  1.478) ( 0.00 A) (1932.970)
assign (resid  86 and name HA) (resid  91 and name HB2)  0.0 0.0 5.0 !  91 HB2  (  3.227) ( 0.00 A) (774.170)
assign (resid   6 and name HN) (resid   6 and name HA1)  0.0 0.0 5.0 !   6 HA1  (  4.024) ( 0.00 A) (  7.460)
assign (resid   6 and name HN) (resid   6 and name HA2)  0.0 0.0 3.5 !   6 HA2  (  3.626) ( 0.00 A) ( 12.130)
assign (resid   7 and name HD21) (resid   7 and name HB1)  0.0 0.0 5.0 !   7 HB1  (  2.614) ( 0.00 A) (  2.830)
assign (resid   7 and name HD21) (resid   7 and name HB2)  0.0 0.0 3.5 !   7 HB2  (  2.190) ( 0.00 A) (  5.080)
assign (resid   7 and name HD22) (resid   7 and name HB1)  0.0 0.0 5.0 !   7 HB1  (  2.614) ( 0.00 A) (  1.460)
assign (resid   7 and name HD22) (resid   7 and name HB2)  0.0 0.0 5.0 !   7 HB2  (  2.190) ( 0.00 A) (  2.070)
assign (resid   7 and name HN) (resid   7 and name HB1)  0.0 0.0 5.0 !   7 HB1  (  2.614) ( 0.00 A) (  3.110)
assign (resid   7 and name HN) (resid   7 and name HB2)  0.0 0.0 3.5 !   7 HB2  (  2.190) ( 0.00 A) (  6.100)
assign (resid   7 and name HN) (resid   7 and name HD21)  0.0 0.0 5.0 !   7 HD21 (  7.420) ( 0.00 A) (  1.980)
assign (resid   8 and name HN) (resid   8 and name HB1)  0.0 0.0 3.5 !   8 HB1  (  2.821) ( 0.00 A) (  6.550)
assign (resid   8 and name HN) (resid   8 and name HB2)  0.0 0.0 5.0 !   8 HB2  (  2.063) ( 0.00 A) (  3.370)
assign (resid   8 and name HN) (resid   8 and name HD*)  0.0 0.0 5.0 !   8 HD*  (  7.394) ( 0.00 A) (  4.890)
assign (resid  10 and name HN) (resid  10 and name HD*)  0.0 0.0 5.0 !  10 HD*  (  7.064) ( 0.00 A) (  2.160)
assign (resid  35 and name HN) (resid  35 and name HB1)  0.0 0.0 5.0 !  35 HB1  (  3.143) ( 0.00 A) (  3.580)
assign (resid  35 and name HN) (resid  35 and name HB2)  0.0 0.0 3.5 !  35 HB2  (  2.994) ( 0.00 A) (  5.810)
assign (resid  35 and name HN) (resid  35 and name HD*)  0.0 0.0 5.0 !  35 HD*  (  7.242) ( 0.00 A) (  1.880)
assign (resid  50 and name HD22) (resid  50 and name HN)  0.0 0.0 5.0 !  50 HN   (  7.757) ( 0.00 A) (  1.260)
assign (resid  50 and name HN) (resid  50 and name HD21)  0.0 0.0 5.0 !  50 HD21 (  8.154) ( 0.00 A) (  1.550)
assign (resid  52 and name HD21) (resid  52 and name HB1)  0.0 0.0 5.0 !  52 HB1  (  2.967) ( 0.00 A) (  3.400)
assign (resid  52 and name HD21) (resid  52 and name HB2)  0.0 0.0 3.5 !  52 HB2  (  2.509) ( 0.00 A) (  6.190)
assign (resid  52 and name HD21) (resid  52 and name HN)  0.0 0.0 5.0 !  52 HN   (  8.993) ( 0.00 A) (  1.440)
assign (resid  52 and name HD22) (resid  52 and name HB1)  0.0 0.0 5.0 !  52 HB1  (  2.967) ( 0.00 A) (  2.420)
assign (resid  52 and name HD22) (resid  52 and name HB2)  0.0 0.0 5.0 !  52 HB2  (  2.509) ( 0.00 A) (  3.920)
assign (resid  53 and name HN) (resid  53 and name HD*)  0.0 0.0 5.0 !  53 HD*  (  6.898) ( 0.00 A) (  3.790)
assign (resid  56 and name HN) (resid  56 and name HB1)  0.0 0.0 3.5 !  56 HB1  (  2.228) ( 0.00 A) ( 12.150)
assign (resid  56 and name HN) (resid  56 and name HB2)  0.0 0.0 5.0 !  56 HB2  (  1.683) ( 0.00 A) (  7.330)
assign (resid  61 and name HN) (resid  61 and name HB1)  0.0 0.0 3.5 !  61 HB1  (  3.332) ( 0.00 A) (  7.770)
assign (resid  61 and name HN) (resid  61 and name HB2)  0.0 0.0 5.0 !  61 HB2  (  2.909) ( 0.00 A) (  4.840)
assign (resid  65 and name HD21) (resid  65 and name HB1)  0.0 0.0 3.5 !  65 HB1  (  3.185) ( 0.00 A) (  4.500)
assign (resid  65 and name HD21) (resid  65 and name HB2)  0.0 0.0 5.0 !  65 HB2  (  2.801) ( 0.00 A) (  3.520)
assign (resid  65 and name HD22) (resid  65 and name HB1)  0.0 0.0 5.0 !  65 HB1  (  3.185) ( 0.00 A) (  2.850)
assign (resid  65 and name HD22) (resid  65 and name HB2)  0.0 0.0 5.0 !  65 HB2  (  2.801) ( 0.00 A) (  1.680)
assign (resid  72 and name HE) (resid  72 and name HD1)  0.0 0.0 5.0 !  72 HD1  (  3.516) ( 0.00 A) (-0.02670)
assign (resid  72 and name HE) (resid  72 and name HD2)  0.0 0.0 3.5 !  72 HD2  (  3.120) ( 0.00 A) (-0.04180)
assign (resid  72 and name HE) (resid  72 and name HN)  0.0 0.0 5.0 !  72 HN   (  7.536) ( 0.00 A) ( 0.03590)
assign (resid  74 and name HN) (resid  74 and name HB1)  0.0 0.0 3.5 !  74 HB1  (  2.211) ( 0.00 A) ( 10.360)
assign (resid  74 and name HN) (resid  74 and name HB2)  0.0 0.0 5.0 !  74 HB2  (  2.015) ( 0.00 A) (  4.140)
assign (resid  79 and name HN) (resid  79 and name HB1)  0.0 0.0 3.5 !  79 HB1  (  2.876) ( 0.00 A) (  4.020)
assign (resid  79 and name HN) (resid  79 and name HB2)  0.0 0.0 5.0 !  79 HB2  (  2.560) ( 0.00 A) (  2.940)
assign (resid  88 and name HN) (resid  88 and name HD*)  0.0 0.0 5.0 !  88 HD*  (  7.233) ( 0.00 A) (  3.200)
assign (resid  91 and name HN) (resid  91 and name HB1)  0.0 0.0 3.5 !  91 HB1  (  4.052) ( 0.00 A) (  7.700)
assign (resid  91 and name HN) (resid  91 and name HB2)  0.0 0.0 5.0 !  91 HB2  (  3.227) ( 0.00 A) (  3.390)
assign (resid  94 and name HN) (resid  94 and name HB1)  0.0 0.0 5.0 !  94 HB1  (  3.178) ( 0.00 A) (  3.090)
assign (resid  94 and name HN) (resid  94 and name HB2)  0.0 0.0 3.5 !  94 HB2  (  3.017) ( 0.00 A) (  5.220)
assign (resid   6 and name HN) (resid   5 and name HB1)  0.0 0.0 5.0 
assign (resid   6 and name HN) (resid   8 and name HD*)  0.0 0.0 5.0 
assign (resid  13 and name HN) (resid  15 and name HN)  0.0 0.0 5.0
assign (resid  17 and name HN) (resid  15 and name HN)  0.0 0.0 5.0
assign (resid  17 and name HN) (resid  13 and name HA)  0.0 0.0 5.0
assign (resid  72 and name HN) (resid  70 and name HD1*)  0.0 0.0 5.0
assign (resid  72 and name HN) (resid  70 and name HD2*)  0.0 0.0 5.0
assign (resid  72 and name HN) (resid  70 and name HD1*)  0.0 0.0 5.0
assign (resid  61 and name HN) (resid  53 and name HE*)  0.0 0.0 5.0
assign (resid  60 and name HN) (resid  53 and name HE*)  0.0 0.0 5.0
assign (resid  61 and name HN) (resid  66 and name HB*)  0.0 0.0 5.0
assign (resid  67 and name HN) (resid  69 and name HN)  0.0 0.0 5.0
assign (resid  68 and name HN) (resid  65 and name HB1)  0.0 0.0 5.0
assign (resid  68 and name HN) (resid  70 and name HN)  0.0 0.0 5.0
assign (resid  69 and name HN) (resid  67 and name HN)  0.0 0.0 5.0
assign (resid  69 and name HN) (resid  71 and name HN)  0.0 0.0 5.0
assign (resid  71 and name HN) (resid  73 and name HN)  0.0 0.0 5.0
assign (resid  73 and name HN) (resid  69 and name HA)  0.0 0.0 5.0
assign (resid  74 and name HN) (resid  77 and name HB*)  0.0 0.0 5.0
assign (resid  74 and name HN) (resid  76 and name HN)  0.0 0.0 5.0
assign (resid  75 and name HN) (resid  77 and name HN)  0.0 0.0 5.0
assign (resid  76 and name HN) (resid  74 and name HA)  0.0 0.0 5.0
assign (resid  78 and name HN) (resid  76 and name HB)  0.0 0.0 5.0
assign (resid  78 and name HN) (resid  76 and name HG2*)  0.0 0.0 5.0
assign (resid  79 and name HN) (resid  78 and name HG*)  0.0 0.0 5.0
assign (resid  79 and name HN) (resid  77 and name HB*)  0.0 0.0 5.0
assign (resid  86 and name HN) (resid  85 and name HB)  0.0 0.0 5.0
assign (resid  86 and name HN) (resid  85 and name HG12)  0.0 0.0 5.0
assign (resid  86 and name HN) (resid  84 and name HA)  0.0 0.0 5.0
assign (resid  85 and name HN) (resid  84 and name HA)  0.0 0.0 5.0
assign (resid  85 and name HN) (resid  83 and name HB1)  0.0 0.0 5.0
assign (resid  84 and name HN) (resid  82 and name HA)  0.0 0.0 5.0
assign (resid  83 and name HN) (resid  82 and name HG*)  0.0 0.0 5.0
assign (resid  82 and name HN) (resid  84 and name HN)  0.0 0.0 5.0
assign (resid  81 and name HN) (resid  79 and name HB1)  0.0 0.0 5.0
assign (resid  88 and name HN) (resid  91 and name HB2)  0.0 0.0 5.0
assign (resid  88 and name HN) (resid  91 and name HN)  0.0 0.0 5.0
assign (resid  90 and name HN) (resid  88 and name HB*)  0.0 0.0 5.0
assign (resid  91 and name HN) (resid  88 and name HB*)  0.0 0.0 5.0
assign (resid  92 and name HN) (resid  91 and name HB2)  0.0 0.0 5.0
assign (resid   4 and name HN) (resid  92 and name HN)  0.0 0.0 5.0
assign (resid   6 and name HN) (resid   4 and name HA)  0.0 0.0 5.0
assign (resid  16 and name HN) (resid  14 and name HN)  0.0 0.0 5.0 !  14 HN   (  7.784)
assign (resid  12 and name HN) (resid  11 and name HN)  0.0 0.0 5.0
assign (resid  13 and name HN) (resid  15 and name HN)  0.0 0.0 5.0
assign (resid  89 and name HN) (resid  91 and name HN)  0.0 0.0 5.0
assign (resid  81 and name HN) (resid  84 and name HB1)  0.0 0.0 5.0
assign (resid  82 and name HN) (resid  84 and name HG11)  0.0 0.0 5.0
assign (resid  83 and name HN) (resid  81 and name HA2)  0.0 0.0 5.0
assign (resid  86 and name HN) (resid  88 and name HN)  0.0 0.0 5.0
assign (resid  92 and name HN) (resid  91 and name HB1)  0.0 0.0 5.0
assign (resid  92 and name HN) (resid   1 and name HA)  0.0 0.0 5.0
assign (resid  94 and name HN) (resid   1 and name HA)  0.0 0.0 5.0
assign (resid 18 and name HD1*) (resid 57 and name HD2*)  1.8 0.0 3.5
assign (resid 18 and name HD2*) (resid 57 and name HD2*)  1.8 0.0 5.0
assign (resid 18 and name HD2*) (resid 57 and name HD1*)  1.8 0.0 3.5
assign (resid 18 and name HD1*) (resid 57 and name HD1*)  1.8 0.0 3.5
assign (resid 15 and name HA) (resid 57 and name HD2*)  1.8 0.0 5.0
assign (resid 15 and name HA) (resid 57 and name HD1*)  1.8 0.0 3.5
assign (resid 15 and name HN) (resid 57 and name HD2*)  1.8 0.0 5.0
assign (resid 15 and name HN) (resid 57 and name HD1*)  1.8 0.0 5.0
assign (resid 10 and name HD*) (resid 57 and name HD2*)  1.8 0.0 2.7
assign (resid 10 and name HD*) (resid 57 and name HD1*)  1.8 0.0 5.0
assign (resid 53 and name HD*) (resid 57 and name HD1*)  1.8 0.0 5.0
assign (resid 53 and name HE*) (resid 57 and name HD2*)  1.8 0.0 5.0
assign (resid 53 and name HE*) (resid 57 and name HD1*)  1.8 0.0 5.0
assign (resid 53 and name HZ) (resid 57 and name HD2*)  1.8 0.0 5.0
assign (resid 53 and name HZ) (resid 57 and name HD1*)  1.8 0.0 5.0
assign (resid 10 and name HZ) (resid 57 and name HD2*)  1.8 0.0 5.0
assign (resid 53 and name HZ) (resid 18 and name HD2*)  1.8 0.0 5.0
assign (resid 53 and name HE*) (resid 18 and name HD2*)  1.8 0.0 3.5
assign (resid 53 and name HD*) (resid 18 and name HD2*)  1.8 0.0 3.5
assign (resid 10 and name HD*) (resid 73 and name HD2*)  2.0 0.0 2.7
assign (resid 10 and name HD*) (resid 73 and name HD1*)  2.0 0.0 3.5
assign (resid 10 and name HZ) (resid 73 and name HD2*)  2.0 0.0 5.0
assign (resid 10 and name HA) (resid 57 and name HD2*)  2.0 0.0 5.0
assign (resid 15 and name HA) (resid 18 and name HD2*)  2.0 0.0 5.0
assign (resid 15 and name HA) (resid 18 and name HD1*)  2.0 0.0 3.5
assign (resid 73 and name HD2*) (resid 57 and name HD2*)  2.0 0.0 3.5
assign (resid 73 and name HD2*) (resid 57 and name HD1*)  2.0 0.0 3.5
assign (resid 73 and name HB2) (resid 57 and name HD2*)  2.0 0.0 5.0
assign (resid 73 and name HB2) (resid 57 and name HD1*)  2.0 0.0 5.0
assign (resid 73 and name HB1) (resid 57 and name HD2*)  2.0 0.0 5.0
assign (resid 91 and name HA) (resid 3 and name HA)  2.0 0.0 3.5
assign (resid 53 and name HB1) (resid 18 and name HD2*)  2.0 0.0 5.0
assign (resid 12 and name HB*) (resid 73 and name HD2*)  2.0 0.0 5.0
assign (resid 10 and name HZ) (resid 60 and name HB2)  2.0 0.0 3.5
assign (resid 11 and name HN) (resid 2 and name HA)  2.0 0.0 5.0
assign (resid 13 and name HN) (resid 11 and name HA)  2.0 0.0 5.0
assign (resid 18 and name HN) (resid 57 and name HD1*)  2.0 0.0 5.0
assign (resid 66 and name HN) (resid 60 and name HD2*)  2.0 0.0 5.0
assign (resid 73 and name HB2) (resid 18 and name HD2*)  2.0 0.0 5.0
assign (resid 73 and name HB2) (resid 18 and name HD1*)  2.0 0.0 3.5
assign (resid 10 and name HE*) (resid 73 and name HD2*)  2.0 0.0 3.5
assign (resid 10 and name HE*) (resid 73 and name HD1*)  2.0 0.0 3.5
assign (resid 10 and name HE*) (resid 57 and name HD2*)  2.0 0.0 2.7
assign (resid 10 and name HE*) (resid 57 and name HD1*)  2.0 0.0 5.0
assign (resid 53 and name HB1) (resid 57 and name HD1*)  2.0 0.0 5.0
assign (resid 53 and name HZ) (resid 60 and name HD1*)  2.0 0.0 5.0
assign (resid 53 and name HE*) (resid 60 and name HD1*)  2.0 0.0 5.0
assign (resid 53 and name HE*) (resid 60 and name HD2*)  2.0 0.0 5.0
assign (resid 53 and name HZ) (resid 60 and name HD2*)  2.0 0.0 5.0
assign (resid 10 and name HD*) (resid 60 and name HD1*)  2.0 0.0 5.0
assign (resid 10 and name HE*) (resid 60 and name HD1*)  2.0 0.0 5.0
assign (resid 10 and name HE*) (resid 60 and name HD2*)  2.0 0.0 5.0
assign (resid 8 and name HD*) (resid 60 and name HD1*)  2.0 0.0 5.0
assign (resid 10 and name HZ) (resid 60 and name HD1*)  2.0 0.0 5.0
assign (resid 60 and name HD1*) (resid 73 and name HD2*)  2.0 0.0 3.5
assign (resid 60 and name HD1*) (resid 57 and name HD1*)  2.0 0.0 5.0
assign (resid 60 and name HD1*) (resid 57 and name HD2*)  2.0 0.0 3.5
assign (resid 60 and name HD2*) (resid 57 and name HD2*)  2.0 0.0 5.0
assign (resid 60 and name HD2*) (resid 57 and name HD1*)  2.0 0.0 5.0
assign (resid 10 and name HE*) (resid 60 and name HB2)  2.0 0.0 5.0
assign (resid 10 and name HE*) (resid 9 and name HB2)  2.0 0.0 5.0
assign (resid 10 and name HD*) (resid 9 and name HB2)  2.0 0.0 5.0
assign (resid 88 and name HN) (resid 83 and name HA)  2.0 0.0 5.0
assign (resid 92 and name HN) (resid 1 and name HG2*)  2.0 0.0 5.0
assign (resid 18 and name HN) (resid 15 and name HA)  2.0 0.0 5.0
assign (resid 77 and name HN) (resid 74 and name HA)  2.0 0.0 5.0
assign (resid 79 and name HN) (resid 76 and name HA)  2.0 0.0 5.0
assign (resid 3 and name HN) (resid 12 and name HN)  0.0 0.0 5.0
assign (resid 2 and name HN) (resid 91 and name HA)  0.0 0.0 5.0
assign (resid   2 and name HN) (resid  92 and name HN)  0.0 0.0 5.0 !  92 HN   (  9.019) ( 0.00 A) (  1.680)
assign (resid   3 and name HN) (resid  10 and name HN)  0.0 0.0 5.0 !  10 HN   (  9.197) ( 0.00 A) (  2.200)
assign (resid   3 and name HN) (resid  11 and name HA)  0.0 0.0 5.0 !  11 HA   (  4.502) ( 0.00 A) (  1.380)
assign (resid   3 and name HN) (resid  12 and name HD1*)  0.0 0.0 5.0 !  12 HD1* (  0.998) ( 0.00 A) (  6.310)
assign (resid   3 and name HN) (resid  12 and name HD2*)  0.0 0.0 5.0 !  12 HD2* (  0.998) ( 0.00 A) (  6.310)
assign (resid   4 and name HE21) (resid  92 and name HG*)  0.0 0.0 5.0 !  92 HG*  (  1.097) ( 0.00 A) (  1.580)
assign (resid   4 and name HE22) (resid  92 and name HG*)  0.0 0.0 5.0 !  92 HG*  (  1.097) ( 0.00 A) (  1.590)
assign (resid   4 and name HN) (resid  90 and name HA)  0.0 0.0 5.0 !  90 HA   (  4.250) ( 0.00 A) (  1.630)
assign (resid   4 and name HN) (resid  90 and name HB*)  0.0 0.0 5.0 !  90 HB*  (  1.616) ( 0.00 A) (  3.820)
assign (resid   4 and name HN) (resid  91 and name HA)  0.0 0.0 5.0 !  91 HA   (  5.730) ( 0.00 A) (  1.340)
assign (resid  10 and name HN) (resid   2 and name HB)  0.0 0.0 5.0 !   2 HB   (  3.833) ( 0.00 A) (  1.330)
assign (resid  10 and name HN) (resid   2 and name HG*)  0.0 0.0 5.0 !   2 HG*  (  1.035) ( 0.00 A) (  2.940)
assign (resid  10 and name HN) (resid   3 and name HB)  0.0 0.0 5.0 !   3 HB   (  2.112) ( 0.00 A) (  1.530)
assign (resid  10 and name HN) (resid   4 and name HA)  0.0 0.0 5.0 !   4 HA   (  5.141) ( 0.00 A) (  1.540)
assign (resid  12 and name HN) (resid   2 and name HA)  0.0 0.0 5.0 !   2 HA   (  4.808) ( 0.00 A) (  3.690)
assign (resid  13 and name HN) (resid  33 and name HB*)  0.0 0.0 5.0 !  33 HB*  (  1.711) ( 0.00 A) (  1.250)
assign (resid  14 and name HN) (resid  26 and name HG*)  0.0 0.0 5.0 !  26 HG*  (  2.297) ( 0.00 A) (  1.580)
assign (resid  41 and name HN) (resid  70 and name HD1*)  0.0 0.0 5.0 !  70 HD1* (  0.960) ( 0.00 A) (  1.250)
assign (resid  41 and name HN) (resid  70 and name HD2*)  0.0 0.0 5.0 !  70 HD2* (  0.960) ( 0.00 A) (  1.250)
assign (resid  50 and name HD22) (resid  21 and name HA)  0.0 0.0 5.0 !  21 HA   (  4.327) ( 0.00 A) (  1.300)
assign (resid  50 and name HD22) (resid  21 and name HD2*)  0.0 0.0 5.0 !  21 HD2* (  0.779) ( 0.00 A) (  2.020)
assign (resid  50 and name HD22) (resid  43 and name HG1*)  0.0 0.0 5.0 !  43 HG1* (  0.981) ( 0.00 A) (  1.520)
assign (resid  50 and name HD22) (resid  43 and name HG2*)  0.0 0.0 5.0 !  43 HG2* (  0.981) ( 0.00 A) (  1.520)
assign (resid  50 and name HN) (resid  43 and name HG1*)  0.0 0.0 5.0 !  43 HG1* (  0.981) ( 0.00 A) (  1.870)
assign (resid  50 and name HN) (resid  43 and name HG2*)  0.0 0.0 5.0 !  43 HG2* (  0.981) ( 0.00 A) (  1.870)
assign (resid  52 and name HD21) (resid  21 and name HD2*)  0.0 0.0 5.0 !  21 HD2* (  0.779) ( 0.00 A) (  1.270)
assign (resid  52 and name HN) (resid  21 and name HD2*)  0.0 0.0 5.0 !  21 HD2* (  0.779) ( 0.00 A) (  2.120)
assign (resid  53 and name HN) (resid  21 and name HD1*)  0.0 0.0 5.0 !  21 HD1* (  0.898) ( 0.00 A) (  1.850)
assign (resid  53 and name HN) (resid  21 and name HD2*)  0.0 0.0 5.0 !  21 HD2* (  0.779) ( 0.00 A) (  1.460)
assign (resid  60 and name HN) (resid  10 and name HE*)  0.0 0.0 5.0 !  10 HE*  (  7.140) ( 0.00 A) (  1.740)
assign (resid  60 and name HN) (resid  10 and name HZ)  0.0 0.0 5.0 !  10 HZ   (  6.529) ( 0.00 A) (  1.270)
assign (resid  60 and name HN) (resid  69 and name HD1*)  0.0 0.0 5.0 !  69 HD1* (  0.959) ( 0.00 A) (  1.580)
assign (resid  61 and name HN) (resid  44 and name HG1*)  0.0 0.0 5.0 !  44 HG1* (  0.941) ( 0.00 A) (  1.330)
assign (resid  61 and name HN) (resid  44 and name HG2*)  0.0 0.0 5.0 !  44 HG2* (  0.941) ( 0.00 A) (  1.330)
assign (resid  63 and name HN) (resid  44 and name HG1*)  0.0 0.0 5.0 !  44 HG1* (  0.941) ( 0.00 A) ( 0.01150)
assign (resid  63 and name HN) (resid  44 and name HG2*)  0.0 0.0 5.0 !  44 HG2* (  0.941) ( 0.00 A) ( 0.01150)
assign (resid  66 and name HN) (resid  44 and name HG1*)  0.0 0.0 5.0 !  44 HG1* (  0.941) ( 0.00 A) (  1.910)
assign (resid  66 and name HN) (resid  44 and name HG2*)  0.0 0.0 5.0 !  44 HG2* (  0.941) ( 0.00 A) (  1.910)
assign (resid  67 and name HN) (resid  44 and name HG1*)  0.0 0.0 5.0 !  44 HG1* (  0.941) ( 0.00 A) (  1.360)
assign (resid  67 and name HN) (resid  44 and name HG2*)  0.0 0.0 5.0 !  44 HG2* (  0.941) ( 0.00 A) (  1.360)
assign (resid  70 and name HN) (resid  60 and name HD2*)  0.0 0.0 5.0 !  60 HD2* (  0.692) ( 0.00 A) (  2.610)
assign (resid  72 and name HN) (resid  39 and name HB2)  0.0 0.0 5.0 !  39 HB2  (  1.953) ( 0.00 A) (  4.280)
assign (resid  74 and name HN) (resid  15 and name HG1*)  0.0 0.0 5.0 !  15 HG1* (  0.972) ( 0.00 A) (  1.910)
assign (resid  74 and name HN) (resid  18 and name HD1*)  0.0 0.0 5.0 !  18 HD1* (  0.677) ( 0.00 A) (  1.680)
assign (resid  79 and name HN) (resid  34 and name HA)  0.0 0.0 5.0 !  34 HA   (  4.664) ( 0.00 A) (  1.460)
assign (resid  83 and name HN) (resid  76 and name HD1*)  0.0 0.0 5.0 !  76 HD1* (  0.911) ( 0.00 A) (  1.470)
assign (resid  83 and name HN) (resid  76 and name HG2*)  0.0 0.0 5.0 !  76 HG2* (  0.782) ( 0.00 A) (  1.230)
assign (resid  86 and name HN) (resid   1 and name HG2*)  0.0 0.0 5.0 !   1 HG2* (  1.121) ( 0.00 A) (  1.280)
assign (resid  88 and name HN) (resid  82 and name HA)  0.0 0.0 5.0 !  82 HA   (  4.058) ( 0.00 A) (  3.060)
assign (resid  88 and name HN) (resid  82 and name HB)  0.0 0.0 5.0 !  82 HB   (  4.194) ( 0.00 A) (  1.620)
assign (resid  92 and name HN) (resid   3 and name HA)  0.0 0.0 5.0 !   3 HA   (  4.724) ( 0.00 A) (  1.910)
assign (resid  94 and name HN) (resid   1 and name HG2*)  0.0 0.0 5.0 !   1 HG2* (  1.121) ( 0.00 A) (  2.240)
assign (resid   5 and name HN) (resid   8 and name HN)  0.0 0.0 5.0 !   8 HN   (  8.272) ( 0.00 A) (  1.340)
assign (resid   5 and name HN) (resid   9 and name HA)  0.0 0.0 5.0 !   9 HA   (  4.924) ( 0.00 A) (  1.960)
assign (resid   8 and name HN) (resid   5 and name HN)  0.0 0.0 5.0 !   5 HN   (  8.541) ( 0.00 A) (  2.200)
assign (resid   8 and name HN) (resid   6 and name HA1)  0.0 0.0 5.0 !   6 HA1  (  4.024) ( 0.00 A) (  2.250)
assign (resid   8 and name HN) (resid   6 and name HA2)  0.0 0.0 5.0 !   6 HA2  (  3.626) ( 0.00 A) (  1.540)
assign (resid  13 and name HN) (resid  11 and name HB*)  0.0 0.0 5.0 !  11 HB*  (  4.377) ( 0.00 A) (  3.520)
assign (resid  13 and name HN) (resid  15 and name HG1*)  0.0 0.0 5.0 !  15 HG1* (  0.972) ( 0.00 A) (  1.850)
assign (resid  14 and name HN) (resid  11 and name HB*)  0.0 0.0 5.0 !  11 HB*  (  4.377) ( 0.00 A) (  3.010)
assign (resid  15 and name HN) (resid  12 and name HA)  0.0 0.0 5.0 !  12 HA   (  4.085) ( 0.00 A) (  4.140)
assign (resid  15 and name HN) (resid  13 and name HB*)  0.0 0.0 5.0 !  13 HB*  (  2.060) ( 0.00 A) (  1.230)
assign (resid  15 and name HN) (resid  18 and name HB1)  0.0 0.0 5.0 !  18 HB1  (  1.722) ( 0.00 A) (  1.600)
assign (resid  16 and name HN) (resid  12 and name HA)  0.0 0.0 5.0 !  12 HA   (  4.085) ( 0.00 A) (  2.350)
assign (resid  16 and name HN) (resid  13 and name HA)  0.0 0.0 5.0 !  13 HA   (  3.878) ( 0.00 A) (  2.270)
assign (resid  16 and name HN) (resid  18 and name HN)  0.0 0.0 5.0 !  18 HN   (  7.793) ( 0.00 A) (  1.340)
assign (resid  17 and name HN) (resid  15 and name HG2*)  0.0 0.0 5.0 !  15 HG2* () ( 0.00 A) (  1.310)
assign (resid  18 and name HN) (resid  15 and name HG1*)  0.0 0.0 5.0 !  15 HG1* (  0.972) ( 0.00 A) (  1.290)
assign (resid  19 and name HN) (resid  16 and name HA)  0.0 0.0 5.0 !  16 HA (schulter) ( 0.00 A) (  2.740)
assign (resid  41 and name HN) (resid  39 and name HA)  0.0 0.0 5.0 !  39 HA   (  4.357) ( 0.00 A) (  1.490)
assign (resid  46 and name HN) (resid  48 and name HN)  0.0 0.0 5.0 !  48 HN   (  7.106) ( 0.00 A) (  1.950)
assign (resid  48 and name HN) (resid  44 and name HG1*)  0.0 0.0 5.0 !  44 HG1* (  0.941) ( 0.00 A) (  1.500)
assign (resid  49 and name HN) (resid  44 and name HG1*)  0.0 0.0 5.0 !  44 HG1* (  0.941) ( 0.00 A) (  2.070)
assign (resid  50 and name HN) (resid  48 and name HA)  0.0 0.0 5.0 !  48 HA   (  3.419) ( 0.00 A) (  2.880)
assign (resid  50 and name HN) (resid  53 and name HB1)  0.0 0.0 5.0 !  53 HB1  (  3.431) ( 0.00 A) (  2.880)
assign (resid  50 and name HN) (resid  53 and name HD*)  0.0 0.0 5.0 !  53 HD*  (  6.898) ( 0.00 A) (  1.450)
assign (resid  50 and name HN) (resid  53 and name HN)  0.0 0.0 5.0 !  53 HN   (  8.044) ( 0.00 A) (  1.260)
assign (resid  53 and name HN) (resid  51 and name HA)  0.0 0.0 5.0 !  51 HA   (  4.428) ( 0.00 A) (  1.910)
assign (resid  53 and name HN) (resid  55 and name HB2)  0.0 0.0 5.0 !  55 HB2  (  2.035) ( 0.00 A) (  1.810)
assign (resid  56 and name HN) (resid  54 and name HA)  0.0 0.0 5.0 !  54 HA   (  4.169) ( 0.00 A) (  1.480)
assign (resid  56 and name HN) (resid  54 and name HB2)  0.0 0.0 5.0 !  54 HB2  (  1.441) ( 0.00 A) (  1.230)
assign (resid  57 and name HN) (resid  53 and name HE*)  0.0 0.0 5.0 !  53 HE*  (  6.853) ( 0.00 A) (  1.930)
assign (resid  57 and name HN) (resid  54 and name HA)  0.0 0.0 5.0 !  54 HA   (  4.169) ( 0.00 A) (  1.280)
assign (resid  57 and name HN) (resid  54 and name HB2)  0.0 0.0 5.0 !  54 HB2  (  1.441) ( 0.00 A) (  2.920)
assign (resid  58 and name HN) (resid  53 and name HE*)  0.0 0.0 5.0 !  53 HE*  (  6.853) ( 0.00 A) (  2.690)
assign (resid  58 and name HN) (resid  56 and name HA)  0.0 0.0 5.0 !  56 HA   (  4.047) ( 0.00 A) (  1.350)
assign (resid  58 and name HN) (resid  56 and name HN)  0.0 0.0 5.0 !  56 HN   (  9.075) ( 0.00 A) (  1.230)
assign (resid  60 and name HN) (resid  58 and name HA)  0.0 0.0 5.0 !  58 HA   (  4.205) ( 0.00 A) (  1.660)
assign (resid  61 and name HN) (resid  58 and name HA)  0.0 0.0 5.0 !  58 HA   (  4.205) ( 0.00 A) (  2.130)
assign (resid  61 and name HN) (resid  59 and name HA)  0.0 0.0 5.0 !  59 HA   (  4.372) ( 0.00 A) (  1.220)
assign (resid  63 and name HN) (resid  60 and name HA)  0.0 0.0 5.0 !  60 HA   (  3.935) ( 0.00 A) (  3.600)
assign (resid  63 and name HN) (resid  61 and name HN)  0.0 0.0 5.0 !  61 HN   (  7.959) ( 0.00 A) (  1.460)
assign (resid  63 and name HN) (resid  66 and name HB*)  0.0 0.0 3.5 !  66 HB*  (  1.614) ( 0.00 A) (  4.450)
assign (resid  65 and name HD21) (resid  69 and name HD1*)  0.0 0.0 5.0 !  69 HD1* (  0.959) ( 0.00 A) (  1.360)
assign (resid  65 and name HD22) (resid  69 and name HB)  0.0 0.0 5.0 !  69 HB   (  1.767) ( 0.00 A) (  1.410)
assign (resid  65 and name HD22) (resid  69 and name HD1*)  0.0 0.0 5.0 !  69 HD1* (  0.959) ( 0.00 A) (  3.080)
assign (resid  65 and name HN) (resid  63 and name HB*)  0.0 0.0 5.0 !  63 HB*  (  2.116) ( 0.00 A) (  7.210)
assign (resid  65 and name HN) (resid  63 and name HG1)  0.0 0.0 5.0 !  63 HG1  (  2.550) ( 0.00 A) (  4.510)
assign (resid  65 and name HN) (resid  63 and name HG2)  0.0 0.0 3.5 !  63 HG2  (  2.435) ( 0.00 A) (  4.510)
assign (resid  65 and name HN) (resid  69 and name HD1*)  0.0 0.0 5.0 !  69 HD1* (  0.959) ( 0.00 A) (  1.330)
assign (resid  66 and name HN) (resid  63 and name HB*)  0.0 0.0 5.0 !  63 HB*  (  2.116) ( 0.00 A) (  3.120)
assign (resid  66 and name HN) (resid  63 and name HG2)  0.0 0.0 5.0 !  63 HG2  (  2.435) ( 0.00 A) (  2.330)
assign (resid  66 and name HN) (resid  63 and name HN)  0.0 0.0 5.0 !  63 HN   (  7.687) ( 0.00 A) (  1.510)
assign (resid  66 and name HN) (resid  64 and name HA)  0.0 0.0 5.0 !  64 HA   (  4.443) ( 0.00 A) (  1.450)
assign (resid  66 and name HN) (resid  68 and name HN)  0.0 0.0 5.0 !  68 HN   (  7.709) ( 0.00 A) (  1.510)
assign (resid  66 and name HN) (resid  69 and name HB)  0.0 0.0 5.0 !  69 HB   (  1.767) ( 0.00 A) (  1.940)
assign (resid  67 and name HN) (resid  65 and name HA)  0.0 0.0 5.0 !  65 HA   (  5.183) ( 0.00 A) (  1.280)
assign (resid  67 and name HN) (resid  69 and name HB)  0.0 0.0 5.0 !  69 HB   (  1.767) ( 0.00 A) (  2.350)
assign (resid  68 and name HN) (resid  65 and name HA)  0.0 0.0 5.0 !  65 HA   (  5.183) ( 0.00 A) (  1.310)
assign (resid  68 and name HN) (resid  66 and name HA)  0.0 0.0 5.0 !  66 HA   (  3.875) ( 0.00 A) (  2.230)
assign (resid  69 and name HN) (resid  66 and name HA)  0.0 0.0 5.0 !  66 HA   (  3.875) ( 0.00 A) (  2.210)
assign (resid  70 and name HN) (resid  67 and name HA)  0.0 0.0 5.0 !  67 HA   (  3.907) ( 0.00 A) (  6.900)
assign (resid  70 and name HN) (resid  68 and name HB*)  0.0 0.0 5.0 !  68 HB*  (  2.220) ( 0.00 A) (  1.950)
assign (resid  71 and name HN) (resid  68 and name HA)  0.0 0.0 5.0 !  68 HA   (  4.078) ( 0.00 A) (  8.490)
assign (resid  72 and name HE) (resid  69 and name HA)  0.0 0.0 5.0 !  69 HA   (  3.678) ( 0.00 A) (-0.01310)
assign (resid  72 and name HN) (resid  69 and name HA)  0.0 0.0 5.0 !  69 HA   (  3.678) ( 0.00 A) (  1.270)
assign (resid  72 and name HN) (resid  74 and name HG*)  0.0 0.0 5.0 !  74 HG*  (  2.543) ( 0.00 A) (  1.230)
assign (resid  73 and name HN) (resid  70 and name HA)  0.0 0.0 5.0 !  70 HA   (  3.868) ( 0.00 A) (  2.490)
assign (resid  74 and name HN) (resid  70 and name HD1*)  0.0 0.0 5.0 !  70 HD1* (  0.960) ( 0.00 A) (  1.910)
assign (resid  74 and name HN) (resid  70 and name HD2*)  0.0 0.0 5.0 !  70 HD2* (  0.960) ( 0.00 A) (  1.910)
assign (resid  74 and name HN) (resid  71 and name HA)  0.0 0.0 5.0 !  71 HA   (  4.048) ( 0.00 A) (  3.570)
assign (resid  75 and name HN) (resid  72 and name HA)  0.0 0.0 5.0 !  72 HA   (  4.128) ( 0.00 A) (  6.830)
assign (resid  77 and name HN) (resid  73 and name HA)  0.0 0.0 5.0 !  73 HA   (  4.038) ( 0.00 A) (  1.770)
assign (resid  77 and name HN) (resid  75 and name HA)  0.0 0.0 5.0 !  75 HA   (  3.987) ( 0.00 A) (  1.770)
assign (resid  81 and name HN) (resid  79 and name HA)  0.0 0.0 5.0 !  79 HA   (  4.985) ( 0.00 A) (  1.330)
assign (resid  83 and name HN) (resid  80 and name HA)  0.0 0.0 5.0 !  80 HA   (  4.652) ( 0.00 A) (  1.630)
assign (resid  85 and name HN) (resid  82 and name HA)  0.0 0.0 5.0 !  82 HA   (  4.058) ( 0.00 A) (  2.240)
assign (resid  86 and name HN) (resid  83 and name HA)  0.0 0.0 5.0 !  83 HA   (  4.466) ( 0.00 A) (  1.670)
assign (resid  86 and name HN) (resid  91 and name HB2)  0.0 0.0 5.0 !  91 HB2  (  3.227) ( 0.00 A) (  1.570)
assign (resid  87 and name HN) (resid  85 and name HN)  0.0 0.0 5.0 !  85 HN   (  6.675) ( 0.00 A) (  1.340)
assign (resid  90 and name HN) (resid  88 and name HD*)  0.0 0.0 5.0 !  88 HD*  (  7.233) ( 0.00 A) (  2.080)
assign (resid  94 and name HN) (resid  92 and name HA)  0.0 0.0 5.0 !  92 HA   (  4.885) ( 0.00 A) (  3.670)
assign (resid   2 and name HN) (resid   1 and name HA)  0.0 0.0 2.7 !   1 HA   (  4.504) ( 0.00 A) ( 11.560)
assign (resid   2 and name HN) (resid   1 and name HG2*)  0.0 0.0 5.0 !   1 HG2* (  1.121) ( 0.00 A) (  6.590)
assign (resid   3 and name HN) (resid   2 and name HA)  0.0 0.0 3.5 !   2 HA   (  4.808) ( 0.00 A) (  8.930)
assign (resid   3 and name HN) (resid   2 and name HB)  0.0 0.0 5.0 !   2 HB   (  3.833) ( 0.00 A) (  2.190)
assign (resid   3 and name HN) (resid   2 and name HG*)  0.0 0.0 5.0 !   2 HG*  (  1.035) ( 0.00 A) (  6.310)
assign (resid   4 and name HN) (resid   3 and name HA)  0.0 0.0 2.7 !   3 HA   (  4.724) ( 0.00 A) ( 13.240)
assign (resid   4 and name HN) (resid   3 and name HG1*)  0.0 0.0 5.0 !   3 HG1* (  1.052) ( 0.00 A) (  2.390)
assign (resid   4 and name HN) (resid   3 and name HG2*)  0.0 0.0 3.5 !   3 HG2* (  0.896) ( 0.00 A) (  4.510)
assign (resid   5 and name HN) (resid   4 and name HA)  0.0 0.0 2.7 !   4 HA   (  5.141) ( 0.00 A) ( 12.740)
assign (resid   5 and name HN) (resid   4 and name HB*)  0.0 0.0 5.0 !   4 HB*  (  2.064) ( 0.00 A) (  3.350)
assign (resid   6 and name HN) (resid   5 and name HA)  0.0 0.0 3.5 !   5 HA   (  4.570) ( 0.00 A) ( 17.440)
assign (resid   6 and name HN) (resid   5 and name HB2)  0.0 0.0 5.0 !   5 HB2  (  2.265) ( 0.00 A) (  1.940)
assign (resid   7 and name HN) (resid   6 and name HA1)  0.0 0.0 2.7 !   6 HA1  (  4.024) ( 0.00 A) ( 11.370)
assign (resid   7 and name HN) (resid   6 and name HA2)  0.0 0.0 3.5 !   6 HA2  (  3.626) ( 0.00 A) (  7.210)
assign (resid   7 and name HN) (resid   8 and name HN)  0.0 0.0 3.5 !   8 HN   (  8.272) ( 0.00 A) (  5.110)
assign (resid   8 and name HN) (resid   7 and name HA)  0.0 0.0 5.0 !   7 HA   (  4.572) ( 0.00 A) (  3.970)
assign (resid   8 and name HN) (resid   7 and name HB2)  0.0 0.0 5.0 !   7 HB2  (  2.190) ( 0.00 A) (  1.870)
assign (resid   9 and name HN) (resid   8 and name HA)  0.0 0.0 2.7 !   8 HA   (  4.451) ( 0.00 A) ( 13.880)
assign (resid   9 and name HN) (resid   8 and name HB1)  0.0 0.0 5.0 !   8 HB1  (  2.821) ( 0.00 A) (  2.890)
assign (resid   9 and name HN) (resid   8 and name HB2)  0.0 0.0 5.0 !   8 HB2  (  2.063) ( 0.00 A) (  3.730)
assign (resid  10 and name HN) (resid   9 and name HA)  0.0 0.0 2.7 !   9 HA   (  4.924) ( 0.00 A) ( 10.530)
assign (resid  10 and name HN) (resid   9 and name HB*)  0.0 0.0 5.0 !   9 HB*  (  3.537) ( 0.00 A) (  2.090)
assign (resid  11 and name HN) (resid  10 and name HA)  0.0 0.0 3.5 !  10 HA   (  5.281) ( 0.00 A) (  7.850)
assign (resid  11 and name HN) (resid  10 and name HB1)  0.0 0.0 5.0 !  10 HB1  (  2.961) ( 0.00 A) (  2.050)
assign (resid  11 and name HN) (resid  10 and name HD*)  0.0 0.0 5.0 !  10 HD*  (  7.064) ( 0.00 A) (  1.670)
assign (resid  12 and name HN) (resid  11 and name HA)  0.0 0.0 3.5 !  11 HA   (  4.502) ( 0.00 A) ( 10.280)
assign (resid  12 and name HN) (resid  11 and name HB*)  0.0 0.0 5.0 !  11 HB*   (schulter) ( 0.00 A) ( 10.280)
assign (resid  13 and name HN) (resid  12 and name HB*)  0.0 0.0 5.0 !  12 HB*  (  1.274) ( 0.00 A) (  1.540)
assign (resid  14 and name HN) (resid  13 and name HB*)  0.0 0.0 3.5 !  13 HB*  (  2.060) ( 0.00 A) (  6.190)
assign (resid  14 and name HN) (resid  13 and name HN)  0.0 0.0 3.5 !  13 HN   (  8.562) ( 0.00 A) (  4.240)
assign (resid  14 and name HN) (resid  15 and name HG1*)  0.0 0.0 5.0 !  15 HG1* (  0.972) ( 0.00 A) (  1.780)
assign (resid  14 and name HN) (resid  15 and name HN)  0.0 0.0 3.5 !  15 HN   (  7.590) ( 0.00 A) (  6.380)
assign (resid  15 and name HN) (resid  14 and name HA)  0.0 0.0 5.0 !  14 HA   (  4.128) ( 0.00 A) (  4.140)
assign (resid  15 and name HN) (resid  14 and name HB1)  0.0 0.0 5.0 !  14 HB1  (  3.815) ( 0.00 A) (  2.640)
assign (resid  15 and name HN) (resid  14 and name HB2)  0.0 0.0 5.0 !  14 HB2  (  3.507) ( 0.00 A) (  2.120)
assign (resid  15 and name HN) (resid  16 and name HN)  0.0 0.0 3.5 !  16 HN   (  8.673) ( 0.00 A) (  4.160)
assign (resid  16 and name HN) (resid   15 and name HG2*)  0.0 0.0 3.5 !   15 HG2* () ( 0.00 A) (  5.410)
assign (resid  16 and name HN) (resid  15 and name HA)  0.0 0.0 5.0 !  15 HA   (  3.240) ( 0.00 A) (  1.490)
assign (resid  16 and name HN) (resid  15 and name HB)  0.0 0.0 3.5 !  15 HB   (  2.277) ( 0.00 A) (  4.880)
assign (resid  16 and name HN) (resid  17 and name HN)  0.0 0.0 3.5 !  17 HN   (  7.189) ( 0.00 A) (  4.160)
assign (resid  17 and name HN) (resid  16 and name HA)  0.0 0.0 5.0 !  16 HA   (  3.718) ( 0.00 A) (  1.680)
assign (resid  17 and name HN) (resid  18 and name HN)  0.0 0.0 3.5 !  18 HN   (  7.793) ( 0.00 A) (  6.110)
assign (resid  18 and name HN) (resid  17 and name HA)  0.0 0.0 5.0 !  17 HA   (  4.110) ( 0.00 A) (  1.930)
assign (resid  18 and name HN) (resid  17 and name HB*)  0.0 0.0 5.0 !  17 HB*  (  1.963) ( 0.00 A) (  2.350)
assign (resid  18 and name HN) (resid  19 and name HN)  0.0 0.0 5.0 !  19 HN   (  7.244) ( 0.00 A) (  7.060)
assign (resid  19 and name HN) (resid  18 and name HA)  0.0 0.0 5.0 !  18 HA   (  3.816) ( 0.00 A) (  2.740)
assign (resid  19 and name HN) (resid  18 and name HB2)  0.0 0.0 5.0 !  18 HB2  (  1.294) ( 0.00 A) (  1.690)
assign (resid  20 and name HN) (resid  19 and name HA)  0.0 0.0 5.0 !  19 HA   (  4.057) ( 0.00 A) (  1.400)
assign (resid  20 and name HN) (resid  19 and name HB1)  0.0 0.0 5.0 !  19 HB1  (  1.816) ( 0.00 A) (  1.580)
assign (resid  20 and name HN) (resid  19 and name HN)  0.0 0.0 5.0 !  19 HN   (  7.244) ( 0.00 A) (  2.400)
assign (resid  20 and name HN) (resid  21 and name HN)  0.0 0.0 5.0 !  21 HN   (  7.245) ( 0.00 A) (  2.400)
assign (resid  21 and name HN) (resid  20 and name HA)  0.0 0.0 5.0 !  20 HA   (  4.578) ( 0.00 A) (  2.240)
assign (resid  21 and name HN) (resid  20 and name HB2)  0.0 0.0 5.0 !  20 HB2  (  2.658) ( 0.00 A) (  1.730)
assign (resid  21 and name HN) (resid  22 and name HN)  0.0 0.0 5.0 !  22 HN   (  7.757) ( 0.00 A) ( 10.570)
assign (resid  22 and name HN) (resid  21 and name HG)  0.0 0.0 5.0 !  21 HG   (  1.765) ( 0.00 A) (  2.020)
assign (resid  23 and name HN) (resid  22 and name HA)  0.0 0.0 2.7 !  22 HA   (  4.329) ( 0.00 A) ( 14.270)
assign (resid  25 and name HN) (resid  24 and name HA)  0.0 0.0 2.7 !  24 HA   (  4.421) ( 0.00 A) ( 20.040)
assign (resid  25 and name HN) (resid  26 and name HN)  0.0 0.0 5.0 !  26 HN   (  8.313) ( 0.00 A) (  3.640)
assign (resid  26 and name HN) (resid  25 and name HA)  0.0 0.0 3.5 !  25 HA   (  4.331) ( 0.00 A) ( 17.990)
assign (resid  28 and name HN) (resid  27 and name HA)  0.0 0.0 3.5 !  27 HA   (  4.394) ( 0.00 A) ( 17.240)
assign (resid  28 and name HN) (resid  27 and name HB1)  0.0 0.0 5.0 !  27 HB1  (  2.294) ( 0.00 A) (  2.350)
assign (resid  28 and name HN) (resid  27 and name HB2)  0.0 0.0 5.0 !  27 HB2  (  2.044) ( 0.00 A) (  1.730)
assign (resid  28 and name HN) (resid  29 and name HN)  0.0 0.0 5.0 !  29 HN   (  8.096) ( 0.00 A) (  2.650)
assign (resid  29 and name HN) (resid  28 and name HA)  0.0 0.0 2.7 !  28 HA   (  4.336) ( 0.00 A) ( 12.630)
assign (resid  29 and name HN) (resid  28 and name HB*)  0.0 0.0 5.0 !  28 HB*  (  1.817) ( 0.00 A) (  3.430)
assign (resid  29 and name HN) (resid  30 and name HN)  0.0 0.0 5.0 !  30 HN   (  8.508) ( 0.00 A) (  4.270)
assign (resid  30 and name HN) (resid  29 and name HA)  0.0 0.0 2.7 !  29 HA   (  4.130) ( 0.00 A) ( 13.360)
assign (resid  30 and name HN) (resid  29 and name HB)  0.0 0.0 5.0 !  29 HB   (  2.096) ( 0.00 A) (  2.090)
assign (resid  30 and name HN) (resid  29 and name HG1*)  0.0 0.0 5.0 !  29 HG1* (  0.949) ( 0.00 A) (  3.520)
assign (resid  30 and name HN) (resid  29 and name HG2*)  0.0 0.0 5.0 !  29 HG2* (  0.949) ( 0.00 A) (  3.520)
assign (resid  30 and name HN) (resid  31 and name HN)  0.0 0.0 5.0 !  31 HN   (  8.218) ( 0.00 A) (  2.570)
assign (resid  31 and name HN) (resid  30 and name HA*)  0.0 0.0 3.5 !  30 HA*  (  3.949) ( 0.00 A) (  9.550)
assign (resid  33 and name HN) (resid  32 and name HA)  0.0 0.0 3.5 !  32 HA   (  4.311) ( 0.00 A) ( 20.220)
assign (resid  34 and name HN) (resid  33 and name HA)  0.0 0.0 2.7 !  33 HA   (  4.246) ( 0.00 A) ( 13.100)
assign (resid  34 and name HN) (resid  33 and name HB*)  0.0 0.0 5.0 !  33 HB*  (  1.711) ( 0.00 A) (  3.380)
assign (resid  34 and name HN) (resid  33 and name HG*)  0.0 0.0 5.0 !  33 HG*  (  1.586) ( 0.00 A) (  1.450)
assign (resid  35 and name HN) (resid  34 and name HA)  0.0 0.0 3.5 !  34 HA   (  4.664) ( 0.00 A) ( 19.200)
assign (resid  35 and name HN) (resid  34 and name HB*)  0.0 0.0 5.0 !  34 HB*  (  2.693) ( 0.00 A) (  2.660)
assign (resid  36 and name HN) (resid  35 and name HA)  0.0 0.0 3.5 !  35 HA   (  4.604) ( 0.00 A) ( 26.820)
assign (resid  36 and name HN) (resid  35 and name HB1)  0.0 0.0 5.0 !  35 HB1  (  3.143) ( 0.00 A) (  2.580)
assign (resid  36 and name HN) (resid  35 and name HB2)  0.0 0.0 5.0 !  35 HB2  (  2.994) ( 0.00 A) (  2.400)
assign (resid  36 and name HN) (resid  37 and name HD2)  0.0 0.0 5.0 !  37 HD2  (  3.635) ( 0.00 A) (  2.010)
assign (resid  38 and name HN) (resid  37 and name HA)  0.0 0.0 3.5 !  37 HA   (  4.388) ( 0.00 A) ( 27.760)
assign (resid  38 and name HN) (resid  37 and name HB1)  0.0 0.0 5.0 !  37 HB1  (  2.244) ( 0.00 A) (  2.420)
assign (resid  38 and name HN) (resid  37 and name HD1)  0.0 0.0 5.0 !  37 HD1  (  3.661) ( 0.00 A) (  1.390)
assign (resid  40 and name HN) (resid  39 and name HA)  0.0 0.0 2.7 !  39 HA   (  4.357) ( 0.00 A) ( 16.710)
assign (resid  40 and name HN) (resid  39 and name HB1)  0.0 0.0 5.0 !  39 HB1  (  2.311) ( 0.00 A) (  2.240)
assign (resid  40 and name HN) (resid  39 and name HB2)  0.0 0.0 5.0 !  39 HB2  (  1.953) ( 0.00 A) (  2.150)
assign (resid  41 and name HN) (resid  40 and name HA1)  0.0 0.0 3.5 !  40 HA1  (  4.157) ( 0.00 A) (  5.020)
assign (resid  41 and name HN) (resid  40 and name HA2)  0.0 0.0 3.5 !  40 HA2  (  3.792) ( 0.00 A) (  4.310)
assign (resid  41 and name HN) (resid  40 and name HN)  0.0 0.0 3.5 !  40 HN   (  8.657) ( 0.00 A) (  4.520)
assign (resid  43 and name HN) (resid  42 and name HA)  0.0 0.0 2.7 !  42 HA   (  4.473) ( 0.00 A) ( 19.860)
assign (resid  43 and name HN) (resid  42 and name HB1)  0.0 0.0 5.0 !  42 HB1  (  2.302) ( 0.00 A) (  2.890)
assign (resid  44 and name HN) (resid  43 and name HA)  0.0 0.0 2.7 !  43 HA   (  4.108) ( 0.00 A) ( 12.560)
assign (resid  44 and name HN) (resid  43 and name HN)  0.0 0.0 5.0 !  43 HN   (  8.366) ( 0.00 A) (  2.910)
assign (resid  48 and name HN) (resid  49 and name HN)  0.0 0.0 5.0 !  49 HN   (  7.552) ( 0.00 A) (  1.930)
assign (resid  49 and name HN) (resid  48 and name HA)  0.0 0.0 5.0 !  48 HA   (  3.419) ( 0.00 A) (  2.630)
assign (resid  49 and name HN) (resid  48 and name HB1)  0.0 0.0 5.0 !  48 HB1  (  2.828) ( 0.00 A) (  1.470)
assign (resid  49 and name HN) (resid  48 and name HB2)  0.0 0.0 5.0 !  48 HB2  (  2.593) ( 0.00 A) (  1.880)
assign (resid  49 and name HN) (resid  50 and name HB*)  0.0 0.0 5.0 !  50 HB*  (  2.987) ( 0.00 A) (  1.950)
assign (resid  49 and name HN) (resid  50 and name HN)  0.0 0.0 3.5 !  50 HN   (  7.757) ( 0.00 A) (  9.180)
assign (resid  50 and name HN) (resid  49 and name HA)  0.0 0.0 3.5 !  49 HA   (  4.416) ( 0.00 A) (  4.210)
assign (resid  50 and name HN) (resid  49 and name HB*)  0.0 0.0 5.0 !  49 HB*  () ( 0.00 A) (  2.880)
assign (resid  50 and name HN) (resid  51 and name HD2)  0.0 0.0 5.0 !  51 HD2  (  3.732) ( 0.00 A) (  1.430)
assign (resid  52 and name HN) (resid  51 and name HA)  0.0 0.0 5.0 !  51 HA   (  4.428) ( 0.00 A) (  2.340)
assign (resid  52 and name HN) (resid  51 and name HD1)  0.0 0.0 5.0 !  51 HD1  (  3.968) ( 0.00 A) (  1.940)
assign (resid  52 and name HN) (resid  51 and name HD2)  0.0 0.0 5.0 !  51 HD2  (  3.732) ( 0.00 A) (  3.700)
assign (resid  52 and name HN) (resid  51 and name HG*)  0.0 0.0 5.0 !  51 HG*  (  2.019) ( 0.00 A) (  5.090)
assign (resid  52 and name HN) (resid  53 and name HB1)  0.0 0.0 5.0 !  53 HB1  (  3.431) ( 0.00 A) (  1.470)
assign (resid  52 and name HN) (resid  53 and name HN)  0.0 0.0 3.5 !  53 HN   (  8.044) ( 0.00 A) (  9.140)
assign (resid  53 and name HN) (resid  52 and name HA)  0.0 0.0 5.0 !  52 HA   (  4.929) ( 0.00 A) (  3.250)
assign (resid  53 and name HN) (resid  52 and name HB2)  0.0 0.0 5.0 !  52 HB2  (  2.509) ( 0.00 A) (  1.630)
assign (resid  55 and name HN) (resid  54 and name HA)  0.0 0.0 2.7 !  54 HA   (  4.169) ( 0.00 A) ( 29.730)
assign (resid  55 and name HN) (resid  54 and name HB2)  0.0 0.0 5.0 !  54 HB2  (  1.441) ( 0.00 A) (  2.300)
assign (resid  55 and name HN) (resid  56 and name HN)  0.0 0.0 5.0 !  56 HN   (  9.075) ( 0.00 A) (  3.790)
assign (resid  56 and name HN) (resid  55 and name HA)  0.0 0.0 5.0 !  55 HA   (  3.864) ( 0.00 A) (  2.810)
assign (resid  56 and name HN) (resid  55 and name HB2)  0.0 0.0 5.0 !  55 HB2  (  2.035) ( 0.00 A) (  3.800)
assign (resid  56 and name HN) (resid  57 and name HN)  0.0 0.0 5.0 !  57 HN   (  7.124) ( 0.00 A) (  3.750)
assign (resid  57 and name HN) (resid  56 and name HA)  0.0 0.0 5.0 !  56 HA   (  4.047) ( 0.00 A) (  1.930)
assign (resid  57 and name HN) (resid  56 and name HB1)  0.0 0.0 5.0 !  56 HB1  (  2.228) ( 0.00 A) (  3.230)
assign (resid  57 and name HN) (resid  56 and name HB2)  0.0 0.0 5.0 !  56 HB2  (  1.683) ( 0.00 A) (  2.770)
assign (resid  57 and name HN) (resid  58 and name HN)  0.0 0.0 3.5 !  58 HN   (  7.451) ( 0.00 A) (  6.950)
assign (resid  58 and name HN) (resid  57 and name HB*)  0.0 0.0 5.0 !  57 HB*  (  1.199) ( 0.00 A) (  2.940)
assign (resid  58 and name HN) (resid  57 and name HG)  0.0 0.0 5.0 !  57 HG   (  0.780) ( 0.00 A) (  1.270)
assign (resid  58 and name HN) (resid  59 and name HD1)  0.0 0.0 3.5 !  59 HD1  (  3.841) ( 0.00 A) (  6.210)
assign (resid  58 and name HN) (resid  59 and name HD2)  0.0 0.0 5.0 !  59 HD2  (  3.588) ( 0.00 A) (  2.900)
assign (resid  60 and name HN) (resid  59 and name HA)  0.0 0.0 5.0 !  59 HA   (  4.372) ( 0.00 A) (  1.670)
assign (resid  60 and name HN) (resid  59 and name HD2)  0.0 0.0 5.0 !  59 HD2  (  3.588) ( 0.00 A) (  2.380)
assign (resid  61 and name HN) (resid  60 and name HB1)  0.0 0.0 5.0 !  60 HB1  (  1.733) ( 0.00 A) (  1.500)
assign (resid  61 and name HN) (resid  60 and name HD1*)  0.0 0.0 5.0 !  60 HD1* (  0.692) ( 0.00 A) (  4.080)
assign (resid  61 and name HN) (resid  60 and name HD2*)  0.0 0.0 5.0 !  60 HD2* (  0.692) ( 0.00 A) (  4.080)
assign (resid  61 and name HN) (resid  60 and name HG)  0.0 0.0 5.0 !  60 HG   (  2.195) ( 0.00 A) (  5.120)
assign (resid  61 and name HN) (resid  62 and name HB*)  0.0 0.0 5.0 !  62 HB*  (  1.957) ( 0.00 A) (  1.230)
assign (resid  61 and name HN) (resid  62 and name HN)  0.0 0.0 3.5 !  62 HN   (  7.171) ( 0.00 A) (  5.160)
assign (resid  62 and name HN) (resid  61 and name HA)  0.0 0.0 5.0 !  61 HA   (  3.942) ( 0.00 A) (  2.770)
assign (resid  62 and name HN) (resid  61 and name HB1)  0.0 0.0 5.0 !  61 HB1  (  3.332) ( 0.00 A) (  2.580)
assign (resid  62 and name HN) (resid  61 and name HB2)  0.0 0.0 5.0 !  61 HB2  (  2.909) ( 0.00 A) (  1.610)
assign (resid  62 and name HN) (resid  63 and name HG1)  0.0 0.0 5.0 !  63 HG1  (  2.550) ( 0.00 A) (  1.280)
assign (resid  62 and name HN) (resid  63 and name HN)  0.0 0.0 3.5 !  63 HN   (  7.687) ( 0.00 A) (  7.020)
assign (resid  63 and name HN) (resid  62 and name HB*)  0.0 0.0 5.0 !  62 HB*  (  1.957) ( 0.00 A) (  1.800)
assign (resid  65 and name HN) (resid  64 and name HA)  0.0 0.0 5.0 !  64 HA   (  4.443) ( 0.00 A) (  2.680)
assign (resid  65 and name HN) (resid  64 and name HD1)  0.0 0.0 5.0 !  64 HD1  (  4.022) ( 0.00 A) (  2.020)
assign (resid  65 and name HN) (resid  64 and name HD2)  0.0 0.0 5.0 !  64 HD2  (  3.907) ( 0.00 A) (  2.200)
assign (resid  65 and name HN) (resid  64 and name HG*)  0.0 0.0 5.0 !  64 HG*  (  2.139) ( 0.00 A) (  7.210)
assign (resid  65 and name HN) (resid  66 and name HB*)  0.0 0.0 5.0 !  66 HB*  (  1.614) ( 0.00 A) (  1.250)
assign (resid  65 and name HN) (resid  66 and name HN)  0.0 0.0 3.5 !  66 HN   (  7.423) ( 0.00 A) (  5.840)
assign (resid  66 and name HN) (resid  65 and name HA)  0.0 0.0 3.5 !  65 HA   (  5.183) ( 0.00 A) (  4.040)
assign (resid  66 and name HN) (resid  67 and name HN)  0.0 0.0 5.0 !  67 HN   (  8.934) ( 0.00 A) (  3.750)
assign (resid  67 and name HN) (resid  66 and name HB*)  0.0 0.0 3.5 !  66 HB*  (  1.614) ( 0.00 A) (  6.790)
assign (resid  67 and name HN) (resid  68 and name HN)  0.0 0.0 3.5 !  68 HN   (  7.709) ( 0.00 A) (  5.070)
assign (resid  68 and name HN) (resid  67 and name HA)  0.0 0.0 5.0 !  67 HA   (  3.907) ( 0.00 A) (  2.230)
assign (resid  68 and name HN) (resid  69 and name HB)  0.0 0.0 5.0 !  69 HB   (  1.767) ( 0.00 A) (  2.620)
assign (resid  68 and name HN) (resid  69 and name HD1*)  0.0 0.0 5.0 !  69 HD1* (  0.959) ( 0.00 A) (  1.290)
assign (resid  69 and name HN) (resid  68 and name HA)  0.0 0.0 5.0 !  68 HA   (  4.078) ( 0.00 A) (  1.510)
assign (resid  69 and name HN) (resid  68 and name HB*)  0.0 0.0 5.0 !  68 HB*  (  2.220) ( 0.00 A) (  3.690)
assign (resid  69 and name HN) (resid  68 and name HG*)  0.0 0.0 5.0 !  68 HG*  (  2.398) ( 0.00 A) (  1.740)
assign (resid  69 and name HN) (resid  68 and name HN)  0.0 0.0 3.5 !  68 HN   (  7.709) ( 0.00 A) (  5.850)
assign (resid  69 and name HN) (resid  70 and name HN)  0.0 0.0 3.5 !  70 HN   (  8.544) ( 0.00 A) (  4.030)
assign (resid  70 and name HN) (resid  69 and name HA)  0.0 0.0 5.0 !  69 HA   (  3.678) ( 0.00 A) (  1.530)
assign (resid  71 and name HN) (resid  70 and name HA)  0.0 0.0 5.0 !  70 HA   (  3.868) ( 0.00 A) (  2.310)
assign (resid  71 and name HN) (resid  70 and name HB*)  0.0 0.0 3.5 !  70 HB*  (  1.740) ( 0.00 A) (  5.940)
assign (resid  71 and name HN) (resid  70 and name HD1*)  0.0 0.0 5.0 !  70 HD1* (  0.960) ( 0.00 A) (  2.060)
assign (resid  71 and name HN) (resid  70 and name HD2*)  0.0 0.0 5.0 !  70 HD2* (  0.960) ( 0.00 A) (  2.060)
assign (resid  71 and name HN) (resid  70 and name HN)  0.0 0.0 3.5 !  70 HN   (  8.544) ( 0.00 A) (  4.440)
assign (resid  71 and name HN) (resid  72 and name HN)  0.0 0.0 3.5 !  72 HN   (  7.536) ( 0.00 A) (  4.410)
assign (resid  72 and name HN) (resid  71 and name HB*)  0.0 0.0 3.5 !  71 HB*  (  2.229) ( 0.00 A) (  6.480)
assign (resid  72 and name HN) (resid  73 and name HN)  0.0 0.0 3.5 !  73 HN   (  8.377) ( 0.00 A) (  4.460)
assign (resid  73 and name HN) (resid  72 and name HB*)  0.0 0.0 5.0 !  72 HB*  (  2.392) ( 0.00 A) ( 0.02670)
assign (resid  73 and name HN) (resid  74 and name HN)  0.0 0.0 5.0 !  74 HN   (  9.059) ( 0.00 A) (  3.600)
assign (resid  74 and name HN) (resid  73 and name HA)  0.0 0.0 5.0 !  73 HA   (  4.038) ( 0.00 A) (  3.570)
assign (resid  74 and name HN) (resid  73 and name HB1)  0.0 0.0 5.0 !  73 HB1  (  1.848) ( 0.00 A) (  3.090)
assign (resid  74 and name HN) (resid  73 and name HB2)  0.0 0.0 5.0 !  73 HB2  (  1.279) ( 0.00 A) (  1.680)
assign (resid  75 and name HN) (resid  74 and name HA)  0.0 0.0 5.0 !  74 HA   (  3.727) ( 0.00 A) (  1.720)
assign (resid  75 and name HN) (resid  74 and name HN)  0.0 0.0 3.5 !  74 HN   (  9.059) ( 0.00 A) (  4.700)
assign (resid  75 and name HN) (resid  76 and name HB)  0.0 0.0 5.0 !  76 HB   (  1.834) ( 0.00 A) (  1.630)
assign (resid  75 and name HN) (resid  76 and name HN)  0.0 0.0 3.5 !  76 HN   (  7.020) ( 0.00 A) (  5.030)
assign (resid  76 and name HN) (resid  75 and name HA)  0.0 0.0 5.0 !  75 HA   (  3.987) ( 0.00 A) (  3.650)
assign (resid  76 and name HN) (resid  75 and name HB*)  0.0 0.0 5.0 !  75 HB*  (  2.145) ( 0.00 A) (  3.860)
assign (resid  76 and name HN) (resid  77 and name HN)  0.0 0.0 3.5 !  77 HN   (  8.127) ( 0.00 A) (  5.140)
assign (resid  77 and name HN) (resid  76 and name HA)  0.0 0.0 5.0 !  76 HA   (  3.500) ( 0.00 A) (  1.690)
assign (resid  77 and name HN) (resid  76 and name HB)  0.0 0.0 3.5 !  76 HB   (  1.834) ( 0.00 A) (  6.710)
assign (resid  77 and name HN) (resid  76 and name HD1*)  0.0 0.0 5.0 !  76 HD1* (  0.911) ( 0.00 A) (  4.780)
assign (resid  77 and name HN) (resid  76 and name HG2*)  0.0 0.0 5.0 !  76 HG2* (  0.782) ( 0.00 A) (  4.780)
assign (resid  77 and name HN) (resid  78 and name HB*)  0.0 0.0 5.0 !  78 HB*  (  2.057) ( 0.00 A) (  1.620)
assign (resid  77 and name HN) (resid  78 and name HN)  0.0 0.0 3.5 !  78 HN   (  7.711) ( 0.00 A) (  4.020)
assign (resid  78 and name HN) (resid  77 and name HA)  0.0 0.0 5.0 !  77 HA   (  3.676) ( 0.00 A) (  2.130)
assign (resid  78 and name HN) (resid  77 and name HB*)  0.0 0.0 3.5 !  77 HB*  (  1.465) ( 0.00 A) (  4.250)
assign (resid  78 and name HN) (resid  79 and name HN)  0.0 0.0 3.5 !  79 HN   (  7.126) ( 0.00 A) (  5.250)
assign (resid  79 and name HN) (resid  78 and name HA)  0.0 0.0 5.0 !  78 HA   (  3.987) ( 0.00 A) (  3.870)
assign (resid  79 and name HN) (resid  78 and name HB*)  0.0 0.0 3.5 !  78 HB*  (  2.057) ( 0.00 A) (  7.830)
assign (resid  79 and name HN) (resid  78 and name HG*)  0.0 0.0 5.0 !  78 HG*  (  2.409) ( 0.00 A) (  1.200)
assign (resid  79 and name HN) (resid  80 and name HD1)  0.0 0.0 5.0 !  80 HD1  (  3.810) ( 0.00 A) (  2.630)
assign (resid  79 and name HN) (resid  80 and name HD2)  0.0 0.0 5.0 !  80 HD2  (  3.602) ( 0.00 A) (  3.600)
assign (resid  81 and name HN) (resid  80 and name HA)  0.0 0.0 5.0 !  80 HA   (  4.652) ( 0.00 A) (  1.790)
assign (resid  81 and name HN) (resid  80 and name HB1)  0.0 0.0 5.0 !  80 HB1  (  2.067) ( 0.00 A) (  2.180)
assign (resid  81 and name HN) (resid  80 and name HB2)  0.0 0.0 5.0 !  80 HB2  (  1.966) ( 0.00 A) (  2.270)
assign (resid  81 and name HN) (resid  80 and name HD2)  0.0 0.0 5.0 !  80 HD2  (  3.602) ( 0.00 A) (  1.870)
assign (resid  81 and name HN) (resid  82 and name HN)  0.0 0.0 5.0 !  82 HN   (  8.395) ( 0.00 A) (  3.730)
assign (resid  82 and name HN) (resid  81 and name HA2)  0.0 0.0 5.0 !  81 HA2  (  3.835) ( 0.00 A) (  1.780)
assign (resid  83 and name HN) (resid  82 and name HA)  0.0 0.0 5.0 !  82 HA   (  4.058) ( 0.00 A) (  2.100)
assign (resid  83 and name HN) (resid  82 and name HN)  0.0 0.0 3.5 !  82 HN   (  8.395) ( 0.00 A) (  5.200)
assign (resid  83 and name HN) (resid  84 and name HN)  0.0 0.0 3.5 !  84 HN   (  8.648) ( 0.00 A) (  4.890)
assign (resid  84 and name HN) (resid  83 and name HB2)  0.0 0.0 5.0 !  83 HB2  (  3.138) ( 0.00 A) (  3.540)
assign (resid  84 and name HN) (resid  85 and name HD1*)  0.0 0.0 5.0 !  85 HD1* (  0.932) ( 0.00 A) (  2.730)
assign (resid  84 and name HN) (resid  85 and name HG2*)  0.0 0.0 5.0 !  85 HG2* (  0.932) ( 0.00 A) (  2.730)
assign (resid  84 and name HN) (resid  85 and name HN)  0.0 0.0 5.0 !  85 HN   (  6.675) ( 0.00 A) (  2.570)
assign (resid  85 and name HN) (resid  84 and name HB2)  0.0 0.0 5.0 !  84 HB2  (  2.054) ( 0.00 A) (  1.300)
assign (resid  85 and name HN) (resid  86 and name HN)  0.0 0.0 3.5 !  86 HN   (  8.589) ( 0.00 A) (  5.440)
assign (resid  86 and name HN) (resid  85 and name HA)  0.0 0.0 5.0 !  85 HA   (  4.627) ( 0.00 A) (  2.390)
assign (resid  86 and name HN) (resid  85 and name HD1*)  0.0 0.0 5.0 !  85 HD1* (  0.932) ( 0.00 A) (  1.630)
assign (resid  86 and name HN) (resid  85 and name HG11)  0.0 0.0 5.0 !  85 HG11 (  1.496) ( 0.00 A) (  1.970)
assign (resid  86 and name HN) (resid  85 and name HG2*)  0.0 0.0 5.0 !  85 HG2* (  0.932) ( 0.00 A) (  1.630)
assign (resid  86 and name HN) (resid  87 and name HN)  0.0 0.0 5.0 !  87 HN   (  8.378) ( 0.00 A) (  3.350)
assign (resid  87 and name HN) (resid  88 and name HN)  0.0 0.0 3.5 !  88 HN   (  7.050) ( 0.00 A) (  7.180)
assign (resid  88 and name HN) (resid  87 and name HA)  0.0 0.0 5.0 !  87 HA   (  4.561) ( 0.00 A) (  3.530)
assign (resid  88 and name HN) (resid  87 and name HB*)  0.0 0.0 3.5 !  87 HB*  (  1.478) ( 0.00 A) (  4.850)
assign (resid  89 and name HN) (resid  88 and name HA)  0.0 0.0 2.7 !  88 HA   (  4.804) ( 0.00 A) ( 18.720)
assign (resid  89 and name HN) (resid  88 and name HB*)  0.0 0.0 5.0 !  88 HB*  (  2.973) ( 0.00 A) (  2.140)
assign (resid  89 and name HN) (resid  88 and name HD*)  0.0 0.0 5.0 !  88 HD*  (  7.233) ( 0.00 A) (  2.250)
assign (resid  89 and name HN) (resid  90 and name HN)  0.0 0.0 5.0 !  90 HN   (  6.462) ( 0.00 A) (  2.730)
assign (resid  90 and name HN) (resid  89 and name HA)  0.0 0.0 5.0 !  89 HA   (  4.004) ( 0.00 A) (  1.740)
assign (resid  90 and name HN) (resid  89 and name HB*)  0.0 0.0 5.0 !  89 HB*  (  1.317) ( 0.00 A) (  3.550)
assign (resid  91 and name HN) (resid  90 and name HA)  0.0 0.0 5.0 !  90 HA   (  4.250) ( 0.00 A) (  3.040)
assign (resid  91 and name HN) (resid  90 and name HB*)  0.0 0.0 3.5 !  90 HB*  (  1.616) ( 0.00 A) (  4.350)
assign (resid  91 and name HN) (resid  90 and name HN)  0.0 0.0 3.5 !  90 HN   (  6.462) ( 0.00 A) (  6.140)
assign (resid  91 and name HN) (resid  92 and name HG*)  0.0 0.0 5.0 !  92 HG*  (  1.097) ( 0.00 A) (  1.900)
assign (resid  91 and name HN) (resid  92 and name HN)  0.0 0.0 5.0 !  92 HN   (  9.019) ( 0.00 A) (  1.220)
assign (resid  92 and name HN) (resid  91 and name HA)  0.0 0.0 3.5 !  91 HA   (  5.730) ( 0.00 A) (  9.810)
assign (resid  93 and name HN) (resid  92 and name HA)  0.0 0.0 3.5 !  92 HA   (  4.885) ( 0.00 A) (  9.710)
assign (resid  93 and name HN) (resid  92 and name HB)  0.0 0.0 3.5 !  92 HB   (  4.270) ( 0.00 A) (  8.510)
assign (resid  93 and name HN) (resid  92 and name HG*)  0.0 0.0 5.0 !  92 HG*  (  1.097) ( 0.00 A) (  3.510)
assign (resid  94 and name HN) (resid  93 and name HA2)  0.0 0.0 5.0 !  93 HA2  (  3.616) ( 0.00 A) (  2.990)
assign (resid  94 and name HN) (resid  93 and name HN)  0.0 0.0 3.5 !  93 HN   (  8.642) ( 0.00 A) (  7.780)

!h-bond restraints

assign (resid  79 and name hn ) (resid   76 and name o) 0.0 0.0 2.3
assign (resid  79 and name n  ) (resid   76 and name o) 0.0 0.0 3.1

assign (resid  78 and name hn ) (resid   74 and name o) 0.0 0.0 2.3
assign (resid  78 and name n  ) (resid   74 and name o) 0.0 0.0 3.1

assign (resid  77 and name hn ) (resid   73 and name o) 0.0 0.0 2.3
assign (resid  77 and name n  ) (resid   73 and name o) 0.0 0.0 3.1

assign (resid  76 and name hn ) (resid   72 and name o) 0.0 0.0 2.3
assign (resid  76 and name n  ) (resid   72 and name o) 0.0 0.0 3.1

assign (resid  75 and name hn ) (resid   71 and name o) 0.0 0.0 2.3
assign (resid  75 and name n  ) (resid   71 and name o) 0.0 0.0 3.1

assign (resid  74 and name hn ) (resid   70 and name o) 0.0 0.0 2.3
assign (resid  74 and name n  ) (resid   70 and name o) 0.0 0.0 3.1

assign (resid  73 and name hn ) (resid   69 and name o) 0.0 0.0 2.3
assign (resid  73 and name n  ) (resid   69 and name o) 0.0 0.0 3.1

assign (resid  70 and name hn ) (resid   66 and name o) 0.0 0.0 2.3
assign (resid  70 and name n  ) (resid   66 and name o) 0.0 0.0 3.1

assign (resid  69 and name hn ) (resid   65 and name o) 0.0 0.0 2.3
assign (resid  69 and name n  ) (resid   65 and name o) 0.0 0.0 3.1

assign (resid  16 and name hn ) (resid   12 and name o) 0.0 0.0 2.3
assign (resid  16 and name n  ) (resid   12 and name o) 0.0 0.0 3.1

assign (resid  17 and name hn ) (resid   13 and name o) 0.0 0.0 2.3
assign (resid  17 and name n  ) (resid   13 and name o) 0.0 0.0 3.1

assign (resid  18 and name hn ) (resid   14 and name o) 0.0 0.0 2.3
assign (resid  18 and name n  ) (resid   14 and name o) 0.0 0.0 3.1

assign (resid  3 and name hn ) (resid   10 and name o) 0.0 0.0 2.3
assign (resid  3 and name n  ) (resid   10 and name o) 0.0 0.0 3.1

assign (resid  10 and name hn ) (resid   3 and name o) 0.0 0.0 2.3
assign (resid  10 and name n  ) (resid   3 and name o) 0.0 0.0 3.1

assign (resid  57 and name hn ) (resid  54 and name o) 0.0 0.0 2.3
assign (resid  57 and name n  ) (resid  54 and name o) 0.0 0.0 3.1

assign (resid  58 and name hn ) (resid  55 and name o) 0.0 0.0 2.3
assign (resid  58 and name n  ) (resid  55 and name o) 0.0 0.0 3.1

assign (resid  60 and name hn ) (resid  57 and name o) 0.0 0.0 2.3
assign (resid  60 and name n  ) (resid  57 and name o) 0.0 0.0 3.1

assign (resid  63 and name hn ) (resid  60 and name o) 0.0 0.0 2.3
assign (resid  63 and name n  ) (resid  60 and name o) 0.0 0.0 3.1

assign (resid   4 and name hn ) (resid  90 and name o) 0.0 0.0 2.3
assign (resid   4 and name n  ) (resid  90 and name o) 0.0 0.0 3.1

assign (resid  53 and name hn ) (resid  50 and name o) 0.0 0.0 2.3
assign (resid  53 and name n  ) (resid  50 and name o) 0.0 0.0 3.1

!assign (resid  84 and name hn ) (resid  81 and name o) 0.0 0.0 2.3
!assign (resid  84 and name n  ) (resid  81 and name o) 0.0 0.0 3.1

assign (resid  85 and name hn ) (resid  82 and name o) 0.0 0.0 2.3
assign (resid  85 and name n  ) (resid  82 and name o) 0.0 0.0 3.1

assign (resid  86 and name hn ) (resid  83 and name o) 0.0 0.0 2.3
assign (resid  86 and name n  ) (resid  83 and name o) 0.0 0.0 3.1

assign (resid  92 and name hn ) (resid   2 and name o) 0.0 0.0 2.3
assign (resid  92 and name n  ) (resid   2 and name o) 0.0 0.0 3.1

assign (resid  61 and name hn ) (resid  57 and name o) 0.0 0.0 2.3
assign (resid  61 and name n  ) (resid  57 and name o) 0.0 0.0 3.1


!J-coupling constraints

assign (resid   2 and name C    ) (resid   3 and name N    )
       (resid   3 and name CA   ) (resid   3 and name C    ) 10 -120 40 2 ! J(  3) =  9.71
assign (resid   3 and name C    ) (resid   4 and name N    )
       (resid   4 and name CA   ) (resid   4 and name C    ) 10 -120 40 2 ! J(  4) =  8.58
assign (resid   6 and name C    ) (resid   7 and name N    )
       (resid   7 and name CA   ) (resid   7 and name C    ) 10 -120 40 2 ! J(  7) =  8.30
assign (resid   9 and name C    ) (resid  10 and name N    )
       (resid  10 and name CA   ) (resid  10 and name C    ) 10 -120 40 2 ! J( 10) =  9.40
assign (resid  10 and name C    ) (resid  11 and name N    )
       (resid  11 and name CA   ) (resid  11 and name C    ) 10  -60 20 2 ! J( 11) =  3.76
assign (resid  14 and name C    ) (resid  15 and name N    )
       (resid  15 and name CA   ) (resid  15 and name C    ) 10  -60 20 2 ! J( 15) =  4.48
assign (resid  15 and name C    ) (resid  16 and name N    )
       (resid  16 and name CA   ) (resid  16 and name C    ) 10  -60 20 2 ! J( 16) =  3.61
assign (resid  16 and name C    ) (resid  17 and name N    )
       (resid  17 and name CA   ) (resid  17 and name C    ) 10  -60 20 2 ! J( 17) =  5.41
assign (resid  49 and name C    ) (resid  50 and name N    )
       (resid  50 and name CA   ) (resid  50 and name C    ) 10  -60 20 2 ! J( 50) =  5.27
assign (resid  52 and name C    ) (resid  53 and name N    )
       (resid  53 and name CA   ) (resid  53 and name C    ) 10  -60 20 2 ! J( 53) =  3.48
assign (resid  54 and name C    ) (resid  55 and name N    )
       (resid  55 and name CA   ) (resid  55 and name C    ) 10  -60 20 2 ! J( 55) =  1.88
assign (resid  55 and name C    ) (resid  56 and name N    )
       (resid  56 and name CA   ) (resid  56 and name C    ) 10  -60 20 2 ! J( 56) =  3.34
assign (resid  56 and name C    ) (resid  57 and name N    )
       (resid  57 and name CA   ) (resid  57 and name C    ) 10 -120 40 2 ! J( 57) =  8.11
assign (resid  57 and name C    ) (resid  58 and name N    )
       (resid  58 and name CA   ) (resid  58 and name C    ) 10  -60 20 2 ! J( 58) =  2.79
assign (resid  64 and name C    ) (resid  65 and name N    )
       (resid  65 and name CA   ) (resid  65 and name C    ) 10 -120 40 2 ! J( 65) =  9.65
assign (resid  70 and name C    ) (resid  71 and name N    )
       (resid  71 and name CA   ) (resid  71 and name C    ) 10  -60 20 2 ! J( 71) =  4.13
assign (resid  73 and name C    ) (resid  74 and name N    )
       (resid  74 and name CA   ) (resid  74 and name C    ) 10  -60 20 2 ! J( 74) =  3.86
assign (resid  84 and name C    ) (resid  85 and name N    )
       (resid  85 and name CA   ) (resid  85 and name C    ) 10 -120 40 2 ! J( 85) = 10.99
assign (resid  87 and name C    ) (resid  88 and name N    )
       (resid  88 and name CA   ) (resid  88 and name C    ) 10 -120 40 2 ! J( 88) =  8.30
assign (resid  90 and name C    ) (resid  91 and name N    )
       (resid  91 and name CA   ) (resid  91 and name C    ) 10 -120 40 2 ! J( 91) =  9.5
assign (resid   8 and name C    ) (resid   9 and name N    )
       (resid   9 and name CA   ) (resid   9 and name C    ) 10 -120 40 2 ! J(  9) =  10.5
assign (resid  66 and name C    ) (resid  67 and name N    )
       (resid  67 and name CA   ) (resid  67 and name C    ) 10  -60 20 2 ! J( 67) =  4.8
assign (resid  91 and name C    ) (resid  92 and name N    )
       (resid  92 and name CA   ) (resid  92 and name C    ) 10 -120 40 2 ! J( 92) =  10.7
assign (resid   1 and name C    ) (resid   2 and name N    )
       (resid   2 and name CA   ) (resid   2 and name C    ) 10 -120 40 2 ! J(  2) =  11.5
assign (resid   7 and name C    ) (resid   8 and name N    )
       (resid   8 and name CA   ) (resid   8 and name C    ) 10 -120 40 2 ! J(  8) =  9.3
assign (resid  67 and name C    ) (resid  68 and name N    )
       (resid  68 and name CA   ) (resid  68 and name C    ) 10  -60 20 2 ! J( 68) =  5.6
assign (resid  74 and name C    ) (resid  75 and name N    )
       (resid  75 and name CA   ) (resid  75 and name C    ) 10  -60 20 2 ! J( 75) =  5.6
assign (resid  61 and name C    ) (resid  62 and name N    )
       (resid  62 and name CA   ) (resid  62 and name C    ) 10 -120 40 2 ! J( 62) =  9.3
assign (resid  51 and name C    ) (resid  52 and name N    )
       (resid  52 and name CA   ) (resid  52 and name C    ) 10 -120 40 2 ! J( 52) =  9.0
assign (resid  35 and name C    ) (resid  36 and name N    )
       (resid  36 and name CA   ) (resid  36 and name C    ) 10  -60 20 2 ! J( 36) =  5.5


!restraints from residual dipolar couplings
assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 1    and name N   )
       ( resid 1    and name HN  )    -0.33  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 2    and name N   )
       ( resid 2    and name HN  )    -1.67  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 3    and name N   )
       ( resid 3    and name HN  )     2.49  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 4    and name N   )
       ( resid 4    and name HN  )    -2.76  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 5    and name N   )
       ( resid 5    and name HN  )     6.02  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 6    and name N   )
       ( resid 6    and name HN  )     1.58  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 7    and name N   )
       ( resid 7    and name HN  )    -7.48  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 8    and name N   )
       ( resid 8    and name HN  )     7.17  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 10   and name N   )
       ( resid 10   and name HN  )     6.08  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 11   and name N   )
       ( resid 11   and name HN  )     1.21  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 12   and name N   )
       ( resid 12   and name HN  )    -4.01  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 13   and name N   )
       ( resid 13   and name HN  )    -0.79  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 14   and name N   )
       ( resid 14   and name HN  )    -0.24  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 15   and name N   )
       ( resid 15   and name HN  )    -4.71  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 16   and name N   )
       ( resid 16   and name HN  )    -2.31  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 17   and name N   )
       ( resid 17   and name HN  )    -0.39  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 18   and name N   )
       ( resid 18   and name HN  )    -0.82  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 48   and name N   )
       ( resid 48   and name HN  )     6.08  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 50   and name N   )
       ( resid 50   and name HN  )     2.91  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 52   and name N   )
       ( resid 52   and name HN  )     3.92  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 53   and name N   )
       ( resid 53   and name HN  )    -8.14  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 55   and name N   )
       ( resid 55   and name HN  )     4.65  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 56   and name N   )
       ( resid 56   and name HN  )    -1.94  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 57   and name N   )
       ( resid 57   and name HN  )     1.91  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 58   and name N   )
       ( resid 58   and name HN  )     5.59  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 60   and name N   )
       ( resid 60   and name HN  )     0.24  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 61   and name N   )
       ( resid 61   and name HN  )     6.84  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 62   and name N   )
       ( resid 62   and name HN  )   -3.31  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 63   and name N   )
       ( resid 63   and name HN  )   -2.98  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 65   and name N   )
       ( resid 65   and name HN  )     0.73  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 66   and name N   )
       ( resid 66   and name HN  )    -6.02  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 67   and name N   )
       ( resid 67   and name HN  )    -5.90  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 68   and name N   )
       ( resid 68   and name HN  )    -4.28  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 69   and name N   )
       ( resid 69   and name HN  )    -7.90  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 70   and name N   )
       ( resid 70   and name HN  )    -7.60  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 71   and name N   )
       ( resid 71   and name HN  )    -4.40  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 72   and name N   )
       ( resid 72   and name HN  )    -4.92  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 74   and name N   )
       ( resid 74   and name HN  )    -5.77  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 75   and name N   )
       ( resid 75   and name HN  )    -2.70  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 76   and name N   )
       ( resid 76   and name HN  )    -5.93  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 77   and name N   )
       ( resid 77   and name HN  )    -4.98  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 78   and name N   )
       ( resid 78   and name HN  )     2.12  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 79   and name N   )
       ( resid 79   and name HN  )    -2.22  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 81   and name N   )
       ( resid 81   and name HN  )    -5.04  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 82   and name N   )
       ( resid 82   and name HN  )    -2.37  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 83   and name N   )
       ( resid 83   and name HN  )    -1.33  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 84   and name N   )
       ( resid 84   and name HN  )    -0.30  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 85   and name N   )
       ( resid 85   and name HN  )     2.34  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 86   and name N   )
       ( resid 86   and name HN  )    -1.85  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 88   and name N   )
       ( resid 88   and name HN  )     8.69  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 89   and name N   )
       ( resid 89   and name HN  )     9.70  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 90   and name N   )
       ( resid 90   and name HN  )     1.91  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 92   and name N   )
       ( resid 92   and name HN  )    -2.64  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 93   and name N   )
       ( resid 93   and name HN  )     1.70  0.5000

assign ( resid 500  and name OO  )
       ( resid 500  and name Z   )
       ( resid 500  and name Y   )
       ( resid 500  and name X   )
       ( resid 94   and name N   )
       ( resid 94   and name HN  )     1.06  0.5000
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   VAL   1          3H        VAL   1  -3.843 -13.081   0.366
    2    H2   VAL   1          2H        VAL   1  -3.318 -11.827  -0.652
    3    H3   VAL   1          1H        VAL   1  -2.729 -13.405  -0.870
    4    HA   VAL   1           HA       VAL   1  -1.488 -13.331   1.146
    5    HB   VAL   1           HB       VAL   1  -1.258 -10.687  -0.322
    6   1HG1  VAL   1          1HG1      VAL   1   0.457 -12.278   1.494
    7   2HG1  VAL   1          3HG1      VAL   1   1.264 -11.643   0.061
    8   3HG1  VAL   1          2HG1      VAL   1   0.457 -10.543   1.178
    9   1HG2  VAL   1          3HG2      VAL   1  -0.388 -13.479  -1.112
   10   2HG2  VAL   1          2HG2      VAL   1  -1.475 -12.409  -1.996
   11   3HG2  VAL   1          1HG2      VAL   1   0.240 -12.016  -1.871
   12    H    THR   2           HN       THR   2  -2.329 -13.048   3.210
   13    HA   THR   2           HA       THR   2  -3.133 -10.258   3.974
   14    HB   THR   2           HB       THR   2  -4.972 -12.004   3.729
   15    HG1  THR   2          1HG       THR   2  -5.854 -11.450   5.808
   16   1HG2  THR   2          1HG2      THR   2  -3.125 -13.496   5.294
   17   2HG2  THR   2          3HG2      THR   2  -4.560 -13.231   6.284
   18   3HG2  THR   2          2HG2      THR   2  -4.709 -14.007   4.707
   19    H    VAL   3           HN       VAL   3  -2.829  -9.823   6.309
   20    HA   VAL   3           HA       VAL   3  -0.259 -10.880   7.279
   21    HB   VAL   3           HB       VAL   3  -2.246  -8.920   8.477
   22   1HG1  VAL   3          2HG1      VAL   3  -0.162 -10.092   9.751
   23   2HG1  VAL   3          1HG1      VAL   3   0.674  -8.740   8.987
   24   3HG1  VAL   3          3HG1      VAL   3  -0.679  -8.438  10.077
   25   1HG2  VAL   3          2HG2      VAL   3   0.029  -8.611   6.517
   26   2HG2  VAL   3          1HG2      VAL   3  -1.623  -8.014   6.379
   27   3HG2  VAL   3          3HG2      VAL   3  -0.506  -7.263   7.519
   28    H    GLN   4           HN       GLN   4  -0.167 -12.683   8.568
   29    HA   GLN   4           HA       GLN   4  -2.634 -13.456  10.085
   30   1HB   GLN   4          2HB       GLN   4  -1.815 -14.962   8.282
   31   2HB   GLN   4          1HB       GLN   4  -0.268 -15.097   9.119
   32   1HG   GLN   4          2HG       GLN   4  -1.510 -15.973  11.121
   33   2HG   GLN   4          1HG       GLN   4  -2.977 -15.991  10.144
   34   1HE2  GLN   4          1HE2      GLN   4  -3.369 -18.011   9.243
   35   2HE2  GLN   4          2HE2      GLN   4  -2.176 -19.129   8.788
   36    H    ASP   5           HN       ASP   5  -2.481 -13.147  12.257
   37    HA   ASP   5           HA       ASP   5   0.210 -12.931  13.526
   38   1HB   ASP   5          2HB       ASP   5  -2.619 -12.245  14.385
   39   2HB   ASP   5          1HB       ASP   5  -1.204 -12.017  15.414
   40    H    GLY   6           HN       GLY   6  -1.663 -15.405  12.762
   41   1HA   GLY   6          1HA       GLY   6  -2.322 -16.759  15.173
   42   2HA   GLY   6          2HA       GLY   6  -0.672 -17.201  14.729
   43    H    ASN   7           HN       ASN   7  -3.436 -18.627  14.626
   44    HA   ASN   7           HA       ASN   7  -2.916 -19.971  12.045
   45   1HB   ASN   7          2HB       ASN   7  -4.837 -20.463  14.344
   46   2HB   ASN   7          1HB       ASN   7  -4.627 -21.550  12.970
   47   1HD2  ASN   7          1HD2      ASN   7  -4.039 -22.528  15.539
   48   2HD2  ASN   7          2HD2      ASN   7  -2.362 -22.719  15.708
   49    H    PHE   8           HN       PHE   8  -4.369 -17.191  12.583
   50    HA   PHE   8           HA       PHE   8  -6.717 -17.785  10.809
   51   1HB   PHE   8          2HB       PHE   8  -6.364 -15.753  13.037
   52   2HB   PHE   8          1HB       PHE   8  -7.803 -15.894  12.026
   53    HD1  PHE   8           HD1      PHE   8  -9.260 -17.887  12.176
   54    HD2  PHE   8           HD2      PHE   8  -5.860 -17.384  14.754
   55    HE1  PHE   8           HE1      PHE   8 -10.124 -19.671  13.665
   56    HE2  PHE   8           HE2      PHE   8  -6.725 -19.168  16.243
   57    HZ   PHE   8           HZ       PHE   8  -8.857 -20.312  15.699
   58    H    SER   9           HN       SER   9  -6.698 -16.654   8.894
   59    HA   SER   9           HA       SER   9  -4.508 -14.784   8.330
   60   1HB   SER   9          2HB       SER   9  -6.855 -15.941   6.810
   61   2HB   SER   9          1HB       SER   9  -5.756 -14.771   6.080
   62    HG   SER   9           HG       SER   9  -5.417 -17.354   6.272
   63    H    PHE  10           HN       PHE  10  -4.672 -12.611   8.718
   64    HA   PHE  10           HA       PHE  10  -7.415 -11.397   8.830
   65   1HB   PHE  10          2HB       PHE  10  -4.846 -10.737  10.308
   66   2HB   PHE  10          1HB       PHE  10  -6.354  -9.838  10.471
   67    HD1  PHE  10           HD1      PHE  10  -8.180 -12.332  10.197
   68    HD2  PHE  10           HD2      PHE  10  -4.730 -11.484  12.612
   69    HE1  PHE  10           HE1      PHE  10  -8.966 -13.960  11.893
   70    HE2  PHE  10           HE2      PHE  10  -5.517 -13.113  14.307
   71    HZ   PHE  10           HZ       PHE  10  -7.634 -14.353  13.947
   72    H    SER  11           HN       SER  11  -7.775  -9.811   7.325
   73    HA   SER  11           HA       SER  11  -5.682  -8.993   5.470
   74   1HB   SER  11          2HB       SER  11  -8.511  -7.996   5.958
   75   2HB   SER  11          1HB       SER  11  -7.544  -7.659   4.522
   76    HG   SER  11           HG       SER  11  -7.892  -9.606   3.810
   77    H    LEU  12           HN       LEU  12  -5.429  -6.510   5.061
   78    HA   LEU  12           HA       LEU  12  -4.923  -5.207   7.705
   79   1HB   LEU  12          2HB       LEU  12  -3.799  -4.722   4.926
   80   2HB   LEU  12          1HB       LEU  12  -3.272  -3.902   6.394
   81    HG   LEU  12           HG       LEU  12  -3.167  -6.902   5.961
   82   1HD1  LEU  12          3HD1      LEU  12  -1.500  -4.922   4.889
   83   2HD1  LEU  12          2HD1      LEU  12  -0.629  -5.519   6.302
   84   3HD1  LEU  12          1HD1      LEU  12  -1.126  -6.640   5.033
   85   1HD2  LEU  12          3HD2      LEU  12  -3.171  -5.394   8.319
   86   2HD2  LEU  12          2HD2      LEU  12  -2.628  -7.064   8.149
   87   3HD2  LEU  12          1HD2      LEU  12  -1.467  -5.742   8.023
   88    H    GLU  13           HN       GLU  13  -7.165  -5.118   5.201
   89    HA   GLU  13           HA       GLU  13  -7.513  -2.290   4.801
   90   1HB   GLU  13          2HB       GLU  13  -9.421  -4.646   4.635
   91   2HB   GLU  13          1HB       GLU  13  -9.745  -3.048   3.966
   92   1HG   GLU  13          2HG       GLU  13  -7.734  -3.247   2.536
   93   2HG   GLU  13          1HG       GLU  13  -7.434  -4.857   3.195
   94    H    SER  14           HN       SER  14  -9.865  -4.382   6.471
   95    HA   SER  14           HA       SER  14 -11.222  -2.436   7.925
   96   1HB   SER  14          2HB       SER  14 -10.459  -5.190   8.939
   97   2HB   SER  14          1HB       SER  14 -11.928  -4.287   9.309
   98    HG   SER  14           HG       SER  14 -12.744  -4.795   7.426
   99    H    VAL  15           HN       VAL  15  -8.246  -4.162   8.934
  100    HA   VAL  15           HA       VAL  15  -8.025  -2.991  11.527
  101    HB   VAL  15           HB       VAL  15  -6.119  -4.172   9.506
  102   1HG1  VAL  15          2HG1      VAL  15  -4.945  -2.415  10.888
  103   2HG1  VAL  15          1HG1      VAL  15  -5.402  -3.324  12.328
  104   3HG1  VAL  15          3HG1      VAL  15  -4.327  -4.049  11.133
  105   1HG2  VAL  15          1HG2      VAL  15  -7.751  -5.070  11.766
  106   2HG2  VAL  15          3HG2      VAL  15  -7.028  -6.014  10.463
  107   3HG2  VAL  15          2HG2      VAL  15  -6.074  -5.601  11.887
  108    H    LYS  16           HN       LYS  16  -6.511  -2.010   8.423
  109    HA   LYS  16           HA       LYS  16  -5.169   0.305   9.346
  110   1HB   LYS  16          2HB       LYS  16  -4.959  -0.743   7.106
  111   2HB   LYS  16          1HB       LYS  16  -6.594  -0.213   6.712
  112   1HG   LYS  16          2HG       LYS  16  -5.859   2.153   7.108
  113   2HG   LYS  16          1HG       LYS  16  -4.213   1.561   7.326
  114   1HD   LYS  16          2HD       LYS  16  -4.302   0.566   5.044
  115   2HD   LYS  16          1HD       LYS  16  -5.911   1.256   4.831
  116   1HE   LYS  16          2HE       LYS  16  -4.235   3.370   5.737
  117   2HE   LYS  16          1HE       LYS  16  -3.366   2.537   4.434
  118   1HZ   LYS  16          2HZ       LYS  16  -6.259   3.114   4.219
  119   2HZ   LYS  16          1HZ       LYS  16  -5.113   4.291   3.789
  120   3HZ   LYS  16          3HZ       LYS  16  -5.144   2.803   2.975
  121    H    LYS  17           HN       LYS  17  -8.435   0.082   7.882
  122    HA   LYS  17           HA       LYS  17  -9.112   2.827   8.646
  123   1HB   LYS  17          2HB       LYS  17 -10.713   0.495   7.538
  124   2HB   LYS  17          1HB       LYS  17 -11.291   2.158   7.631
  125   1HG   LYS  17          2HG       LYS  17  -9.383   2.871   6.202
  126   2HG   LYS  17          1HG       LYS  17  -8.883   1.186   6.061
  127   1HD   LYS  17          2HD       LYS  17 -11.128   0.651   5.094
  128   2HD   LYS  17          1HD       LYS  17 -11.516   2.372   5.131
  129   1HE   LYS  17          2HE       LYS  17 -10.706   2.042   2.925
  130   2HE   LYS  17          1HE       LYS  17  -9.277   2.643   3.786
  131   1HZ   LYS  17          3HZ       LYS  17  -9.003   0.134   4.374
  132   2HZ   LYS  17          2HZ       LYS  17  -9.952  -0.111   2.985
  133   3HZ   LYS  17          1HZ       LYS  17  -8.466   0.705   2.869
  134    H    LEU  18           HN       LEU  18  -8.690   0.225  10.542
  135    HA   LEU  18           HA       LEU  18 -11.103  -0.159  11.998
  136   1HB   LEU  18          2HB       LEU  18  -9.053  -1.552  12.072
  137   2HB   LEU  18          1HB       LEU  18  -8.197  -0.236  12.875
  138    HG   LEU  18           HG       LEU  18  -9.586  -0.397  14.818
  139   1HD1  LEU  18          1HD1      LEU  18 -11.283  -2.225  13.100
  140   2HD1  LEU  18          3HD1      LEU  18 -11.485  -2.082  14.847
  141   3HD1  LEU  18          2HD1      LEU  18 -11.753  -0.680  13.809
  142   1HD2  LEU  18          1HD2      LEU  18  -7.844  -2.277  14.269
  143   2HD2  LEU  18          3HD2      LEU  18  -8.960  -2.512  15.616
  144   3HD2  LEU  18          2HD2      LEU  18  -9.270  -3.295  14.065
  145    H    LYS  19           HN       LYS  19  -8.404   2.135  12.555
  146    HA   LYS  19           HA       LYS  19  -9.503   3.312  14.937
  147   1HB   LYS  19          2HB       LYS  19  -7.589   4.351  12.823
  148   2HB   LYS  19          1HB       LYS  19  -7.812   5.074  14.416
  149   1HG   LYS  19          2HG       LYS  19  -7.142   2.924  15.464
  150   2HG   LYS  19          1HG       LYS  19  -6.870   2.243  13.860
  151   1HD   LYS  19          2HD       LYS  19  -5.179   4.003  13.415
  152   2HD   LYS  19          1HD       LYS  19  -5.431   4.639  15.042
  153   1HE   LYS  19          2HE       LYS  19  -4.947   2.072  15.689
  154   2HE   LYS  19          1HE       LYS  19  -4.024   2.151  14.177
  155   1HZ   LYS  19          3HZ       LYS  19  -3.736   4.513  15.773
  156   2HZ   LYS  19          2HZ       LYS  19  -3.214   3.125  16.603
  157   3HZ   LYS  19          1HZ       LYS  19  -2.539   3.522  15.096
  158    H    ASP  20           HN       ASP  20  -9.888   4.033  11.489
  159    HA   ASP  20           HA       ASP  20 -11.989   6.042  12.231
  160   1HB   ASP  20          2HB       ASP  20  -9.830   7.018  11.409
  161   2HB   ASP  20          1HB       ASP  20 -10.041   6.125   9.903
  162    H    LEU  21           HN       LEU  21 -13.449   4.111  11.948
  163    HA   LEU  21           HA       LEU  21 -13.838   3.390   9.064
  164   1HB   LEU  21          2HB       LEU  21 -13.231   1.622  10.779
  165   2HB   LEU  21          1HB       LEU  21 -14.783   1.941  11.552
  166    HG   LEU  21           HG       LEU  21 -14.735   1.391   8.607
  167   1HD1  LEU  21          1HD1      LEU  21 -14.533  -0.707  10.790
  168   2HD1  LEU  21          3HD1      LEU  21 -14.940  -1.048   9.109
  169   3HD1  LEU  21          2HD1      LEU  21 -13.349  -0.404   9.519
  170   1HD2  LEU  21          3HD2      LEU  21 -16.719   1.961  10.372
  171   2HD2  LEU  21          2HD2      LEU  21 -16.966   0.997   8.916
  172   3HD2  LEU  21          1HD2      LEU  21 -16.713   0.200  10.469
  173    H    GLN  22           HN       GLN  22 -15.656   4.222   8.138
  174    HA   GLN  22           HA       GLN  22 -18.101   4.614   9.782
  175   1HB   GLN  22          2HB       GLN  22 -16.608   6.754   8.233
  176   2HB   GLN  22          1HB       GLN  22 -18.244   6.964   8.859
  177   1HG   GLN  22          2HG       GLN  22 -17.423   6.516  11.146
  178   2HG   GLN  22          1HG       GLN  22 -15.787   6.315  10.518
  179   1HE2  GLN  22          1HE2      GLN  22 -16.317   8.346  12.428
  180   2HE2  GLN  22          2HE2      GLN  22 -16.184   9.862  11.677
  181    H    GLU  23           HN       GLU  23 -17.907   2.626   7.953
  182    HA   GLU  23           HA       GLU  23 -19.940   3.269   5.998
  183   1HB   GLU  23          2HB       GLU  23 -18.563   3.248   4.011
  184   2HB   GLU  23          1HB       GLU  23 -17.839   4.404   5.129
  185   1HG   GLU  23          2HG       GLU  23 -16.275   2.626   5.905
  186   2HG   GLU  23          1HG       GLU  23 -16.965   1.530   4.708
  187    HA   PRO  24           HA       PRO  24 -20.414  -1.094   5.946
  188   1HB   PRO  24          2HB       PRO  24 -20.691  -1.316   3.092
  189   2HB   PRO  24          1HB       PRO  24 -21.969  -1.283   4.310
  190   1HG   PRO  24          2HG       PRO  24 -21.274   0.772   2.428
  191   2HG   PRO  24          1HG       PRO  24 -22.547   0.808   3.650
  192   1HD   PRO  24          2HD       PRO  24 -20.052   2.262   3.645
  193   2HD   PRO  24          1HD       PRO  24 -21.338   2.304   4.873
  194    H    GLN  25           HN       GLN  25 -19.409  -3.134   5.045
  195    HA   GLN  25           HA       GLN  25 -16.640  -3.216   5.078
  196   1HB   GLN  25          2HB       GLN  25 -18.601  -4.880   3.466
  197   2HB   GLN  25          1HB       GLN  25 -16.941  -5.361   3.814
  198   1HG   GLN  25          2HG       GLN  25 -17.417  -5.247   6.236
  199   2HG   GLN  25          1HG       GLN  25 -19.078  -4.771   5.886
  200   1HE2  GLN  25          1HE2      GLN  25 -18.614  -7.147   7.344
  201   2HE2  GLN  25          2HE2      GLN  25 -19.011  -8.485   6.377
  202    H    GLU  26           HN       GLU  26 -15.001  -2.739   3.631
  203    HA   GLU  26           HA       GLU  26 -15.819  -1.813   0.896
  204   1HB   GLU  26          2HB       GLU  26 -13.814  -0.315   1.133
  205   2HB   GLU  26          1HB       GLU  26 -15.061  -0.007   2.342
  206   1HG   GLU  26          2HG       GLU  26 -13.268  -2.065   3.286
  207   2HG   GLU  26          1HG       GLU  26 -12.346  -0.639   2.810
  208    HA   PRO  27           HA       PRO  27 -13.334  -5.393  -0.242
  209   1HB   PRO  27          2HB       PRO  27 -13.621  -4.544  -2.976
  210   2HB   PRO  27          1HB       PRO  27 -14.445  -5.873  -2.157
  211   1HG   PRO  27          2HG       PRO  27 -15.549  -3.354  -2.987
  212   2HG   PRO  27          1HG       PRO  27 -16.374  -4.682  -2.168
  213   1HD   PRO  27          2HD       PRO  27 -15.628  -2.116  -1.074
  214   2HD   PRO  27          1HD       PRO  27 -16.460  -3.455  -0.249
  215    H    ARG  28           HN       ARG  28 -11.702  -5.199  -2.557
  216    HA   ARG  28           HA       ARG  28  -9.355  -3.942  -1.603
  217   1HB   ARG  28          2HB       ARG  28 -10.296  -4.614  -4.410
  218   2HB   ARG  28          1HB       ARG  28  -8.627  -4.233  -3.992
  219   1HG   ARG  28          2HG       ARG  28  -8.649  -6.126  -2.361
  220   2HG   ARG  28          1HG       ARG  28 -10.274  -6.538  -2.908
  221   1HD   ARG  28          2HD       ARG  28  -9.350  -6.775  -5.248
  222   2HD   ARG  28          1HD       ARG  28  -7.726  -6.567  -4.563
  223    HE   ARG  28           HE       ARG  28  -9.575  -8.705  -3.559
  224   1HH1  ARG  28          1HH1      ARG  28  -7.350  -8.649  -5.918
  225   2HH1  ARG  28          2HH1      ARG  28  -6.177  -9.671  -5.155
  226   1HH2  ARG  28          1HH2      ARG  28  -7.715  -9.567  -2.049
  227   2HH2  ARG  28          2HH2      ARG  28  -6.384 -10.191  -2.966
  228    H    VAL  29           HN       VAL  29  -8.482  -1.873  -1.911
  229    HA   VAL  29           HA       VAL  29 -10.267   0.129  -3.259
  230    HB   VAL  29           HB       VAL  29  -8.318   0.470  -0.957
  231   1HG1  VAL  29          3HG1      VAL  29 -10.066   2.298  -2.535
  232   2HG1  VAL  29          2HG1      VAL  29  -9.991   2.568  -0.794
  233   3HG1  VAL  29          1HG1      VAL  29  -8.516   2.620  -1.759
  234   1HG2  VAL  29          2HG2      VAL  29 -11.181  -0.303  -1.108
  235   2HG2  VAL  29          1HG2      VAL  29  -9.984  -0.658   0.137
  236   3HG2  VAL  29          3HG2      VAL  29 -10.773   0.919   0.097
  237    H    GLY  30           HN       GLY  30  -9.313   1.414  -4.830
  238   1HA   GLY  30          1HA       GLY  30  -7.664   2.253  -6.274
  239   2HA   GLY  30          2HA       GLY  30  -6.881   0.687  -6.064
  240    H    LYS  31           HN       LYS  31  -7.489   2.774  -3.321
  241    HA   LYS  31           HA       LYS  31  -4.909   4.103  -3.324
  242   1HB   LYS  31          2HB       LYS  31  -7.006   3.582  -1.190
  243   2HB   LYS  31          1HB       LYS  31  -5.650   4.694  -0.999
  244   1HG   LYS  31          2HG       LYS  31  -6.448   5.946  -3.009
  245   2HG   LYS  31          1HG       LYS  31  -7.849   4.878  -3.081
  246   1HD   LYS  31          2HD       LYS  31  -8.449   5.579  -0.758
  247   2HD   LYS  31          1HD       LYS  31  -7.108   6.725  -0.792
  248   1HE   LYS  31          2HE       LYS  31  -8.119   7.962  -2.614
  249   2HE   LYS  31          1HE       LYS  31  -9.373   6.724  -2.819
  250   1HZ   LYS  31          3HZ       LYS  31  -8.906   8.129  -0.246
  251   2HZ   LYS  31          2HZ       LYS  31 -10.005   8.706  -1.407
  252   3HZ   LYS  31          1HZ       LYS  31 -10.245   7.185  -0.689
  253    H    LEU  32           HN       LEU  32  -3.158   3.664  -1.798
  254    HA   LEU  32           HA       LEU  32  -2.761   0.769  -1.332
  255   1HB   LEU  32          2HB       LEU  32  -1.054   2.259  -2.385
  256   2HB   LEU  32          1HB       LEU  32  -0.963   3.173  -0.878
  257    HG   LEU  32           HG       LEU  32  -0.422   0.945   0.265
  258   1HD1  LEU  32          3HD1      LEU  32  -0.559   0.154  -2.595
  259   2HD1  LEU  32          2HD1      LEU  32   0.791  -0.507  -1.672
  260   3HD1  LEU  32          1HD1      LEU  32  -0.866  -0.804  -1.146
  261   1HD2  LEU  32          1HD2      LEU  32   1.200   2.836  -0.584
  262   2HD2  LEU  32          3HD2      LEU  32   1.865   1.292  -0.051
  263   3HD2  LEU  32          2HD2      LEU  32   1.678   1.624  -1.774
  264    H    ARG  33           HN       ARG  33  -2.834  -0.163   0.696
  265    HA   ARG  33           HA       ARG  33  -3.942   1.297   2.933
  266   1HB   ARG  33          2HB       ARG  33  -3.608  -0.877   4.073
  267   2HB   ARG  33          1HB       ARG  33  -4.298  -1.109   2.467
  268   1HG   ARG  33          2HG       ARG  33  -1.927  -1.451   1.619
  269   2HG   ARG  33          1HG       ARG  33  -1.412  -1.491   3.305
  270   1HD   ARG  33          2HD       ARG  33  -3.113  -3.348   3.674
  271   2HD   ARG  33          1HD       ARG  33  -3.315  -3.402   1.913
  272    HE   ARG  33           HE       ARG  33  -0.645  -3.755   3.239
  273   1HH1  ARG  33          1HH1      ARG  33  -2.373  -6.165   2.501
  274   2HH1  ARG  33          2HH1      ARG  33  -1.690  -6.605   0.971
  275   1HH2  ARG  33          1HH2      ARG  33  -0.030  -3.591   0.546
  276   2HH2  ARG  33          2HH2      ARG  33  -0.363  -5.147  -0.136
  277    H    ASN  34           HN       ASN  34  -1.931   2.933   2.553
  278    HA   ASN  34           HA       ASN  34   0.119   2.178   4.606
  279   1HB   ASN  34          2HB       ASN  34   1.839   3.009   3.177
  280   2HB   ASN  34          1HB       ASN  34   0.810   2.033   2.130
  281   1HD2  ASN  34          1HD2      ASN  34   2.405   4.108   1.017
  282   2HD2  ASN  34          2HD2      ASN  34   1.387   5.355   0.476
  283    H    PHE  35           HN       PHE  35  -2.410   4.107   4.123
  284    HA   PHE  35           HA       PHE  35  -1.119   6.647   5.010
  285   1HB   PHE  35          2HB       PHE  35  -3.930   5.950   4.100
  286   2HB   PHE  35          1HB       PHE  35  -3.354   7.579   4.451
  287    HD1  PHE  35           HD1      PHE  35  -1.427   8.521   3.094
  288    HD2  PHE  35           HD2      PHE  35  -3.490   4.914   2.008
  289    HE1  PHE  35           HE1      PHE  35  -0.523   8.699   0.791
  290    HE2  PHE  35           HE2      PHE  35  -2.587   5.091  -0.295
  291    HZ   PHE  35           HZ       PHE  35  -1.104   6.984  -0.903
  292    H    ALA  36           HN       ALA  36  -2.123   3.947   6.510
  293    HA   ALA  36           HA       ALA  36  -4.053   4.751   8.444
  294   1HB   ALA  36          1HB       ALA  36  -3.744   2.550   8.841
  295   2HB   ALA  36          3HB       ALA  36  -2.278   2.565   7.860
  296   3HB   ALA  36          2HB       ALA  36  -2.189   2.924   9.584
  297    HA   PRO  37           HA       PRO  37  -1.839   7.598  10.986
  298   1HB   PRO  37          2HB       PRO  37  -3.198   6.679  13.349
  299   2HB   PRO  37          1HB       PRO  37  -3.551   8.112  12.381
  300   1HG   PRO  37          2HG       PRO  37  -5.090   5.703  12.570
  301   2HG   PRO  37          1HG       PRO  37  -5.419   7.119  11.568
  302   1HD   PRO  37          2HD       PRO  37  -4.491   4.504  10.725
  303   2HD   PRO  37          1HD       PRO  37  -4.893   5.908   9.709
  304    H    ILE  38           HN       ILE  38  -1.424   6.976  13.823
  305    HA   ILE  38           HA       ILE  38   0.746   4.934  13.532
  306    HB   ILE  38           HB       ILE  38   0.412   7.009  15.708
  307   1HG1  ILE  38          2HG1      ILE  38   2.280   7.935  13.806
  308   2HG1  ILE  38          1HG1      ILE  38   0.858   7.449  12.883
  309   1HG2  ILE  38          1HG2      ILE  38   2.694   5.395  14.560
  310   2HG2  ILE  38          3HG2      ILE  38   2.977   6.831  15.542
  311   3HG2  ILE  38          2HG2      ILE  38   2.125   5.448  16.229
  312   1HD1  ILE  38          3HD1      ILE  38  -0.311   8.743  14.982
  313   2HD1  ILE  38          2HD1      ILE  38   1.187   9.659  14.823
  314   3HD1  ILE  38          1HD1      ILE  38   0.089   9.521  13.450
  315    HA   PRO  39           HA       PRO  39  -1.631   2.229  16.118
  316   1HB   PRO  39          2HB       PRO  39   0.785   0.985  17.063
  317   2HB   PRO  39          1HB       PRO  39  -0.341   0.389  15.842
  318   1HG   PRO  39          2HG       PRO  39   2.306   1.431  15.442
  319   2HG   PRO  39          1HG       PRO  39   1.180   0.835  14.221
  320   1HD   PRO  39          2HD       PRO  39   1.967   3.567  14.718
  321   2HD   PRO  39          1HD       PRO  39   0.829   2.966  13.490
  322    H    GLY  40           HN       GLY  40  -2.176   2.159  18.336
  323   1HA   GLY  40          1HA       GLY  40  -0.775   4.121  20.050
  324   2HA   GLY  40          2HA       GLY  40  -0.853   2.464  20.643
  325    H    GLU  41           HN       GLU  41  -3.481   1.887  19.600
  326    HA   GLU  41           HA       GLU  41  -5.102   3.505  21.525
  327   1HB   GLU  41          2HB       GLU  41  -5.123   3.768  18.746
  328   2HB   GLU  41          1HB       GLU  41  -6.521   2.746  19.083
  329   1HG   GLU  41          2HG       GLU  41  -7.290   4.396  20.777
  330   2HG   GLU  41          1HG       GLU  41  -5.921   5.430  20.367
  331    HA   PRO  42           HA       PRO  42  -5.579  -1.191  21.746
  332   1HB   PRO  42          2HB       PRO  42  -5.269  -0.888  24.590
  333   2HB   PRO  42          1HB       PRO  42  -4.189  -1.705  23.459
  334   1HG   PRO  42          2HG       PRO  42  -3.763   0.793  24.810
  335   2HG   PRO  42          1HG       PRO  42  -2.688  -0.020  23.671
  336   1HD   PRO  42          2HD       PRO  42  -4.253   2.373  23.240
  337   2HD   PRO  42          1HD       PRO  42  -3.155   1.565  22.098
  338    H    VAL  43           HN       VAL  43  -7.824  -1.124  21.349
  339    HA   VAL  43           HA       VAL  43  -9.545  -0.430  23.703
  340    HB   VAL  43           HB       VAL  43  -9.484   1.380  21.986
  341   1HG1  VAL  43          2HG1      VAL  43  -9.035  -0.176  20.064
  342   2HG1  VAL  43          1HG1      VAL  43 -10.712  -0.710  20.164
  343   3HG1  VAL  43          3HG1      VAL  43 -10.343   0.964  19.752
  344   1HG2  VAL  43          1HG2      VAL  43 -11.881  -0.126  22.799
  345   2HG2  VAL  43          3HG2      VAL  43 -11.552   1.603  22.901
  346   3HG2  VAL  43          2HG2      VAL  43 -12.127   0.901  21.388
  347    H    VAL  44           HN       VAL  44 -10.882  -2.133  24.201
  348    HA   VAL  44           HA       VAL  44 -11.946  -3.865  22.052
  349    HB   VAL  44           HB       VAL  44  -9.961  -4.700  24.174
  350   1HG1  VAL  44          2HG1      VAL  44 -12.040  -6.334  22.729
  351   2HG1  VAL  44          1HG1      VAL  44 -10.501  -7.060  23.198
  352   3HG1  VAL  44          3HG1      VAL  44 -11.573  -6.392  24.429
  353   1HG2  VAL  44          1HG2      VAL  44 -10.087  -4.565  21.205
  354   2HG2  VAL  44          3HG2      VAL  44  -8.711  -4.334  22.284
  355   3HG2  VAL  44          2HG2      VAL  44  -9.261  -5.963  21.893
  356    HA   PRO  45           HA       PRO  45 -14.881  -3.045  25.542
  357   1HB   PRO  45          2HB       PRO  45 -16.937  -3.334  23.548
  358   2HB   PRO  45          1HB       PRO  45 -16.437  -1.864  24.386
  359   1HG   PRO  45          2HG       PRO  45 -15.977  -2.575  21.641
  360   2HG   PRO  45          1HG       PRO  45 -15.473  -1.105  22.480
  361   1HD   PRO  45          2HD       PRO  45 -13.816  -3.303  21.603
  362   2HD   PRO  45          1HD       PRO  45 -13.308  -1.819  22.442
  363    H    ILE  46           HN       ILE  46 -17.413  -4.473  24.918
  364    HA   ILE  46           HA       ILE  46 -16.902  -7.036  25.984
  365    HB   ILE  46           HB       ILE  46 -19.074  -6.085  24.081
  366   1HG1  ILE  46          2HG1      ILE  46 -18.991  -6.201  27.112
  367   2HG1  ILE  46          1HG1      ILE  46 -18.814  -4.732  26.152
  368   1HG2  ILE  46          3HG2      ILE  46 -18.796  -8.526  25.836
  369   2HG2  ILE  46          2HG2      ILE  46 -20.381  -7.906  25.373
  370   3HG2  ILE  46          1HG2      ILE  46 -19.249  -8.447  24.133
  371   1HD1  ILE  46          2HD1      ILE  46 -21.194  -6.438  25.591
  372   2HD1  ILE  46          1HD1      ILE  46 -21.194  -5.535  27.106
  373   3HD1  ILE  46          3HD1      ILE  46 -21.041  -4.682  25.570
  374    H    LEU  47           HN       LEU  47 -17.412  -6.134  22.565
  375    HA   LEU  47           HA       LEU  47 -16.053  -8.679  21.754
  376   1HB   LEU  47          2HB       LEU  47 -17.964  -6.836  20.273
  377   2HB   LEU  47          1HB       LEU  47 -17.328  -8.361  19.654
  378    HG   LEU  47           HG       LEU  47 -19.125  -7.979  22.066
  379   1HD1  LEU  47          3HD1      LEU  47 -19.539  -8.622  19.261
  380   2HD1  LEU  47          2HD1      LEU  47 -20.130  -9.916  20.303
  381   3HD1  LEU  47          1HD1      LEU  47 -20.733  -8.271  20.511
  382   1HD2  LEU  47          2HD2      LEU  47 -17.532 -10.346  21.085
  383   2HD2  LEU  47          1HD2      LEU  47 -17.663  -9.711  22.726
  384   3HD2  LEU  47          3HD2      LEU  47 -19.021 -10.573  22.003
  385    H    CYS  48           HN       CYS  48 -16.608  -5.585  20.074
  386    HA   CYS  48           HA       CYS  48 -13.684  -5.054  20.010
  387   1HB   CYS  48          2HB       CYS  48 -15.460  -5.904  17.758
  388   2HB   CYS  48          1HB       CYS  48 -14.221  -4.698  17.408
  389    H    SER  49           HN       SER  49 -13.235  -2.824  19.615
  390    HA   SER  49           HA       SER  49 -15.176  -0.915  20.429
  391   1HB   SER  49          2HB       SER  49 -12.669  -0.731  20.457
  392   2HB   SER  49          1HB       SER  49 -12.715  -0.501  18.710
  393    HG   SER  49           HG       SER  49 -14.203   1.277  19.187
  394    H    ASN  50           HN       ASN  50 -13.934  -1.587  17.146
  395    HA   ASN  50           HA       ASN  50 -15.884   0.192  15.893
  396   1HB   ASN  50          2HB       ASN  50 -13.677  -1.668  15.092
  397   2HB   ASN  50          1HB       ASN  50 -14.828  -1.159  13.856
  398   1HD2  ASN  50          1HD2      ASN  50 -15.097   1.271  13.596
  399   2HD2  ASN  50          2HD2      ASN  50 -13.775   2.275  13.947
  400    HA   PRO  51           HA       PRO  51 -19.098  -2.953  16.051
  401   1HB   PRO  51          2HB       PRO  51 -20.630  -1.273  14.286
  402   2HB   PRO  51          1HB       PRO  51 -20.853  -1.518  16.019
  403   1HG   PRO  51          2HG       PRO  51 -19.827   0.810  14.677
  404   2HG   PRO  51          1HG       PRO  51 -20.070   0.572  16.410
  405   1HD   PRO  51          2HD       PRO  51 -17.570   0.686  14.982
  406   2HD   PRO  51          1HD       PRO  51 -17.817   0.405  16.721
  407    H    ASN  52           HN       ASN  52 -17.285  -1.759  13.413
  408    HA   ASN  52           HA       ASN  52 -18.157  -4.073  11.734
  409   1HB   ASN  52          2HB       ASN  52 -17.827  -1.166  10.926
  410   2HB   ASN  52          1HB       ASN  52 -18.060  -2.486   9.780
  411   1HD2  ASN  52          1HD2      ASN  52 -19.924  -0.218  10.295
  412   2HD2  ASN  52          2HD2      ASN  52 -21.381  -0.917  10.813
  413    H    PHE  53           HN       PHE  53 -15.853  -3.912  13.397
  414    HA   PHE  53           HA       PHE  53 -13.530  -3.095  11.812
  415   1HB   PHE  53          2HB       PHE  53 -12.420  -3.497  13.813
  416   2HB   PHE  53          1HB       PHE  53 -14.058  -3.323  14.436
  417    HD1  PHE  53           HD1      PHE  53 -15.490  -5.636  14.133
  418    HD2  PHE  53           HD2      PHE  53 -11.234  -5.334  14.635
  419    HE1  PHE  53           HE1      PHE  53 -15.424  -7.964  14.980
  420    HE2  PHE  53           HE2      PHE  53 -11.168  -7.668  15.482
  421    HZ   PHE  53           HZ       PHE  53 -13.265  -8.977  15.651
  422    HA   PRO  54           HA       PRO  54 -12.383  -6.873   9.844
  423   1HB   PRO  54          2HB       PRO  54 -10.219  -7.684  11.568
  424   2HB   PRO  54          1HB       PRO  54 -10.113  -6.920   9.984
  425   1HG   PRO  54          2HG       PRO  54  -9.564  -5.761  12.558
  426   2HG   PRO  54          1HG       PRO  54  -9.447  -4.989  10.975
  427   1HD   PRO  54          2HD       PRO  54 -11.399  -4.503  13.020
  428   2HD   PRO  54          1HD       PRO  54 -11.328  -3.772  11.402
  429    H    GLU  55           HN       GLU  55 -14.501  -7.581  10.986
  430    HA   GLU  55           HA       GLU  55 -14.849  -8.993  13.309
  431   1HB   GLU  55          2HB       GLU  55 -16.613 -10.157  12.131
  432   2HB   GLU  55          1HB       GLU  55 -16.472  -8.543  11.428
  433   1HG   GLU  55          2HG       GLU  55 -15.013  -9.503   9.638
  434   2HG   GLU  55          1HG       GLU  55 -15.288 -11.109  10.313
  435    H    GLU  56           HN       GLU  56 -13.196 -10.206  10.403
  436    HA   GLU  56           HA       GLU  56 -12.877 -12.922  11.107
  437   1HB   GLU  56          2HB       GLU  56 -10.979 -10.978   9.745
  438   2HB   GLU  56          1HB       GLU  56 -10.849 -12.735   9.656
  439   1HG   GLU  56          2HG       GLU  56 -13.131 -12.824   8.665
  440   2HG   GLU  56          1HG       GLU  56 -13.193 -11.062   8.698
  441    H    LEU  57           HN       LEU  57 -11.596 -10.088  12.585
  442    HA   LEU  57           HA       LEU  57  -9.433 -11.557  14.002
  443   1HB   LEU  57          2HB       LEU  57 -10.280  -8.675  13.647
  444   2HB   LEU  57          1HB       LEU  57  -9.045  -9.133  14.820
  445    HG   LEU  57           HG       LEU  57  -7.832 -10.306  12.954
  446   1HD1  LEU  57          1HD1      LEU  57 -10.245  -9.465  11.539
  447   2HD1  LEU  57          3HD1      LEU  57  -8.770  -8.985  10.704
  448   3HD1  LEU  57          2HD1      LEU  57  -9.051 -10.681  11.092
  449   1HD2  LEU  57          1HD2      LEU  57  -7.335  -7.949  13.752
  450   2HD2  LEU  57          3HD2      LEU  57  -6.832  -8.289  12.096
  451   3HD2  LEU  57          2HD2      LEU  57  -8.304  -7.368  12.397
  452    H    LYS  58           HN       LYS  58 -12.624 -11.340  14.370
  453    HA   LYS  58           HA       LYS  58 -13.430 -10.309  16.775
  454   1HB   LYS  58          2HB       LYS  58 -14.201 -12.372  14.994
  455   2HB   LYS  58          1HB       LYS  58 -14.282 -13.058  16.618
  456   1HG   LYS  58          2HG       LYS  58 -15.987 -11.675  17.258
  457   2HG   LYS  58          1HG       LYS  58 -15.358 -10.311  16.334
  458   1HD   LYS  58          2HD       LYS  58 -16.052 -11.774  14.256
  459   2HD   LYS  58          1HD       LYS  58 -17.113 -12.569  15.420
  460   1HE   LYS  58          2HE       LYS  58 -17.651  -9.988  16.036
  461   2HE   LYS  58          1HE       LYS  58 -17.252  -9.807  14.317
  462   1HZ   LYS  58          1HZ       LYS  58 -18.681 -11.978  14.142
  463   2HZ   LYS  58          3HZ       LYS  58 -19.370 -11.408  15.583
  464   3HZ   LYS  58          2HZ       LYS  58 -19.437 -10.456  14.177
  465    HA   PRO  59           HA       PRO  59 -11.637 -14.202  19.133
  466   1HB   PRO  59          2HB       PRO  59  -9.292 -14.929  17.623
  467   2HB   PRO  59          1HB       PRO  59 -10.702 -15.925  17.996
  468   1HG   PRO  59          2HG       PRO  59  -9.979 -14.691  15.473
  469   2HG   PRO  59          1HG       PRO  59 -11.308 -15.803  15.811
  470   1HD   PRO  59          2HD       PRO  59 -11.521 -13.034  15.222
  471   2HD   PRO  59          1HD       PRO  59 -12.827 -14.092  15.797
  472    H    LEU  60           HN       LEU  60  -9.397 -12.178  17.182
  473    HA   LEU  60           HA       LEU  60  -7.384 -11.814  19.139
  474   1HB   LEU  60          2HB       LEU  60  -8.479  -9.944  17.011
  475   2HB   LEU  60          1HB       LEU  60  -6.920  -9.750  17.811
  476    HG   LEU  60           HG       LEU  60  -7.805 -11.958  15.945
  477   1HD1  LEU  60          3HD1      LEU  60  -5.783  -9.759  15.967
  478   2HD1  LEU  60          2HD1      LEU  60  -5.338 -11.266  15.164
  479   3HD1  LEU  60          1HD1      LEU  60  -6.762 -10.371  14.633
  480   1HD2  LEU  60          2HD2      LEU  60  -5.418 -11.919  17.818
  481   2HD2  LEU  60          1HD2      LEU  60  -6.769 -13.051  17.871
  482   3HD2  LEU  60          3HD2      LEU  60  -5.648 -13.080  16.510
  483    H    CYS  61           HN       CYS  61 -10.429 -10.009  18.603
  484    HA   CYS  61           HA       CYS  61  -9.945  -8.048  20.664
  485   1HB   CYS  61          2HB       CYS  61 -12.599  -9.059  19.612
  486   2HB   CYS  61          1HB       CYS  61 -12.225  -7.447  20.217
  487    H    LYS  62           HN       LYS  62 -11.273 -11.310  20.660
  488    HA   LYS  62           HA       LYS  62 -12.326 -11.055  23.408
  489   1HB   LYS  62          2HB       LYS  62 -13.432 -12.361  21.582
  490   2HB   LYS  62          1HB       LYS  62 -12.041 -13.446  21.558
  491   1HG   LYS  62          2HG       LYS  62 -12.444 -14.033  23.913
  492   2HG   LYS  62          1HG       LYS  62 -13.813 -12.923  23.967
  493   1HD   LYS  62          2HD       LYS  62 -14.674 -15.159  23.601
  494   2HD   LYS  62          1HD       LYS  62 -14.866 -14.248  22.104
  495   1HE   LYS  62          2HE       LYS  62 -12.379 -15.285  21.710
  496   2HE   LYS  62          1HE       LYS  62 -13.114 -16.573  22.680
  497   1HZ   LYS  62          3HZ       LYS  62 -14.516 -15.279  20.407
  498   2HZ   LYS  62          2HZ       LYS  62 -13.556 -16.666  20.205
  499   3HZ   LYS  62          1HZ       LYS  62 -14.931 -16.717  21.202
  500    H    GLU  63           HN       GLU  63  -9.291 -11.258  22.261
  501    HA   GLU  63           HA       GLU  63  -8.393 -13.217  24.343
  502   1HB   GLU  63          2HB       GLU  63  -6.744 -13.855  22.867
  503   2HB   GLU  63          1HB       GLU  63  -7.914 -13.254  21.697
  504   1HG   GLU  63          2HG       GLU  63  -6.784 -11.113  21.579
  505   2HG   GLU  63          1HG       GLU  63  -5.701 -11.565  22.891
  506    HA   PRO  64           HA       PRO  64  -6.797  -9.918  26.763
  507   1HB   PRO  64          2HB       PRO  64  -4.518 -11.478  27.570
  508   2HB   PRO  64          1HB       PRO  64  -6.001 -11.163  28.475
  509   1HG   PRO  64          2HG       PRO  64  -5.175 -13.618  27.222
  510   2HG   PRO  64          1HG       PRO  64  -6.647 -13.311  28.148
  511   1HD   PRO  64          2HD       PRO  64  -6.405 -13.714  25.306
  512   2HD   PRO  64          1HD       PRO  64  -7.883 -13.361  26.231
  513    H    ASN  65           HN       ASN  65  -4.821 -11.547  24.366
  514    HA   ASN  65           HA       ASN  65  -2.642  -9.583  24.489
  515   1HB   ASN  65          2HB       ASN  65  -3.351 -11.769  22.509
  516   2HB   ASN  65          1HB       ASN  65  -1.805 -10.927  22.587
  517   1HD2  ASN  65          1HD2      ASN  65  -2.676 -13.863  23.195
  518   2HD2  ASN  65          2HD2      ASN  65  -1.984 -14.169  24.714
  519    H    ALA  66           HN       ALA  66  -5.761  -9.524  23.178
  520    HA   ALA  66           HA       ALA  66  -5.517  -8.422  20.610
  521   1HB   ALA  66          2HB       ALA  66  -7.511  -8.898  22.385
  522   2HB   ALA  66          3HB       ALA  66  -7.735  -7.924  20.933
  523   3HB   ALA  66          1HB       ALA  66  -7.434  -7.138  22.483
  524    H    GLN  67           HN       GLN  67  -5.154  -6.798  23.761
  525    HA   GLN  67           HA       GLN  67  -4.965  -4.115  22.916
  526   1HB   GLN  67          2HB       GLN  67  -4.974  -5.108  25.256
  527   2HB   GLN  67          1HB       GLN  67  -3.265  -5.477  25.025
  528   1HG   GLN  67          2HG       GLN  67  -2.897  -3.032  24.502
  529   2HG   GLN  67          1HG       GLN  67  -4.567  -2.741  24.991
  530   1HE2  GLN  67          1HE2      GLN  67  -1.397  -2.839  26.169
  531   2HE2  GLN  67          2HE2      GLN  67  -1.746  -3.006  27.822
  532    H    GLU  68           HN       GLU  68  -2.399  -6.603  23.075
  533    HA   GLU  68           HA       GLU  68  -0.368  -4.802  21.981
  534   1HB   GLU  68          2HB       GLU  68  -0.493  -7.800  22.453
  535   2HB   GLU  68          1HB       GLU  68   0.972  -6.913  22.034
  536   1HG   GLU  68          2HG       GLU  68   0.691  -5.525  24.075
  537   2HG   GLU  68          1HG       GLU  68  -0.738  -6.467  24.500
  538    H    ILE  69           HN       ILE  69  -2.478  -7.380  20.754
  539    HA   ILE  69           HA       ILE  69  -1.262  -7.613  18.151
  540    HB   ILE  69           HB       ILE  69  -4.063  -8.153  19.191
  541   1HG1  ILE  69          2HG1      ILE  69  -1.736 -10.036  18.706
  542   2HG1  ILE  69          1HG1      ILE  69  -2.166  -9.382  20.287
  543   1HG2  ILE  69          2HG2      ILE  69  -2.891  -8.332  16.517
  544   2HG2  ILE  69          1HG2      ILE  69  -3.524  -9.881  17.077
  545   3HG2  ILE  69          3HG2      ILE  69  -4.579  -8.469  17.011
  546   1HD1  ILE  69          3HD1      ILE  69  -4.413 -10.594  18.796
  547   2HD1  ILE  69          2HD1      ILE  69  -3.151 -11.728  19.279
  548   3HD1  ILE  69          1HD1      ILE  69  -3.974 -10.752  20.496
  549    H    LEU  70           HN       LEU  70  -4.223  -5.898  19.225
  550    HA   LEU  70           HA       LEU  70  -5.051  -4.677  16.889
  551   1HB   LEU  70          2HB       LEU  70  -6.152  -4.418  19.049
  552   2HB   LEU  70          1HB       LEU  70  -4.774  -3.520  19.683
  553    HG   LEU  70           HG       LEU  70  -6.925  -2.262  18.734
  554   1HD1  LEU  70          1HD1      LEU  70  -4.663  -1.372  19.611
  555   2HD1  LEU  70          3HD1      LEU  70  -4.203  -1.250  17.913
  556   3HD1  LEU  70          2HD1      LEU  70  -5.578  -0.329  18.523
  557   1HD2  LEU  70          2HD2      LEU  70  -6.534  -3.485  16.489
  558   2HD2  LEU  70          1HD2      LEU  70  -6.834  -1.748  16.424
  559   3HD2  LEU  70          3HD2      LEU  70  -5.190  -2.366  16.266
  560    H    GLN  71           HN       GLN  71  -2.677  -3.165  19.137
  561    HA   GLN  71           HA       GLN  71  -1.917  -0.991  17.527
  562   1HB   GLN  71          2HB       GLN  71  -0.283  -2.752  19.385
  563   2HB   GLN  71          1HB       GLN  71   0.214  -1.151  18.837
  564   1HG   GLN  71          2HG       GLN  71  -1.910  -0.230  19.812
  565   2HG   GLN  71          1HG       GLN  71  -2.242  -1.827  20.481
  566   1HE2  GLN  71          1HE2      GLN  71   1.038  -1.710  20.603
  567   2HE2  GLN  71          2HE2      GLN  71   1.259  -1.019  22.136
  568    H    ARG  72           HN       ARG  72  -0.287  -4.184  17.693
  569    HA   ARG  72           HA       ARG  72   1.622  -3.849  15.677
  570   1HB   ARG  72          2HB       ARG  72   1.236  -5.810  17.222
  571   2HB   ARG  72          1HB       ARG  72  -0.086  -6.310  16.167
  572   1HG   ARG  72          2HG       ARG  72   1.497  -6.444  14.265
  573   2HG   ARG  72          1HG       ARG  72   2.814  -5.976  15.339
  574   1HD   ARG  72          2HD       ARG  72   1.082  -8.455  15.679
  575   2HD   ARG  72          1HD       ARG  72   2.750  -8.438  15.072
  576    HE   ARG  72           HE       ARG  72   2.088  -8.372  17.818
  577   1HH1  ARG  72          1HH1      ARG  72   4.764  -8.048  16.044
  578   2HH1  ARG  72          2HH1      ARG  72   5.509  -6.782  16.962
  579   1HH2  ARG  72          1HH2      ARG  72   2.653  -6.069  18.796
  580   2HH2  ARG  72          2HH2      ARG  72   4.314  -5.661  18.520
  581    H    LEU  73           HN       LEU  73  -1.659  -5.225  15.218
  582    HA   LEU  73           HA       LEU  73  -1.700  -5.482  12.441
  583   1HB   LEU  73          2HB       LEU  73  -3.852  -4.491  14.340
  584   2HB   LEU  73          1HB       LEU  73  -4.159  -5.118  12.720
  585    HG   LEU  73           HG       LEU  73  -2.918  -6.626  15.041
  586   1HD1  LEU  73          1HD1      LEU  73  -5.593  -6.577  13.696
  587   2HD1  LEU  73          3HD1      LEU  73  -4.993  -8.117  14.311
  588   3HD1  LEU  73          2HD1      LEU  73  -5.205  -6.752  15.408
  589   1HD2  LEU  73          1HD2      LEU  73  -2.852  -7.056  12.127
  590   2HD2  LEU  73          3HD2      LEU  73  -1.842  -7.758  13.391
  591   3HD2  LEU  73          2HD2      LEU  73  -3.426  -8.450  13.044
  592    H    GLU  74           HN       GLU  74  -2.492  -2.554  14.340
  593    HA   GLU  74           HA       GLU  74  -3.155  -0.818  12.218
  594   1HB   GLU  74          2HB       GLU  74  -1.707  -0.331  14.841
  595   2HB   GLU  74          1HB       GLU  74  -2.428   0.941  13.855
  596   1HG   GLU  74          2HG       GLU  74  -3.907  -1.408  15.080
  597   2HG   GLU  74          1HG       GLU  74  -3.978   0.263  15.639
  598    H    GLU  75           HN       GLU  75   0.076  -1.484  13.644
  599    HA   GLU  75           HA       GLU  75   1.559   0.329  12.023
  600   1HB   GLU  75          2HB       GLU  75   2.280  -0.864  14.108
  601   2HB   GLU  75          1HB       GLU  75   2.375  -2.358  13.176
  602   1HG   GLU  75          2HG       GLU  75   4.016  -1.261  11.651
  603   2HG   GLU  75          1HG       GLU  75   3.966   0.176  12.673
  604    H    ILE  76           HN       ILE  76   1.122  -3.217  11.602
  605    HA   ILE  76           HA       ILE  76   2.418  -3.392   9.070
  606    HB   ILE  76           HB       ILE  76   0.166  -4.999  10.322
  607   1HG1  ILE  76          2HG1      ILE  76   3.185  -5.198  10.376
  608   2HG1  ILE  76          1HG1      ILE  76   2.088  -5.038  11.747
  609   1HG2  ILE  76          3HG2      ILE  76   0.406  -5.331   7.847
  610   2HG2  ILE  76          2HG2      ILE  76   2.090  -5.786   8.112
  611   3HG2  ILE  76          1HG2      ILE  76   0.793  -6.777   8.780
  612   1HD1  ILE  76          2HD1      ILE  76   1.069  -7.281  10.850
  613   2HD1  ILE  76          1HD1      ILE  76   2.613  -7.438  10.013
  614   3HD1  ILE  76          3HD1      ILE  76   2.571  -7.330  11.773
  615    H    ALA  77           HN       ALA  77  -0.870  -2.490   9.972
  616    HA   ALA  77           HA       ALA  77  -2.080  -2.643   7.373
  617   1HB   ALA  77          1HB       ALA  77  -3.433  -2.460   9.343
  618   2HB   ALA  77          3HB       ALA  77  -2.572  -1.018   9.882
  619   3HB   ALA  77          2HB       ALA  77  -3.644  -0.934   8.483
  620    H    GLU  78           HN       GLU  78  -0.109  -0.211   8.991
  621    HA   GLU  78           HA       GLU  78  -0.470   1.740   6.785
  622   1HB   GLU  78          2HB       GLU  78  -0.455   2.317   9.245
  623   2HB   GLU  78          1HB       GLU  78   1.240   1.829   9.290
  624   1HG   GLU  78          2HG       GLU  78   1.696   3.506   7.469
  625   2HG   GLU  78          1HG       GLU  78   0.033   4.066   7.637
  626    H    ASP  79           HN       ASP  79   1.139  -0.991   6.856
  627    HA   ASP  79           HA       ASP  79   3.165  -0.237   4.966
  628   1HB   ASP  79          2HB       ASP  79   4.047   0.778   7.092
  629   2HB   ASP  79          1HB       ASP  79   4.127  -0.845   7.777
  630    HA   PRO  80           HA       PRO  80   2.408  -4.624   4.507
  631   1HB   PRO  80          2HB       PRO  80   4.488  -4.685   2.524
  632   2HB   PRO  80          1HB       PRO  80   2.741  -4.696   2.270
  633   1HG   PRO  80          2HG       PRO  80   4.585  -2.555   1.752
  634   2HG   PRO  80          1HG       PRO  80   2.838  -2.569   1.498
  635   1HD   PRO  80          2HD       PRO  80   4.324  -1.148   3.525
  636   2HD   PRO  80          1HD       PRO  80   2.564  -1.158   3.266
  637    H    GLY  81           HN       GLY  81   5.855  -3.715   4.021
  638   1HA   GLY  81          1HA       GLY  81   6.630  -5.223   6.418
  639   2HA   GLY  81          2HA       GLY  81   7.721  -4.343   5.348
  640    H    THR  82           HN       THR  82   7.590  -7.249   6.406
  641    HA   THR  82           HA       THR  82   8.567  -8.485   3.940
  642    HB   THR  82           HB       THR  82   9.050 -10.348   5.484
  643    HG1  THR  82          1HG       THR  82   8.407  -9.711   7.777
  644   1HG2  THR  82          1HG2      THR  82  10.157  -7.851   5.561
  645   2HG2  THR  82          3HG2      THR  82   9.686  -8.067   7.245
  646   3HG2  THR  82          2HG2      THR  82  10.765  -9.231   6.476
  647    H    CYS  83           HN       CYS  83   5.573  -8.393   5.714
  648    HA   CYS  83           HA       CYS  83   4.360 -10.839   4.990
  649   1HB   CYS  83          2HB       CYS  83   3.569  -8.865   6.471
  650   2HB   CYS  83          1HB       CYS  83   2.941  -8.172   4.976
  651    H    GLU  84           HN       GLU  84   4.178  -7.727   3.222
  652    HA   GLU  84           HA       GLU  84   2.760  -8.656   0.956
  653   1HB   GLU  84          2HB       GLU  84   3.274  -6.299   1.645
  654   2HB   GLU  84          1HB       GLU  84   4.932  -6.544   1.098
  655   1HG   GLU  84          2HG       GLU  84   4.072  -7.091  -1.173
  656   2HG   GLU  84          1HG       GLU  84   2.433  -6.760  -0.611
  657    H    ILE  85           HN       ILE  85   6.227  -8.882   1.720
  658    HA   ILE  85           HA       ILE  85   6.752 -10.000  -0.991
  659    HB   ILE  85           HB       ILE  85   9.063  -9.580  -0.435
  660   1HG1  ILE  85          2HG1      ILE  85   8.006  -9.300   2.385
  661   2HG1  ILE  85          1HG1      ILE  85   9.201 -10.453   1.793
  662   1HG2  ILE  85          3HG2      ILE  85   7.035  -7.584  -0.242
  663   2HG2  ILE  85          2HG2      ILE  85   8.278  -7.193   0.947
  664   3HG2  ILE  85          1HG2      ILE  85   8.711  -7.379  -0.753
  665   1HD1  ILE  85          2HD1      ILE  85  10.427  -8.159   1.083
  666   2HD1  ILE  85          1HD1      ILE  85   9.512  -7.569   2.471
  667   3HD1  ILE  85          3HD1      ILE  85  10.653  -8.899   2.669
  668    H    CYS  86           HN       CYS  86   5.464 -11.298   1.616
  669    HA   CYS  86           HA       CYS  86   5.509 -13.436   2.631
  670   1HB   CYS  86          2HB       CYS  86   6.890 -14.109   0.017
  671   2HB   CYS  86          1HB       CYS  86   5.916 -15.193   1.009
  672    H    ALA  87           HN       ALA  87   8.031 -11.603   2.715
  673    HA   ALA  87           HA       ALA  87  10.379 -13.216   2.738
  674   1HB   ALA  87          2HB       ALA  87  10.713 -11.273   4.692
  675   2HB   ALA  87          3HB       ALA  87   9.439 -10.599   3.676
  676   3HB   ALA  87          1HB       ALA  87  10.993 -11.039   2.967
  677    H    TYR  88           HN       TYR  88   7.648 -13.283   4.799
  678    HA   TYR  88           HA       TYR  88   8.989 -15.226   6.582
  679   1HB   TYR  88          2HB       TYR  88   7.939 -12.512   7.400
  680   2HB   TYR  88          1HB       TYR  88   8.101 -13.827   8.564
  681    HD1  TYR  88           HD1      TYR  88  10.439 -15.080   8.517
  682    HD2  TYR  88           HD2      TYR  88   9.765 -11.106   7.037
  683    HE1  TYR  88           HE1      TYR  88  12.861 -14.591   8.730
  684    HE2  TYR  88           HE2      TYR  88  12.186 -10.615   7.250
  685    HH   TYR  88           HH       TYR  88  14.211 -12.113   9.046
  686    H    ALA  89           HN       ALA  89   7.156 -15.766   8.397
  687    HA   ALA  89           HA       ALA  89   4.879 -16.803   6.909
  688   1HB   ALA  89          1HB       ALA  89   6.222 -17.674   8.999
  689   2HB   ALA  89          3HB       ALA  89   5.091 -16.669   9.906
  690   3HB   ALA  89          2HB       ALA  89   4.489 -17.985   8.896
  691    H    ALA  90           HN       ALA  90   5.492 -13.735   7.984
  692    HA   ALA  90           HA       ALA  90   3.182 -12.906   9.398
  693   1HB   ALA  90          3HB       ALA  90   4.277 -11.092   7.326
  694   2HB   ALA  90          1HB       ALA  90   5.469 -11.783   8.427
  695   3HB   ALA  90          2HB       ALA  90   4.120 -10.845   9.065
  696    H    CYS  91           HN       CYS  91   3.687 -13.366   5.905
  697    HA   CYS  91           HA       CYS  91   0.804 -12.670   5.463
  698   1HB   CYS  91          2HB       CYS  91   3.309 -12.046   4.156
  699   2HB   CYS  91          1HB       CYS  91   2.209 -12.829   3.023
  700    H    THR  92           HN       THR  92  -0.527 -14.334   4.877
  701    HA   THR  92           HA       THR  92   0.729 -16.933   4.082
  702    HB   THR  92           HB       THR  92  -1.267 -17.921   5.008
  703    HG1  THR  92          1HG       THR  92  -2.262 -15.282   5.277
  704   1HG2  THR  92          2HG2      THR  92  -0.293 -15.579   6.659
  705   2HG2  THR  92          1HG2      THR  92  -1.323 -16.861   7.294
  706   3HG2  THR  92          3HG2      THR  92   0.297 -17.240   6.712
  707    H    GLY  93           HN       GLY  93  -0.317 -18.132   2.326
  708   1HA   GLY  93          1HA       GLY  93  -2.118 -16.530   0.580
  709   2HA   GLY  93          2HA       GLY  93  -1.884 -18.275   0.471
  710    H    CYS  94           HN       CYS  94   1.115 -17.011   0.959
  711    HA   CYS  94           HA       CYS  94   1.691 -16.137  -1.793
  712   1HB   CYS  94          2HB       CYS  94   2.680 -15.364   0.500
  713   2HB   CYS  94          1HB       CYS  94   3.698 -16.797   0.358

  No H/Q in entry =         713
  Start of MODEL    2
    1    H1   VAL   1          3H        VAL   1  -3.097 -11.115  -0.926
    2    H2   VAL   1          2H        VAL   1  -1.775 -10.051  -1.014
    3    H3   VAL   1          1H        VAL   1  -1.697 -11.571  -1.767
    4    HA   VAL   1           HA       VAL   1  -1.510 -12.716   0.251
    5    HB   VAL   1           HB       VAL   1   0.495 -11.723   1.090
    6   1HG1  VAL   1          2HG1      VAL   1   0.222 -12.147  -1.495
    7   2HG1  VAL   1          1HG1      VAL   1   0.348 -10.390  -1.597
    8   3HG1  VAL   1          3HG1      VAL   1   1.664 -11.329  -0.890
    9   1HG2  VAL   1          1HG2      VAL   1  -0.815  -9.124   0.272
   10   2HG2  VAL   1          3HG2      VAL   1  -0.246  -9.603   1.871
   11   3HG2  VAL   1          2HG2      VAL   1   0.915  -9.231   0.597
   12    H    THR   2           HN       THR   2  -1.975 -12.854   2.503
   13    HA   THR   2           HA       THR   2  -3.589 -10.574   3.606
   14    HB   THR   2           HB       THR   2  -3.880 -13.562   4.049
   15    HG1  THR   2          1HG       THR   2  -5.169 -11.710   2.354
   16   1HG2  THR   2          2HG2      THR   2  -5.524 -11.171   4.910
   17   2HG2  THR   2          1HG2      THR   2  -6.104 -12.834   4.995
   18   3HG2  THR   2          3HG2      THR   2  -4.708 -12.337   5.951
   19    H    VAL   3           HN       VAL   3  -3.238 -10.056   5.796
   20    HA   VAL   3           HA       VAL   3  -0.672 -10.958   6.944
   21    HB   VAL   3           HB       VAL   3  -2.803  -8.934   7.694
   22   1HG1  VAL   3          3HG1      VAL   3  -0.324  -9.833   9.145
   23   2HG1  VAL   3          2HG1      VAL   3  -0.876  -8.163   9.287
   24   3HG1  VAL   3          1HG1      VAL   3  -1.925  -9.486   9.798
   25   1HG2  VAL   3          1HG2      VAL   3  -1.174  -8.620   5.708
   26   2HG2  VAL   3          3HG2      VAL   3  -1.275  -7.316   6.892
   27   3HG2  VAL   3          2HG2      VAL   3   0.078  -8.446   6.939
   28    H    GLN   4           HN       GLN   4  -0.640 -12.758   8.246
   29    HA   GLN   4           HA       GLN   4  -3.164 -13.514   9.668
   30   1HB   GLN   4          2HB       GLN   4  -2.299 -15.115   8.033
   31   2HB   GLN   4          1HB       GLN   4  -0.713 -15.082   8.804
   32   1HG   GLN   4          2HG       GLN   4  -1.746 -15.956  10.893
   33   2HG   GLN   4          1HG       GLN   4  -3.296 -16.059  10.060
   34   1HE2  GLN   4          1HE2      GLN   4  -3.702 -18.111   9.239
   35   2HE2  GLN   4          2HE2      GLN   4  -2.518 -19.215   8.729
   36    H    ASP   5           HN       ASP   5  -3.124 -12.961  11.809
   37    HA   ASP   5           HA       ASP   5  -0.531 -12.665  13.224
   38   1HB   ASP   5          2HB       ASP   5  -2.376 -10.968  13.328
   39   2HB   ASP   5          1HB       ASP   5  -3.393 -12.178  14.113
   40    H    GLY   6           HN       GLY   6  -2.268 -15.246  12.453
   41   1HA   GLY   6          1HA       GLY   6  -2.981 -16.538  14.885
   42   2HA   GLY   6          2HA       GLY   6  -1.299 -16.928  14.528
   43    H    ASN   7           HN       ASN   7  -4.081 -18.387  14.325
   44    HA   ASN   7           HA       ASN   7  -3.348 -19.910  11.907
   45   1HB   ASN   7          2HB       ASN   7  -5.532 -20.191  13.999
   46   2HB   ASN   7          1HB       ASN   7  -5.183 -21.385  12.748
   47   1HD2  ASN   7          1HD2      ASN   7  -4.875 -21.561  15.779
   48   2HD2  ASN   7          2HD2      ASN   7  -3.257 -22.015  16.019
   49    H    PHE   8           HN       PHE   8  -4.961 -17.097  12.295
   50    HA   PHE   8           HA       PHE   8  -6.940 -17.735  10.129
   51   1HB   PHE   8          2HB       PHE   8  -7.114 -15.710  12.383
   52   2HB   PHE   8          1HB       PHE   8  -8.378 -16.050  11.202
   53    HD1  PHE   8           HD1      PHE   8  -6.554 -17.318  14.141
   54    HD2  PHE   8           HD2      PHE   8  -9.668 -18.124  11.294
   55    HE1  PHE   8           HE1      PHE   8  -7.380 -19.171  15.568
   56    HE2  PHE   8           HE2      PHE   8 -10.492 -19.978  12.720
   57    HZ   PHE   8           HZ       PHE   8  -9.348 -20.502  14.857
   58    H    SER   9           HN       SER   9  -6.846 -16.387   8.333
   59    HA   SER   9           HA       SER   9  -4.590 -14.529   8.104
   60   1HB   SER   9          2HB       SER   9  -5.116 -14.620   5.807
   61   2HB   SER   9          1HB       SER   9  -5.654 -16.195   6.393
   62    HG   SER   9           HG       SER   9  -7.740 -15.450   6.455
   63    H    PHE  10           HN       PHE  10  -4.728 -12.389   8.621
   64    HA   PHE  10           HA       PHE  10  -7.441 -11.112   8.723
   65   1HB   PHE  10          2HB       PHE  10  -4.844 -10.472  10.162
   66   2HB   PHE  10          1HB       PHE  10  -6.374  -9.631  10.402
   67    HD1  PHE  10           HD1      PHE  10  -7.838 -12.499   9.896
   68    HD2  PHE  10           HD2      PHE  10  -4.914 -10.961  12.642
   69    HE1  PHE  10           HE1      PHE  10  -8.510 -14.202  11.570
   70    HE2  PHE  10           HE2      PHE  10  -5.586 -12.663  14.313
   71    HZ   PHE  10           HZ       PHE  10  -7.384 -14.284  13.777
   72    H    SER  11           HN       SER  11  -7.782  -9.551   7.172
   73    HA   SER  11           HA       SER  11  -5.665  -8.703   5.373
   74   1HB   SER  11          2HB       SER  11  -7.465  -7.500   4.312
   75   2HB   SER  11          1HB       SER  11  -8.152  -9.011   4.910
   76    HG   SER  11           HG       SER  11  -9.149  -6.770   5.394
   77    H    LEU  12           HN       LEU  12  -5.245  -6.287   5.025
   78    HA   LEU  12           HA       LEU  12  -4.675  -5.020   7.647
   79   1HB   LEU  12          2HB       LEU  12  -3.891  -4.372   4.787
   80   2HB   LEU  12          1HB       LEU  12  -3.257  -3.556   6.216
   81    HG   LEU  12           HG       LEU  12  -2.564  -5.904   7.029
   82   1HD1  LEU  12          1HD1      LEU  12  -3.536  -6.435   4.261
   83   2HD1  LEU  12          3HD1      LEU  12  -2.061  -7.261   4.765
   84   3HD1  LEU  12          2HD1      LEU  12  -3.552  -7.484   5.680
   85   1HD2  LEU  12          2HD2      LEU  12  -1.039  -4.116   6.097
   86   2HD2  LEU  12          1HD2      LEU  12  -0.464  -5.764   5.844
   87   3HD2  LEU  12          3HD2      LEU  12  -1.214  -4.879   4.517
   88    H    GLU  13           HN       GLU  13  -6.848  -4.694   4.947
   89    HA   GLU  13           HA       GLU  13  -7.466  -1.933   5.015
   90   1HB   GLU  13          2HB       GLU  13  -8.207  -3.623   3.342
   91   2HB   GLU  13          1HB       GLU  13  -9.301  -4.306   4.546
   92   1HG   GLU  13          2HG       GLU  13 -10.462  -2.130   4.717
   93   2HG   GLU  13          1HG       GLU  13  -9.370  -1.455   3.508
   94    H    SER  14           HN       SER  14  -9.536  -4.465   6.501
   95    HA   SER  14           HA       SER  14 -11.205  -2.922   8.055
   96   1HB   SER  14          2HB       SER  14  -9.774  -5.391   9.065
   97   2HB   SER  14          1HB       SER  14 -11.412  -4.873   9.455
   98    HG   SER  14           HG       SER  14 -11.505  -4.988   6.935
   99    H    VAL  15           HN       VAL  15  -7.918  -3.968   9.037
  100    HA   VAL  15           HA       VAL  15  -7.925  -2.625  11.572
  101    HB   VAL  15           HB       VAL  15  -5.714  -3.446   9.663
  102   1HG1  VAL  15          2HG1      VAL  15  -5.227  -1.709  11.565
  103   2HG1  VAL  15          1HG1      VAL  15  -5.401  -3.100  12.634
  104   3HG1  VAL  15          3HG1      VAL  15  -4.160  -3.101  11.382
  105   1HG2  VAL  15          1HG2      VAL  15  -7.426  -4.821  11.655
  106   2HG2  VAL  15          3HG2      VAL  15  -6.596  -5.475  10.240
  107   3HG2  VAL  15          2HG2      VAL  15  -5.706  -5.208  11.740
  108    H    LYS  16           HN       LYS  16  -6.545  -1.653   8.399
  109    HA   LYS  16           HA       LYS  16  -5.591   0.906   9.149
  110   1HB   LYS  16          2HB       LYS  16  -5.071  -0.053   7.005
  111   2HB   LYS  16          1HB       LYS  16  -6.780  -0.229   6.600
  112   1HG   LYS  16          2HG       LYS  16  -6.071   1.701   5.406
  113   2HG   LYS  16          1HG       LYS  16  -6.919   2.333   6.816
  114   1HD   LYS  16          2HD       LYS  16  -4.765   2.632   7.983
  115   2HD   LYS  16          1HD       LYS  16  -3.913   1.981   6.584
  116   1HE   LYS  16          2HE       LYS  16  -3.782   4.152   5.887
  117   2HE   LYS  16          1HE       LYS  16  -5.497   3.983   5.474
  118   1HZ   LYS  16          2HZ       LYS  16  -5.465   4.325   8.190
  119   2HZ   LYS  16          1HZ       LYS  16  -4.285   5.416   7.641
  120   3HZ   LYS  16          3HZ       LYS  16  -5.869   5.512   7.046
  121    H    LYS  17           HN       LYS  17  -8.793  -0.023   7.842
  122    HA   LYS  17           HA       LYS  17  -9.917   2.642   8.291
  123   1HB   LYS  17          2HB       LYS  17 -11.115  -0.052   7.567
  124   2HB   LYS  17          1HB       LYS  17 -11.975   1.485   7.487
  125   1HG   LYS  17          2HG       LYS  17 -10.262   2.320   5.880
  126   2HG   LYS  17          1HG       LYS  17  -9.494   0.732   5.912
  127   1HD   LYS  17          2HD       LYS  17 -11.650  -0.277   5.148
  128   2HD   LYS  17          1HD       LYS  17 -12.324   1.346   5.010
  129   1HE   LYS  17          2HE       LYS  17  -9.905   1.511   3.620
  130   2HE   LYS  17          1HE       LYS  17 -10.566  -0.071   3.162
  131   1HZ   LYS  17          3HZ       LYS  17 -12.780   1.239   3.039
  132   2HZ   LYS  17          2HZ       LYS  17 -11.781   2.606   2.894
  133   3HZ   LYS  17          1HZ       LYS  17 -11.688   1.356   1.746
  134    H    LEU  18           HN       LEU  18  -9.049   0.289  10.428
  135    HA   LEU  18           HA       LEU  18 -11.368  -0.128  12.045
  136   1HB   LEU  18          2HB       LEU  18  -9.202  -1.390  12.026
  137   2HB   LEU  18          1HB       LEU  18  -8.428   0.001  12.784
  138    HG   LEU  18           HG       LEU  18  -9.684  -0.253  14.780
  139   1HD1  LEU  18          3HD1      LEU  18 -11.433  -2.112  13.148
  140   2HD1  LEU  18          2HD1      LEU  18 -11.548  -1.967  14.902
  141   3HD1  LEU  18          1HD1      LEU  18 -11.895  -0.575  13.878
  142   1HD2  LEU  18          2HD2      LEU  18  -7.904  -1.983  14.392
  143   2HD2  LEU  18          1HD2      LEU  18  -9.189  -2.532  15.470
  144   3HD2  LEU  18          3HD2      LEU  18  -9.156  -3.073  13.791
  145    H    LYS  19           HN       LYS  19  -8.873   2.416  12.035
  146    HA   LYS  19           HA       LYS  19  -9.520   3.702  14.478
  147   1HB   LYS  19          2HB       LYS  19  -7.558   4.138  13.007
  148   2HB   LYS  19          1HB       LYS  19  -8.631   4.900  11.833
  149   1HG   LYS  19          2HG       LYS  19  -9.265   6.604  13.464
  150   2HG   LYS  19          1HG       LYS  19  -8.303   5.809  14.709
  151   1HD   LYS  19          2HD       LYS  19  -7.028   7.675  13.798
  152   2HD   LYS  19          1HD       LYS  19  -6.269   6.165  13.295
  153   1HE   LYS  19          2HE       LYS  19  -8.344   7.095  11.425
  154   2HE   LYS  19          1HE       LYS  19  -6.968   8.205  11.573
  155   1HZ   LYS  19          1HZ       LYS  19  -5.640   5.965  11.549
  156   2HZ   LYS  19          3HZ       LYS  19  -7.011   5.387  10.735
  157   3HZ   LYS  19          2HZ       LYS  19  -6.127   6.688  10.090
  158    H    ASP  20           HN       ASP  20 -10.982   4.011  11.253
  159    HA   ASP  20           HA       ASP  20 -13.229   5.541  12.513
  160   1HB   ASP  20          2HB       ASP  20 -13.258   6.820  10.322
  161   2HB   ASP  20          1HB       ASP  20 -11.824   7.096  11.309
  162    H    LEU  21           HN       LEU  21 -15.156   4.517  12.147
  163    HA   LEU  21           HA       LEU  21 -15.286   2.286  10.221
  164   1HB   LEU  21          2HB       LEU  21 -16.874   3.398  12.495
  165   2HB   LEU  21          1HB       LEU  21 -17.733   2.413  11.311
  166    HG   LEU  21           HG       LEU  21 -15.271   1.602  12.888
  167   1HD1  LEU  21          1HD1      LEU  21 -17.388   1.547  14.160
  168   2HD1  LEU  21          3HD1      LEU  21 -18.123   0.568  12.892
  169   3HD1  LEU  21          2HD1      LEU  21 -16.795  -0.086  13.851
  170   1HD2  LEU  21          1HD2      LEU  21 -16.737   0.330  10.582
  171   2HD2  LEU  21          3HD2      LEU  21 -15.001   0.544  10.800
  172   3HD2  LEU  21          2HD2      LEU  21 -15.867  -0.662  11.752
  173    H    GLN  22           HN       GLN  22 -16.030   2.592   8.155
  174    HA   GLN  22           HA       GLN  22 -18.092   4.684   7.655
  175   1HB   GLN  22          2HB       GLN  22 -15.411   4.424   6.252
  176   2HB   GLN  22          1HB       GLN  22 -16.696   5.529   5.766
  177   1HG   GLN  22          2HG       GLN  22 -16.589   6.632   7.968
  178   2HG   GLN  22          1HG       GLN  22 -15.316   5.519   8.468
  179   1HE2  GLN  22          1HE2      GLN  22 -14.652   8.205   8.517
  180   2HE2  GLN  22          2HE2      GLN  22 -13.623   8.591   7.222
  181    H    GLU  23           HN       GLU  23 -18.778   2.067   7.647
  182    HA   GLU  23           HA       GLU  23 -19.681   0.350   6.294
  183   1HB   GLU  23          2HB       GLU  23 -19.698   2.890   4.723
  184   2HB   GLU  23          1HB       GLU  23 -20.085   1.401   3.859
  185   1HG   GLU  23          2HG       GLU  23 -22.176   1.559   4.687
  186   2HG   GLU  23          1HG       GLU  23 -21.501   1.239   6.285
  187    HA   PRO  24           HA       PRO  24 -15.345  -0.213   4.480
  188   1HB   PRO  24          2HB       PRO  24 -15.189  -2.596   6.085
  189   2HB   PRO  24          1HB       PRO  24 -14.226  -1.123   6.229
  190   1HG   PRO  24          2HG       PRO  24 -16.283  -2.058   7.996
  191   2HG   PRO  24          1HG       PRO  24 -15.336  -0.575   8.128
  192   1HD   PRO  24          2HD       PRO  24 -18.125  -0.850   7.405
  193   2HD   PRO  24          1HD       PRO  24 -17.180   0.647   7.578
  194    H    GLN  25           HN       GLN  25 -17.451  -0.698   2.922
  195    HA   GLN  25           HA       GLN  25 -18.339  -3.402   2.615
  196   1HB   GLN  25          2HB       GLN  25 -18.053  -1.087   0.673
  197   2HB   GLN  25          1HB       GLN  25 -18.985  -2.549   0.344
  198   1HG   GLN  25          2HG       GLN  25 -20.433  -2.092   2.263
  199   2HG   GLN  25          1HG       GLN  25 -19.467  -0.678   2.685
  200   1HE2  GLN  25          1HE2      GLN  25 -22.251  -0.416   2.094
  201   2HE2  GLN  25          2HE2      GLN  25 -22.417   0.436   0.636
  202    H    GLU  26           HN       GLU  26 -15.351  -1.846   1.784
  203    HA   GLU  26           HA       GLU  26 -13.378  -2.758   0.845
  204   1HB   GLU  26          2HB       GLU  26 -14.701  -4.793   2.121
  205   2HB   GLU  26          1HB       GLU  26 -14.582  -5.432   0.482
  206   1HG   GLU  26          2HG       GLU  26 -12.070  -4.443   0.799
  207   2HG   GLU  26          1HG       GLU  26 -12.443  -4.892   2.463
  208    HA   PRO  27           HA       PRO  27 -15.965  -2.708  -3.171
  209   1HB   PRO  27          2HB       PRO  27 -14.721  -0.183  -3.761
  210   2HB   PRO  27          1HB       PRO  27 -16.430  -0.508  -3.466
  211   1HG   PRO  27          2HG       PRO  27 -14.566   0.844  -1.747
  212   2HG   PRO  27          1HG       PRO  27 -16.277   0.528  -1.456
  213   1HD   PRO  27          2HD       PRO  27 -14.009  -0.718  -0.181
  214   2HD   PRO  27          1HD       PRO  27 -15.736  -1.044   0.099
  215    H    ARG  28           HN       ARG  28 -14.962  -3.111  -5.237
  216    HA   ARG  28           HA       ARG  28 -12.300  -4.160  -5.196
  217   1HB   ARG  28          2HB       ARG  28 -14.161  -4.783  -6.743
  218   2HB   ARG  28          1HB       ARG  28 -13.996  -3.213  -7.531
  219   1HG   ARG  28          2HG       ARG  28 -11.629  -3.764  -8.068
  220   2HG   ARG  28          1HG       ARG  28 -11.856  -5.356  -7.345
  221   1HD   ARG  28          2HD       ARG  28 -13.689  -5.801  -8.993
  222   2HD   ARG  28          1HD       ARG  28 -13.330  -4.242  -9.760
  223    HE   ARG  28           HE       ARG  28 -11.419  -6.542  -9.598
  224   1HH1  ARG  28          1HH1      ARG  28 -12.974  -4.514 -11.710
  225   2HH1  ARG  28          2HH1      ARG  28 -11.561  -4.014 -12.579
  226   1HH2  ARG  28          1HH2      ARG  28  -9.349  -5.464 -10.336
  227   2HH2  ARG  28          2HH2      ARG  28  -9.508  -4.552 -11.800
  228    H    VAL  29           HN       VAL  29 -10.687  -2.675  -4.628
  229    HA   VAL  29           HA       VAL  29 -10.433  -0.252  -6.384
  230    HB   VAL  29           HB       VAL  29 -11.066   0.177  -4.004
  231   1HG1  VAL  29          1HG1      VAL  29  -9.679  -1.918  -3.275
  232   2HG1  VAL  29          3HG1      VAL  29  -8.322  -0.792  -3.233
  233   3HG1  VAL  29          2HG1      VAL  29  -9.728  -0.516  -2.205
  234   1HG2  VAL  29          1HG2      VAL  29  -9.211   1.480  -5.524
  235   2HG2  VAL  29          3HG2      VAL  29  -9.759   2.047  -3.946
  236   3HG2  VAL  29          2HG2      VAL  29  -8.263   1.123  -4.079
  237    H    GLY  30           HN       GLY  30  -8.391   0.086  -7.290
  238   1HA   GLY  30          1HA       GLY  30  -6.428  -0.918  -8.259
  239   2HA   GLY  30          2HA       GLY  30  -6.449  -2.133  -6.981
  240    H    LYS  31           HN       LYS  31  -7.017   0.675  -5.403
  241    HA   LYS  31           HA       LYS  31  -4.306   1.786  -5.328
  242   1HB   LYS  31          2HB       LYS  31  -6.805   2.212  -3.657
  243   2HB   LYS  31          1HB       LYS  31  -5.360   3.219  -3.573
  244   1HG   LYS  31          2HG       LYS  31  -5.622   3.725  -6.005
  245   2HG   LYS  31          1HG       LYS  31  -7.127   2.806  -6.003
  246   1HD   LYS  31          2HD       LYS  31  -8.034   4.327  -4.266
  247   2HD   LYS  31          1HD       LYS  31  -6.539   5.261  -4.318
  248   1HE   LYS  31          2HE       LYS  31  -7.377   5.037  -7.008
  249   2HE   LYS  31          1HE       LYS  31  -8.833   5.435  -6.076
  250   1HZ   LYS  31          2HZ       LYS  31  -6.293   6.781  -5.444
  251   2HZ   LYS  31          1HZ       LYS  31  -7.189   7.317  -6.784
  252   3HZ   LYS  31          3HZ       LYS  31  -7.884   7.340  -5.237
  253    H    LEU  32           HN       LEU  32  -2.830   1.563  -3.582
  254    HA   LEU  32           HA       LEU  32  -3.272  -0.834  -1.869
  255   1HB   LEU  32          2HB       LEU  32  -1.252  -0.538  -3.352
  256   2HB   LEU  32          1HB       LEU  32  -0.788   0.838  -2.351
  257    HG   LEU  32           HG       LEU  32  -0.876  -0.721  -0.351
  258   1HD1  LEU  32          1HD1      LEU  32  -1.826  -2.495  -2.446
  259   2HD1  LEU  32          3HD1      LEU  32  -0.414  -3.174  -1.636
  260   3HD1  LEU  32          2HD1      LEU  32  -1.840  -2.731  -0.698
  261   1HD2  LEU  32          3HD2      LEU  32   1.112  -0.401  -2.367
  262   2HD2  LEU  32          2HD2      LEU  32   1.352  -0.785  -0.664
  263   3HD2  LEU  32          1HD2      LEU  32   1.161  -2.083  -1.841
  264    H    ARG  33           HN       ARG  33  -3.889  -0.497   0.229
  265    HA   ARG  33           HA       ARG  33  -4.063   2.135   1.406
  266   1HB   ARG  33          2HB       ARG  33  -4.230  -0.677   2.541
  267   2HB   ARG  33          1HB       ARG  33  -4.709   0.777   3.415
  268   1HG   ARG  33          2HG       ARG  33  -6.313   1.293   1.557
  269   2HG   ARG  33          1HG       ARG  33  -5.902  -0.258   0.826
  270   1HD   ARG  33          2HD       ARG  33  -6.619  -1.390   2.956
  271   2HD   ARG  33          1HD       ARG  33  -7.175   0.187   3.550
  272    HE   ARG  33           HE       ARG  33  -8.676  -1.407   1.781
  273   1HH1  ARG  33          1HH1      ARG  33  -8.301   1.770   2.725
  274   2HH1  ARG  33          2HH1      ARG  33  -9.050   2.469   1.329
  275   1HH2  ARG  33          1HH2      ARG  33  -9.208  -0.524  -0.413
  276   2HH2  ARG  33          2HH2      ARG  33  -9.564   1.171  -0.447
  277    H    ASN  34           HN       ASN  34  -2.602   3.186   2.732
  278    HA   ASN  34           HA       ASN  34  -0.521   1.827   4.218
  279   1HB   ASN  34          2HB       ASN  34   0.200   1.638   1.793
  280   2HB   ASN  34          1HB       ASN  34   0.340   3.395   1.772
  281   1HD2  ASN  34          1HD2      ASN  34   2.640   1.725   1.381
  282   2HD2  ASN  34          2HD2      ASN  34   3.670   1.913   2.716
  283    H    PHE  35           HN       PHE  35  -2.572   3.977   4.506
  284    HA   PHE  35           HA       PHE  35  -0.813   6.315   5.146
  285   1HB   PHE  35          2HB       PHE  35  -2.692   6.633   3.551
  286   2HB   PHE  35          1HB       PHE  35  -3.819   6.080   4.788
  287    HD1  PHE  35           HD1      PHE  35  -1.561   8.798   3.746
  288    HD2  PHE  35           HD2      PHE  35  -4.340   7.458   6.733
  289    HE1  PHE  35           HE1      PHE  35  -1.667  11.094   4.677
  290    HE2  PHE  35           HE2      PHE  35  -4.446   9.753   7.666
  291    HZ   PHE  35           HZ       PHE  35  -3.110  11.571   6.637
  292    H    ALA  36           HN       ALA  36  -1.916   3.658   6.660
  293    HA   ALA  36           HA       ALA  36  -3.345   4.512   8.954
  294   1HB   ALA  36          1HB       ALA  36  -3.230   2.246   8.982
  295   2HB   ALA  36          3HB       ALA  36  -1.747   2.239   8.030
  296   3HB   ALA  36          2HB       ALA  36  -1.671   2.453   9.779
  297    HA   PRO  37           HA       PRO  37  -0.224   7.148  10.784
  298   1HB   PRO  37          2HB       PRO  37  -1.781   7.126  13.205
  299   2HB   PRO  37          1HB       PRO  37  -1.654   8.413  12.005
  300   1HG   PRO  37          2HG       PRO  37  -3.889   6.684  12.509
  301   2HG   PRO  37          1HG       PRO  37  -3.759   7.961  11.297
  302   1HD   PRO  37          2HD       PRO  37  -3.759   5.102  10.873
  303   2HD   PRO  37          1HD       PRO  37  -3.648   6.390   9.650
  304    H    ILE  38           HN       ILE  38  -0.192   6.817  13.787
  305    HA   ILE  38           HA       ILE  38   1.357   4.255  13.863
  306    HB   ILE  38           HB       ILE  38   2.305   5.489  15.961
  307   1HG1  ILE  38          2HG1      ILE  38   0.312   7.214  15.617
  308   2HG1  ILE  38          1HG1      ILE  38   1.878   7.746  16.226
  309   1HG2  ILE  38          1HG2      ILE  38   2.787   5.970  13.070
  310   2HG2  ILE  38          3HG2      ILE  38   3.552   7.099  14.187
  311   3HG2  ILE  38          2HG2      ILE  38   3.887   5.372  14.311
  312   1HD1  ILE  38          1HD1      ILE  38   1.550   7.676  13.267
  313   2HD1  ILE  38          3HD1      ILE  38   0.662   8.930  14.132
  314   3HD1  ILE  38          2HD1      ILE  38   2.417   8.835  14.274
  315    HA   PRO  39           HA       PRO  39  -1.288   2.397  16.819
  316   1HB   PRO  39          2HB       PRO  39   0.732   1.949  18.820
  317   2HB   PRO  39          1HB       PRO  39   0.088   0.798  17.645
  318   1HG   PRO  39          2HG       PRO  39   2.678   2.055  17.662
  319   2HG   PRO  39          1HG       PRO  39   2.046   0.882  16.504
  320   1HD   PRO  39          2HD       PRO  39   2.519   3.689  16.081
  321   2HD   PRO  39          1HD       PRO  39   1.833   2.518  14.930
  322    H    GLY  40           HN       GLY  40  -2.301   2.779  18.929
  323   1HA   GLY  40          1HA       GLY  40  -1.887   5.554  19.874
  324   2HA   GLY  40          2HA       GLY  40  -1.721   4.271  21.073
  325    H    GLU  41           HN       GLU  41  -3.864   2.729  19.482
  326    HA   GLU  41           HA       GLU  41  -6.198   4.154  20.702
  327   1HB   GLU  41          2HB       GLU  41  -6.094   4.559  18.270
  328   2HB   GLU  41          1HB       GLU  41  -6.003   2.822  17.978
  329   1HG   GLU  41          2HG       GLU  41  -8.247   2.668  18.066
  330   2HG   GLU  41          1HG       GLU  41  -8.248   3.360  19.688
  331    HA   PRO  42           HA       PRO  42  -5.892  -0.160  22.297
  332   1HB   PRO  42          2HB       PRO  42  -7.503   0.796  24.481
  333   2HB   PRO  42          1HB       PRO  42  -5.800   0.334  24.505
  334   1HG   PRO  42          2HG       PRO  42  -6.921   2.977  24.679
  335   2HG   PRO  42          1HG       PRO  42  -5.217   2.515  24.720
  336   1HD   PRO  42          2HD       PRO  42  -6.635   3.847  22.591
  337   2HD   PRO  42          1HD       PRO  42  -4.924   3.358  22.621
  338    H    VAL  43           HN       VAL  43  -7.481  -1.735  22.003
  339    HA   VAL  43           HA       VAL  43 -10.304  -0.797  21.626
  340    HB   VAL  43           HB       VAL  43 -10.416  -2.272  19.674
  341   1HG1  VAL  43          3HG1      VAL  43  -7.975  -0.472  19.695
  342   2HG1  VAL  43          2HG1      VAL  43  -8.708  -1.134  18.233
  343   3HG1  VAL  43          1HG1      VAL  43  -9.619  -0.013  19.246
  344   1HG2  VAL  43          3HG2      VAL  43  -7.986  -3.333  20.884
  345   2HG2  VAL  43          2HG2      VAL  43  -9.051  -4.071  19.689
  346   3HG2  VAL  43          1HG2      VAL  43  -7.763  -2.986  19.170
  347    H    VAL  44           HN       VAL  44 -11.846  -2.726  21.730
  348    HA   VAL  44           HA       VAL  44 -12.666  -4.655  22.821
  349    HB   VAL  44           HB       VAL  44  -9.743  -5.296  23.282
  350   1HG1  VAL  44          3HG1      VAL  44 -11.725  -6.676  24.247
  351   2HG1  VAL  44          2HG1      VAL  44 -11.980  -7.187  22.578
  352   3HG1  VAL  44          1HG1      VAL  44 -10.451  -7.538  23.384
  353   1HG2  VAL  44          1HG2      VAL  44 -10.375  -4.562  20.880
  354   2HG2  VAL  44          3HG2      VAL  44  -9.564  -6.116  21.072
  355   3HG2  VAL  44          2HG2      VAL  44 -11.308  -6.056  20.818
  356    HA   PRO  45           HA       PRO  45 -11.396  -2.314  26.776
  357   1HB   PRO  45          2HB       PRO  45 -14.152  -1.511  26.979
  358   2HB   PRO  45          1HB       PRO  45 -12.738  -0.483  26.734
  359   1HG   PRO  45          2HG       PRO  45 -14.786  -1.161  24.831
  360   2HG   PRO  45          1HG       PRO  45 -13.386  -0.114  24.593
  361   1HD   PRO  45          2HD       PRO  45 -13.822  -2.748  23.508
  362   2HD   PRO  45          1HD       PRO  45 -12.395  -1.706  23.298
  363    H    ILE  46           HN       ILE  46 -14.454  -3.946  25.921
  364    HA   ILE  46           HA       ILE  46 -14.049  -5.863  28.159
  365    HB   ILE  46           HB       ILE  46 -16.503  -4.124  27.725
  366   1HG1  ILE  46          2HG1      ILE  46 -14.498  -4.241  29.999
  367   2HG1  ILE  46          1HG1      ILE  46 -14.605  -2.955  28.797
  368   1HG2  ILE  46          3HG2      ILE  46 -16.192  -6.700  28.955
  369   2HG2  ILE  46          2HG2      ILE  46 -16.546  -5.512  30.209
  370   3HG2  ILE  46          1HG2      ILE  46 -17.645  -5.708  28.845
  371   1HD1  ILE  46          3HD1      ILE  46 -17.200  -3.107  29.702
  372   2HD1  ILE  46          2HD1      ILE  46 -16.282  -3.455  31.166
  373   3HD1  ILE  46          1HD1      ILE  46 -16.000  -1.953  30.285
  374    H    LEU  47           HN       LEU  47 -15.979  -4.839  25.357
  375    HA   LEU  47           HA       LEU  47 -16.193  -7.691  24.514
  376   1HB   LEU  47          2HB       LEU  47 -18.504  -5.725  24.681
  377   2HB   LEU  47          1HB       LEU  47 -18.604  -7.412  24.174
  378    HG   LEU  47           HG       LEU  47 -17.711  -6.464  26.916
  379   1HD1  LEU  47          1HD1      LEU  47 -20.310  -6.704  25.825
  380   2HD1  LEU  47          3HD1      LEU  47 -20.080  -8.115  26.858
  381   3HD1  LEU  47          2HD1      LEU  47 -19.880  -6.493  27.523
  382   1HD2  LEU  47          3HD2      LEU  47 -17.178  -8.859  25.570
  383   2HD2  LEU  47          2HD2      LEU  47 -17.052  -8.588  27.308
  384   3HD2  LEU  47          1HD2      LEU  47 -18.539  -9.242  26.624
  385    H    CYS  48           HN       CYS  48 -14.524  -6.776  22.985
  386    HA   CYS  48           HA       CYS  48 -13.928  -5.941  20.859
  387   1HB   CYS  48          2HB       CYS  48 -16.915  -6.396  20.627
  388   2HB   CYS  48          1HB       CYS  48 -15.894  -6.000  19.245
  389    H    SER  49           HN       SER  49 -13.691  -3.914  19.862
  390    HA   SER  49           HA       SER  49 -15.124  -1.656  21.172
  391   1HB   SER  49          2HB       SER  49 -12.488  -2.213  20.058
  392   2HB   SER  49          1HB       SER  49 -13.147  -0.698  19.443
  393    HG   SER  49           HG       SER  49 -12.463   0.040  21.286
  394    H    ASN  50           HN       ASN  50 -13.833  -2.044  17.880
  395    HA   ASN  50           HA       ASN  50 -16.014  -0.495  16.720
  396   1HB   ASN  50          2HB       ASN  50 -13.475  -1.794  15.922
  397   2HB   ASN  50          1HB       ASN  50 -14.684  -1.676  14.643
  398   1HD2  ASN  50          1HD2      ASN  50 -15.925   0.784  15.357
  399   2HD2  ASN  50          2HD2      ASN  50 -14.790   2.036  15.197
  400    HA   PRO  51           HA       PRO  51 -18.654  -4.152  16.583
  401   1HB   PRO  51          2HB       PRO  51 -20.549  -2.541  15.136
  402   2HB   PRO  51          1HB       PRO  51 -20.624  -3.056  16.822
  403   1HG   PRO  51          2HG       PRO  51 -20.102  -0.422  15.807
  404   2HG   PRO  51          1HG       PRO  51 -20.167  -0.940  17.493
  405   1HD   PRO  51          2HD       PRO  51 -17.837  -0.199  15.954
  406   2HD   PRO  51          1HD       PRO  51 -17.905  -0.711  17.655
  407    H    ASN  52           HN       ASN  52 -17.235  -2.307  14.065
  408    HA   ASN  52           HA       ASN  52 -17.960  -4.429  12.077
  409   1HB   ASN  52          2HB       ASN  52 -19.065  -2.075  11.967
  410   2HB   ASN  52          1HB       ASN  52 -17.485  -1.529  11.411
  411   1HD2  ASN  52          1HD2      ASN  52 -18.679  -1.057   9.342
  412   2HD2  ASN  52          2HD2      ASN  52 -18.916  -2.317   8.227
  413    H    PHE  53           HN       PHE  53 -15.561  -4.205  13.798
  414    HA   PHE  53           HA       PHE  53 -13.375  -3.207  12.114
  415   1HB   PHE  53          2HB       PHE  53 -12.105  -3.607  14.026
  416   2HB   PHE  53          1HB       PHE  53 -13.705  -3.474  14.751
  417    HD1  PHE  53           HD1      PHE  53 -15.060  -5.912  14.354
  418    HD2  PHE  53           HD2      PHE  53 -10.848  -5.323  14.962
  419    HE1  PHE  53           HE1      PHE  53 -14.859  -8.230  15.215
  420    HE2  PHE  53           HE2      PHE  53 -10.647  -7.642  15.821
  421    HZ   PHE  53           HZ       PHE  53 -12.651  -9.094  15.948
  422    HA   PRO  54           HA       PRO  54 -12.123  -6.872  10.010
  423   1HB   PRO  54          2HB       PRO  54  -9.871  -7.668  11.624
  424   2HB   PRO  54          1HB       PRO  54  -9.851  -6.848  10.065
  425   1HG   PRO  54          2HG       PRO  54  -9.235  -5.760  12.651
  426   2HG   PRO  54          1HG       PRO  54  -9.219  -4.926  11.096
  427   1HD   PRO  54          2HD       PRO  54 -11.098  -4.605  13.246
  428   2HD   PRO  54          1HD       PRO  54 -11.115  -3.791  11.666
  429    H    GLU  55           HN       GLU  55 -14.167  -7.739  11.143
  430    HA   GLU  55           HA       GLU  55 -14.375  -9.236  13.440
  431   1HB   GLU  55          2HB       GLU  55 -16.110  -8.789  11.694
  432   2HB   GLU  55          1HB       GLU  55 -15.380 -10.051  10.696
  433   1HG   GLU  55          2HG       GLU  55 -15.769 -11.695  12.512
  434   2HG   GLU  55          1HG       GLU  55 -16.532 -10.432  13.478
  435    H    GLU  56           HN       GLU  56 -12.782 -10.265  10.425
  436    HA   GLU  56           HA       GLU  56 -12.336 -12.993  10.995
  437   1HB   GLU  56          2HB       GLU  56 -10.551 -10.906   9.691
  438   2HB   GLU  56          1HB       GLU  56 -10.327 -12.648   9.532
  439   1HG   GLU  56          2HG       GLU  56 -12.630 -12.818   8.579
  440   2HG   GLU  56          1HG       GLU  56 -12.762 -11.062   8.656
  441    H    LEU  57           HN       LEU  57 -11.142 -10.175  12.551
  442    HA   LEU  57           HA       LEU  57  -8.891 -11.575  13.892
  443   1HB   LEU  57          2HB       LEU  57  -9.954  -8.747  13.728
  444   2HB   LEU  57          1HB       LEU  57  -8.690  -9.189  14.879
  445    HG   LEU  57           HG       LEU  57  -7.351 -10.100  12.988
  446   1HD1  LEU  57          1HD1      LEU  57  -9.831  -9.419  11.544
  447   2HD1  LEU  57          3HD1      LEU  57  -8.345  -8.934  10.729
  448   3HD1  LEU  57          2HD1      LEU  57  -8.601 -10.623  11.164
  449   1HD2  LEU  57          3HD2      LEU  57  -7.783  -7.420  13.704
  450   2HD2  LEU  57          2HD2      LEU  57  -6.385  -8.064  12.840
  451   3HD2  LEU  57          1HD2      LEU  57  -7.761  -7.422  11.941
  452    H    LYS  58           HN       LYS  58 -11.998 -11.832  14.242
  453    HA   LYS  58           HA       LYS  58 -13.040 -10.996  16.628
  454   1HB   LYS  58          2HB       LYS  58 -13.212 -13.349  14.903
  455   2HB   LYS  58          1HB       LYS  58 -13.629 -13.717  16.577
  456   1HG   LYS  58          2HG       LYS  58 -14.761 -11.188  15.558
  457   2HG   LYS  58          1HG       LYS  58 -15.372 -12.638  14.760
  458   1HD   LYS  58          2HD       LYS  58 -16.758 -12.879  16.529
  459   2HD   LYS  58          1HD       LYS  58 -15.330 -13.318  17.466
  460   1HE   LYS  58          2HE       LYS  58 -15.959 -11.515  18.753
  461   2HE   LYS  58          1HE       LYS  58 -15.144 -10.582  17.483
  462   1HZ   LYS  58          3HZ       LYS  58 -17.480 -11.020  16.317
  463   2HZ   LYS  58          2HZ       LYS  58 -17.998 -11.022  17.936
  464   3HZ   LYS  58          1HZ       LYS  58 -17.201  -9.664  17.297
  465    HA   PRO  59           HA       PRO  59 -10.715 -14.604  18.995
  466   1HB   PRO  59          2HB       PRO  59  -8.217 -14.867  17.581
  467   2HB   PRO  59          1HB       PRO  59  -9.444 -16.103  17.869
  468   1HG   PRO  59          2HG       PRO  59  -8.849 -14.685  15.408
  469   2HG   PRO  59          1HG       PRO  59  -9.965 -16.029  15.659
  470   1HD   PRO  59          2HD       PRO  59 -10.661 -13.335  15.115
  471   2HD   PRO  59          1HD       PRO  59 -11.772 -14.623  15.631
  472    H    LEU  60           HN       LEU  60  -8.766 -12.182  17.198
  473    HA   LEU  60           HA       LEU  60  -6.975 -11.517  19.304
  474   1HB   LEU  60          2HB       LEU  60  -8.157  -9.960  16.986
  475   2HB   LEU  60          1HB       LEU  60  -6.836  -9.350  17.982
  476    HG   LEU  60           HG       LEU  60  -6.777 -11.986  16.479
  477   1HD1  LEU  60          3HD1      LEU  60  -6.059  -9.206  15.720
  478   2HD1  LEU  60          2HD1      LEU  60  -4.873 -10.448  15.316
  479   3HD1  LEU  60          1HD1      LEU  60  -6.522 -10.567  14.699
  480   1HD2  LEU  60          1HD2      LEU  60  -4.720 -10.427  18.063
  481   2HD2  LEU  60          3HD2      LEU  60  -5.339 -12.042  18.412
  482   3HD2  LEU  60          2HD2      LEU  60  -4.313 -11.777  17.002
  483    H    CYS  61           HN       CYS  61 -10.256 -10.311  18.538
  484    HA   CYS  61           HA       CYS  61 -10.269  -8.216  20.517
  485   1HB   CYS  61          2HB       CYS  61 -11.818  -8.101  18.730
  486   2HB   CYS  61          1HB       CYS  61 -12.314  -9.780  18.940
  487    H    LYS  62           HN       LYS  62 -11.008 -11.670  20.596
  488    HA   LYS  62           HA       LYS  62 -12.135 -11.487  23.328
  489   1HB   LYS  62          2HB       LYS  62 -13.048 -12.991  21.550
  490   2HB   LYS  62          1HB       LYS  62 -11.512 -13.858  21.535
  491   1HG   LYS  62          2HG       LYS  62 -11.815 -14.385  23.947
  492   2HG   LYS  62          1HG       LYS  62 -13.380 -13.574  23.909
  493   1HD   LYS  62          2HD       LYS  62 -14.133 -15.165  22.150
  494   2HD   LYS  62          1HD       LYS  62 -12.585 -16.001  22.272
  495   1HE   LYS  62          2HE       LYS  62 -14.011 -15.588  24.847
  496   2HE   LYS  62          1HE       LYS  62 -14.764 -16.734  23.722
  497   1HZ   LYS  62          2HZ       LYS  62 -11.860 -16.737  24.342
  498   2HZ   LYS  62          1HZ       LYS  62 -12.977 -17.690  25.195
  499   3HZ   LYS  62          3HZ       LYS  62 -12.749 -17.936  23.532
  500    H    GLU  63           HN       GLU  63  -9.089 -11.500  21.998
  501    HA   GLU  63           HA       GLU  63  -7.826 -13.297  23.975
  502   1HB   GLU  63          2HB       GLU  63  -7.264 -12.127  21.395
  503   2HB   GLU  63          1HB       GLU  63  -5.938 -11.777  22.504
  504   1HG   GLU  63          2HG       GLU  63  -5.731 -14.146  23.056
  505   2HG   GLU  63          1HG       GLU  63  -7.127 -14.528  22.043
  506    HA   PRO  64           HA       PRO  64  -7.253 -10.062  26.945
  507   1HB   PRO  64          2HB       PRO  64  -4.851 -11.330  27.896
  508   2HB   PRO  64          1HB       PRO  64  -6.459 -11.364  28.624
  509   1HG   PRO  64          2HG       PRO  64  -5.087 -13.497  27.273
  510   2HG   PRO  64          1HG       PRO  64  -6.694 -13.530  28.004
  511   1HD   PRO  64          2HD       PRO  64  -6.027 -13.546  25.196
  512   2HD   PRO  64          1HD       PRO  64  -7.647 -13.567  25.932
  513    H    ASN  65           HN       ASN  65  -4.869 -11.091  24.619
  514    HA   ASN  65           HA       ASN  65  -3.076  -8.798  25.159
  515   1HB   ASN  65          2HB       ASN  65  -3.064 -11.010  23.078
  516   2HB   ASN  65          1HB       ASN  65  -1.735  -9.892  23.386
  517   1HD2  ASN  65          1HD2      ASN  65  -1.767 -12.874  23.760
  518   2HD2  ASN  65          2HD2      ASN  65  -1.389 -13.131  25.395
  519    H    ALA  66           HN       ALA  66  -5.947  -9.229  23.471
  520    HA   ALA  66           HA       ALA  66  -5.676  -8.112  20.941
  521   1HB   ALA  66          2HB       ALA  66  -7.719  -8.775  22.553
  522   2HB   ALA  66          3HB       ALA  66  -7.952  -7.753  21.135
  523   3HB   ALA  66          1HB       ALA  66  -7.802  -7.023  22.735
  524    H    GLN  67           HN       GLN  67  -5.530  -6.446  24.072
  525    HA   GLN  67           HA       GLN  67  -5.597  -3.755  23.172
  526   1HB   GLN  67          2HB       GLN  67  -4.145  -5.123  25.460
  527   2HB   GLN  67          1HB       GLN  67  -4.349  -3.376  25.329
  528   1HG   GLN  67          2HG       GLN  67  -6.803  -3.667  25.297
  529   2HG   GLN  67          1HG       GLN  67  -6.597  -5.413  25.432
  530   1HE2  GLN  67          1HE2      GLN  67  -8.039  -4.121  27.450
  531   2HE2  GLN  67          2HE2      GLN  67  -7.123  -4.075  28.878
  532    H    GLU  68           HN       GLU  68  -2.801  -5.963  23.596
  533    HA   GLU  68           HA       GLU  68  -0.908  -3.990  22.546
  534   1HB   GLU  68          2HB       GLU  68  -0.738  -6.958  23.170
  535   2HB   GLU  68          1HB       GLU  68   0.648  -5.933  22.794
  536   1HG   GLU  68          2HG       GLU  68   0.090  -4.493  24.735
  537   2HG   GLU  68          1HG       GLU  68  -1.261  -5.558  25.123
  538    H    ILE  69           HN       ILE  69  -2.477  -6.969  21.360
  539    HA   ILE  69           HA       ILE  69  -1.141  -7.214  18.872
  540    HB   ILE  69           HB       ILE  69  -4.017  -7.792  19.659
  541   1HG1  ILE  69          2HG1      ILE  69  -1.565  -9.579  19.661
  542   2HG1  ILE  69          1HG1      ILE  69  -2.263  -8.835  21.100
  543   1HG2  ILE  69          2HG2      ILE  69  -2.671  -8.015  17.140
  544   2HG2  ILE  69          1HG2      ILE  69  -2.960  -9.641  17.761
  545   3HG2  ILE  69          3HG2      ILE  69  -4.309  -8.524  17.553
  546   1HD1  ILE  69          3HD1      ILE  69  -4.489  -9.972  20.163
  547   2HD1  ILE  69          2HD1      ILE  69  -3.325 -11.062  19.408
  548   3HD1  ILE  69          1HD1      ILE  69  -3.351 -10.877  21.162
  549    H    LEU  70           HN       LEU  70  -4.107  -5.392  19.687
  550    HA   LEU  70           HA       LEU  70  -4.898  -4.431  17.205
  551   1HB   LEU  70          2HB       LEU  70  -6.120  -3.894  19.189
  552   2HB   LEU  70          1HB       LEU  70  -4.718  -3.123  19.929
  553    HG   LEU  70           HG       LEU  70  -6.574  -1.616  18.867
  554   1HD1  LEU  70          2HD1      LEU  70  -4.001  -1.187  19.520
  555   2HD1  LEU  70          1HD1      LEU  70  -3.897  -0.895  17.785
  556   3HD1  LEU  70          3HD1      LEU  70  -5.002   0.057  18.774
  557   1HD2  LEU  70          3HD2      LEU  70  -6.276  -3.100  16.689
  558   2HD2  LEU  70          2HD2      LEU  70  -6.611  -1.374  16.558
  559   3HD2  LEU  70          1HD2      LEU  70  -4.963  -1.968  16.368
  560    H    GLN  71           HN       GLN  71  -2.574  -2.701  19.339
  561    HA   GLN  71           HA       GLN  71  -1.776  -0.669  17.598
  562   1HB   GLN  71          2HB       GLN  71  -0.102  -2.341  19.502
  563   2HB   GLN  71          1HB       GLN  71   0.348  -0.749  18.893
  564   1HG   GLN  71          2HG       GLN  71  -1.598   0.257  19.961
  565   2HG   GLN  71          1HG       GLN  71  -2.174  -1.329  20.476
  566   1HE2  GLN  71          1HE2      GLN  71  -1.887   0.186  22.623
  567   2HE2  GLN  71          2HE2      GLN  71  -0.417  -0.059  23.436
  568    H    ARG  72           HN       ARG  72  -0.137  -3.844  17.937
  569    HA   ARG  72           HA       ARG  72   1.737  -3.643  15.878
  570   1HB   ARG  72          2HB       ARG  72   0.014  -5.991  16.742
  571   2HB   ARG  72          1HB       ARG  72   1.496  -6.138  15.797
  572   1HG   ARG  72          2HG       ARG  72   2.723  -4.966  17.644
  573   2HG   ARG  72          1HG       ARG  72   1.238  -5.000  18.597
  574   1HD   ARG  72          2HD       ARG  72   1.222  -7.526  18.306
  575   2HD   ARG  72          1HD       ARG  72   2.849  -7.378  17.613
  576    HE   ARG  72           HE       ARG  72   2.240  -6.214  20.304
  577   1HH1  ARG  72          1HH1      ARG  72   3.083  -9.215  19.494
  578   2HH1  ARG  72          2HH1      ARG  72   4.712  -9.178  20.083
  579   1HH2  ARG  72          1HH2      ARG  72   4.758  -5.738  20.513
  580   2HH2  ARG  72          2HH2      ARG  72   5.661  -7.210  20.661
  581    H    LEU  73           HN       LEU  73  -1.598  -4.930  15.560
  582    HA   LEU  73           HA       LEU  73  -1.650  -5.398  12.795
  583   1HB   LEU  73          2HB       LEU  73  -3.789  -4.261  14.626
  584   2HB   LEU  73          1HB       LEU  73  -4.097  -5.027  13.068
  585    HG   LEU  73           HG       LEU  73  -2.916  -6.307  15.545
  586   1HD1  LEU  73          1HD1      LEU  73  -5.537  -6.012  14.706
  587   2HD1  LEU  73          3HD1      LEU  73  -5.107  -7.610  14.096
  588   3HD1  LEU  73          2HD1      LEU  73  -4.956  -7.253  15.816
  589   1HD2  LEU  73          2HD2      LEU  73  -2.719  -7.029  12.675
  590   2HD2  LEU  73          1HD2      LEU  73  -1.666  -7.465  14.021
  591   3HD2  LEU  73          3HD2      LEU  73  -3.177  -8.340  13.763
  592    H    GLU  74           HN       GLU  74  -2.506  -2.354  14.487
  593    HA   GLU  74           HA       GLU  74  -3.141  -0.752  12.275
  594   1HB   GLU  74          2HB       GLU  74  -1.612  -0.065  14.808
  595   2HB   GLU  74          1HB       GLU  74  -2.432   1.104  13.774
  596   1HG   GLU  74          2HG       GLU  74  -4.562  -0.226  14.139
  597   2HG   GLU  74          1HG       GLU  74  -3.688  -1.148  15.362
  598    H    GLU  75           HN       GLU  75   0.106  -1.064  13.796
  599    HA   GLU  75           HA       GLU  75   1.559   0.505  11.959
  600   1HB   GLU  75          2HB       GLU  75   2.312  -0.448  14.147
  601   2HB   GLU  75          1HB       GLU  75   2.412  -2.035  13.384
  602   1HG   GLU  75          2HG       GLU  75   4.033  -1.098  11.735
  603   2HG   GLU  75          1HG       GLU  75   3.983   0.439  12.599
  604    H    ILE  76           HN       ILE  76   1.222  -3.076  11.908
  605    HA   ILE  76           HA       ILE  76   2.508  -3.501   9.410
  606    HB   ILE  76           HB       ILE  76   0.243  -4.982  10.790
  607   1HG1  ILE  76          2HG1      ILE  76   2.211  -4.742  12.210
  608   2HG1  ILE  76          1HG1      ILE  76   2.121  -6.405  11.627
  609   1HG2  ILE  76          1HG2      ILE  76   0.527  -5.602   8.391
  610   2HG2  ILE  76          3HG2      ILE  76   2.225  -5.959   8.711
  611   3HG2  ILE  76          2HG2      ILE  76   0.963  -6.920   9.480
  612   1HD1  ILE  76          1HD1      ILE  76   3.581  -5.252   9.635
  613   2HD1  ILE  76          3HD1      ILE  76   4.105  -4.292  11.019
  614   3HD1  ILE  76          2HD1      ILE  76   4.298  -6.044  11.038
  615    H    ALA  77           HN       ALA  77  -0.910  -2.854  10.171
  616    HA   ALA  77           HA       ALA  77  -2.072  -3.194   7.628
  617   1HB   ALA  77          2HB       ALA  77  -3.303  -2.726   9.697
  618   2HB   ALA  77          1HB       ALA  77  -2.583  -1.118   9.785
  619   3HB   ALA  77          3HB       ALA  77  -3.711  -1.509   8.488
  620    H    GLU  78           HN       GLU  78  -0.230  -0.455   8.927
  621    HA   GLU  78           HA       GLU  78  -0.676   1.388   6.785
  622   1HB   GLU  78          2HB       GLU  78   0.276   1.851   9.058
  623   2HB   GLU  78          1HB       GLU  78   1.755   1.024   8.568
  624   1HG   GLU  78          2HG       GLU  78   1.990   2.644   6.683
  625   2HG   GLU  78          1HG       GLU  78   0.571   3.504   7.284
  626    H    ASP  79           HN       ASP  79   1.902  -1.045   7.308
  627    HA   ASP  79           HA       ASP  79   2.476  -0.910   4.372
  628   1HB   ASP  79          2HB       ASP  79   4.030   0.363   6.097
  629   2HB   ASP  79          1HB       ASP  79   4.669  -1.254   6.394
  630    HA   PRO  80           HA       PRO  80   2.090  -5.297   4.606
  631   1HB   PRO  80          2HB       PRO  80   4.069  -5.656   2.549
  632   2HB   PRO  80          1HB       PRO  80   2.313  -5.727   2.393
  633   1HG   PRO  80          2HG       PRO  80   4.096  -3.664   1.467
  634   2HG   PRO  80          1HG       PRO  80   2.344  -3.756   1.274
  635   1HD   PRO  80          2HD       PRO  80   3.829  -1.976   2.976
  636   2HD   PRO  80          1HD       PRO  80   2.061  -2.115   2.833
  637    H    GLY  81           HN       GLY  81   5.447  -4.080   4.138
  638   1HA   GLY  81          1HA       GLY  81   6.326  -5.493   6.542
  639   2HA   GLY  81          2HA       GLY  81   7.346  -4.523   5.478
  640    H    THR  82           HN       THR  82   7.440  -7.434   6.596
  641    HA   THR  82           HA       THR  82   8.674  -8.599   4.222
  642    HB   THR  82           HB       THR  82   9.180 -10.414   5.777
  643    HG1  THR  82          1HG       THR  82   8.164 -10.500   7.770
  644   1HG2  THR  82          1HG2      THR  82   9.296  -7.633   6.943
  645   2HG2  THR  82          3HG2      THR  82  10.029  -9.017   7.752
  646   3HG2  THR  82          2HG2      THR  82  10.585  -8.537   6.149
  647    H    CYS  83           HN       CYS  83   5.565  -8.721   5.783
  648    HA   CYS  83           HA       CYS  83   4.449 -11.147   5.005
  649   1HB   CYS  83          2HB       CYS  83   3.448  -9.197   6.292
  650   2HB   CYS  83          1HB       CYS  83   3.137  -8.425   4.737
  651    H    GLU  84           HN       GLU  84   4.418  -8.153   3.032
  652    HA   GLU  84           HA       GLU  84   3.289  -9.286   0.691
  653   1HB   GLU  84          2HB       GLU  84   3.521  -6.879   1.240
  654   2HB   GLU  84          1HB       GLU  84   5.264  -7.008   1.004
  655   1HG   GLU  84          2HG       GLU  84   4.854  -7.759  -1.341
  656   2HG   GLU  84          1HG       GLU  84   3.126  -7.510  -1.089
  657    H    ILE  85           HN       ILE  85   6.726  -9.097   1.695
  658    HA   ILE  85           HA       ILE  85   7.594 -10.233  -0.884
  659    HB   ILE  85           HB       ILE  85   9.825  -9.933   0.092
  660   1HG1  ILE  85          2HG1      ILE  85   8.263  -9.420   2.632
  661   2HG1  ILE  85          1HG1      ILE  85   9.460 -10.684   2.350
  662   1HG2  ILE  85          3HG2      ILE  85   8.120  -7.945  -0.566
  663   2HG2  ILE  85          2HG2      ILE  85   8.432  -7.512   1.115
  664   3HG2  ILE  85          1HG2      ILE  85   9.772  -7.641  -0.025
  665   1HD1  ILE  85          3HD1      ILE  85  10.915  -8.469   1.726
  666   2HD1  ILE  85          2HD1      ILE  85   9.846  -7.813   2.966
  667   3HD1  ILE  85          1HD1      ILE  85  10.882  -9.192   3.334
  668    H    CYS  86           HN       CYS  86   6.012 -11.639   1.538
  669    HA   CYS  86           HA       CYS  86   5.901 -13.840   2.390
  670   1HB   CYS  86          2HB       CYS  86   7.405 -14.120  -0.223
  671   2HB   CYS  86          1HB       CYS  86   6.836 -15.508   0.704
  672    H    ALA  87           HN       ALA  87   8.441 -12.077   2.889
  673    HA   ALA  87           HA       ALA  87  10.591 -14.027   3.242
  674   1HB   ALA  87          3HB       ALA  87  10.122 -11.186   4.203
  675   2HB   ALA  87          2HB       ALA  87  11.646 -12.053   4.392
  676   3HB   ALA  87          1HB       ALA  87  11.040 -11.675   2.779
  677    H    TYR  88           HN       TYR  88   7.734 -13.426   4.893
  678    HA   TYR  88           HA       TYR  88   8.760 -14.820   7.315
  679   1HB   TYR  88          2HB       TYR  88   8.901 -12.347   7.638
  680   2HB   TYR  88          1HB       TYR  88   7.169 -12.235   7.323
  681    HD1  TYR  88           HD1      TYR  88   9.212 -14.692   9.289
  682    HD2  TYR  88           HD2      TYR  88   6.073 -11.760   9.330
  683    HE1  TYR  88           HE1      TYR  88   8.745 -15.223  11.667
  684    HE2  TYR  88           HE2      TYR  88   5.606 -12.291  11.707
  685    HH   TYR  88           HH       TYR  88   7.722 -14.092  13.635
  686    H    ALA  89           HN       ALA  89   6.887 -15.581   8.679
  687    HA   ALA  89           HA       ALA  89   4.812 -16.766   7.017
  688   1HB   ALA  89          1HB       ALA  89   5.430 -18.122   8.786
  689   2HB   ALA  89          2HB       ALA  89   4.050 -17.314   9.529
  690   3HB   ALA  89          3HB       ALA  89   5.687 -16.758   9.874
  691    H    ALA  90           HN       ALA  90   5.097 -13.664   8.076
  692    HA   ALA  90           HA       ALA  90   2.595 -13.049   9.305
  693   1HB   ALA  90          2HB       ALA  90   4.817 -11.684   7.913
  694   2HB   ALA  90          3HB       ALA  90   4.013 -11.262   9.425
  695   3HB   ALA  90          1HB       ALA  90   3.285 -10.812   7.883
  696    H    CYS  91           HN       CYS  91   3.499 -13.472   5.905
  697    HA   CYS  91           HA       CYS  91   0.708 -12.754   5.095
  698   1HB   CYS  91          2HB       CYS  91   3.352 -12.270   4.088
  699   2HB   CYS  91          1HB       CYS  91   2.441 -13.170   2.879
  700    H    THR  92           HN       THR  92  -0.618 -14.459   4.688
  701    HA   THR  92           HA       THR  92   0.603 -17.109   4.041
  702    HB   THR  92           HB       THR  92  -1.388 -18.014   5.009
  703    HG1  THR  92          1HG       THR  92  -2.819 -16.588   3.914
  704   1HG2  THR  92          2HG2      THR  92  -0.515 -15.501   6.451
  705   2HG2  THR  92          1HG2      THR  92  -1.594 -16.698   7.168
  706   3HG2  THR  92          3HG2      THR  92   0.052 -17.148   6.723
  707    H    GLY  93           HN       GLY  93  -0.200 -18.290   2.219
  708   1HA   GLY  93          1HA       GLY  93  -2.077 -16.851   0.412
  709   2HA   GLY  93          2HA       GLY  93  -1.683 -18.567   0.312
  710    H    CYS  94           HN       CYS  94   1.107 -16.813   0.909
  711    HA   CYS  94           HA       CYS  94   1.918 -15.612  -1.467
  712   1HB   CYS  94          2HB       CYS  94   3.296 -17.300   0.614
  713   2HB   CYS  94          1HB       CYS  94   4.212 -16.635  -0.738

  No H/Q in entry =         713
  Start of MODEL    3
    1    H1   VAL   1          1H        VAL   1  -2.620 -12.288  -0.148
    2    H2   VAL   1          3H        VAL   1  -1.291 -12.433  -1.191
    3    H3   VAL   1          2H        VAL   1  -1.524 -13.571   0.049
    4    HA   VAL   1           HA       VAL   1   0.034 -12.293   1.086
    5    HB   VAL   1           HB       VAL   1   0.062  -9.779   0.494
    6   1HG1  VAL   1          2HG1      VAL   1   1.628 -11.428  -0.472
    7   2HG1  VAL   1          1HG1      VAL   1   0.440 -11.831  -1.710
    8   3HG1  VAL   1          3HG1      VAL   1   1.163 -10.223  -1.672
    9   1HG2  VAL   1          3HG2      VAL   1  -2.404 -10.254  -0.509
   10   2HG2  VAL   1          2HG2      VAL   1  -1.367  -8.957  -1.099
   11   3HG2  VAL   1          1HG2      VAL   1  -1.444 -10.489  -1.969
   12    H    THR   2           HN       THR   2  -1.454 -12.913   2.877
   13    HA   THR   2           HA       THR   2  -3.073 -10.585   3.865
   14    HB   THR   2           HB       THR   2  -3.490 -13.547   4.366
   15    HG1  THR   2          1HG       THR   2  -5.393 -12.825   2.908
   16   1HG2  THR   2          1HG2      THR   2  -5.231 -11.110   4.833
   17   2HG2  THR   2          3HG2      THR   2  -5.742 -12.780   5.081
   18   3HG2  THR   2          2HG2      THR   2  -4.460 -12.093   6.076
   19    H    VAL   3           HN       VAL   3  -2.806 -10.041   6.059
   20    HA   VAL   3           HA       VAL   3  -0.369 -11.091   7.365
   21    HB   VAL   3           HB       VAL   3  -2.360  -8.919   8.100
   22   1HG1  VAL   3          3HG1      VAL   3  -0.689 -10.098   9.843
   23   2HG1  VAL   3          2HG1      VAL   3   0.444  -8.962   9.111
   24   3HG1  VAL   3          1HG1      VAL   3  -1.021  -8.367   9.891
   25   1HG2  VAL   3          2HG2      VAL   3  -0.867  -8.811   5.934
   26   2HG2  VAL   3          1HG2      VAL   3  -0.970  -7.404   6.992
   27   3HG2  VAL   3          3HG2      VAL   3   0.430  -8.474   7.079
   28    H    GLN   4           HN       GLN   4  -0.540 -12.822   8.735
   29    HA   GLN   4           HA       GLN   4  -3.155 -13.253  10.138
   30   1HB   GLN   4          2HB       GLN   4  -2.637 -15.605  10.000
   31   2HB   GLN   4          1HB       GLN   4  -2.332 -14.915   8.407
   32   1HG   GLN   4          2HG       GLN   4   0.044 -14.839   8.814
   33   2HG   GLN   4          1HG       GLN   4  -0.180 -15.258  10.513
   34   1HE2  GLN   4          1HE2      GLN   4   1.370 -17.109   9.822
   35   2HE2  GLN   4          2HE2      GLN   4   0.661 -18.512   9.181
   36    H    ASP   5           HN       ASP   5  -3.126 -13.500  12.344
   37    HA   ASP   5           HA       ASP   5  -0.484 -13.153  13.724
   38   1HB   ASP   5          2HB       ASP   5  -1.864 -12.171  15.529
   39   2HB   ASP   5          1HB       ASP   5  -2.164 -11.356  13.994
   40    H    GLY   6           HN       GLY   6  -2.251 -15.636  12.830
   41   1HA   GLY   6          1HA       GLY   6  -3.049 -17.016  15.189
   42   2HA   GLY   6          2HA       GLY   6  -1.368 -17.428  14.850
   43    H    ASN   7           HN       ASN   7  -4.157 -18.830  14.538
   44    HA   ASN   7           HA       ASN   7  -3.411 -20.305  12.112
   45   1HB   ASN   7          2HB       ASN   7  -5.732 -20.472  14.061
   46   2HB   ASN   7          1HB       ASN   7  -5.398 -21.663  12.804
   47   1HD2  ASN   7          1HD2      ASN   7  -5.357 -22.426  15.550
   48   2HD2  ASN   7          2HD2      ASN   7  -3.758 -22.788  15.993
   49    H    PHE   8           HN       PHE   8  -4.914 -17.407  12.508
   50    HA   PHE   8           HA       PHE   8  -6.757 -17.865  10.182
   51   1HB   PHE   8          2HB       PHE   8  -6.966 -15.931  12.515
   52   2HB   PHE   8          1HB       PHE   8  -8.149 -16.103  11.218
   53    HD1  PHE   8           HD1      PHE   8  -6.649 -17.716  14.182
   54    HD2  PHE   8           HD2      PHE   8  -9.623 -18.033  11.099
   55    HE1  PHE   8           HE1      PHE   8  -7.724 -19.584  15.411
   56    HE2  PHE   8           HE2      PHE   8 -10.696 -19.901  12.327
   57    HZ   PHE   8           HZ       PHE   8  -9.747 -20.676  14.482
   58    H    SER   9           HN       SER   9  -6.797 -16.158   8.601
   59    HA   SER   9           HA       SER   9  -4.366 -14.421   8.639
   60   1HB   SER   9          2HB       SER   9  -5.020 -16.169   6.812
   61   2HB   SER   9          1HB       SER   9  -6.184 -14.951   6.292
   62    HG   SER   9           HG       SER   9  -3.572 -14.125   6.779
   63    H    PHE  10           HN       PHE  10  -4.605 -12.204   8.692
   64    HA   PHE  10           HA       PHE  10  -7.392 -11.110   8.464
   65   1HB   PHE  10          2HB       PHE  10  -5.052 -10.309  10.225
   66   2HB   PHE  10          1HB       PHE  10  -6.599  -9.463  10.171
   67    HD1  PHE  10           HD1      PHE  10  -8.494 -11.724   9.906
   68    HD2  PHE  10           HD2      PHE  10  -5.000 -11.305  12.371
   69    HE1  PHE  10           HE1      PHE  10  -9.442 -13.343  11.526
   70    HE2  PHE  10           HE2      PHE  10  -5.954 -12.924  13.991
   71    HZ   PHE  10           HZ       PHE  10  -8.173 -13.939  13.570
   72    H    SER  11           HN       SER  11  -7.640  -9.457   6.992
   73    HA   SER  11           HA       SER  11  -5.451  -8.704   5.242
   74   1HB   SER  11          2HB       SER  11  -8.246  -7.580   5.640
   75   2HB   SER  11          1HB       SER  11  -7.220  -7.290   4.236
   76    HG   SER  11           HG       SER  11  -7.778  -9.916   5.047
   77    H    LEU  12           HN       LEU  12  -4.912  -6.329   4.874
   78    HA   LEU  12           HA       LEU  12  -4.404  -5.023   7.491
   79   1HB   LEU  12          2HB       LEU  12  -3.420  -4.533   4.662
   80   2HB   LEU  12          1HB       LEU  12  -2.838  -3.670   6.086
   81    HG   LEU  12           HG       LEU  12  -2.318  -6.002   7.060
   82   1HD1  LEU  12          3HD1      LEU  12  -3.084  -6.631   4.238
   83   2HD1  LEU  12          2HD1      LEU  12  -1.751  -7.535   4.956
   84   3HD1  LEU  12          1HD1      LEU  12  -3.347  -7.572   5.706
   85   1HD2  LEU  12          3HD2      LEU  12  -0.818  -4.952   4.643
   86   2HD2  LEU  12          2HD2      LEU  12  -0.551  -4.493   6.324
   87   3HD2  LEU  12          1HD2      LEU  12  -0.170  -6.128   5.787
   88    H    GLU  13           HN       GLU  13  -6.518  -4.742   4.779
   89    HA   GLU  13           HA       GLU  13  -6.980  -1.905   4.771
   90   1HB   GLU  13          2HB       GLU  13  -8.735  -4.279   4.064
   91   2HB   GLU  13          1HB       GLU  13  -9.098  -2.609   3.630
   92   1HG   GLU  13          2HG       GLU  13  -6.930  -2.490   2.409
   93   2HG   GLU  13          1HG       GLU  13  -6.653  -4.191   2.782
   94    H    SER  14           HN       SER  14  -9.269  -4.380   5.972
   95    HA   SER  14           HA       SER  14 -11.001  -2.844   7.445
   96   1HB   SER  14          2HB       SER  14  -9.767  -5.392   8.508
   97   2HB   SER  14          1HB       SER  14 -11.428  -4.835   8.702
   98    HG   SER  14           HG       SER  14 -10.915  -6.481   7.003
   99    H    VAL  15           HN       VAL  15  -7.942  -4.170   8.805
  100    HA   VAL  15           HA       VAL  15  -8.133  -2.888  11.327
  101    HB   VAL  15           HB       VAL  15  -5.652  -3.242  11.336
  102   1HG1  VAL  15          1HG1      VAL  15  -7.636  -5.057  11.451
  103   2HG1  VAL  15          3HG1      VAL  15  -6.773  -5.678  10.042
  104   3HG1  VAL  15          2HG1      VAL  15  -5.934  -5.508  11.585
  105   1HG2  VAL  15          2HG2      VAL  15  -6.168  -3.976   8.440
  106   2HG2  VAL  15          1HG2      VAL  15  -5.131  -2.678   9.032
  107   3HG2  VAL  15          3HG2      VAL  15  -4.684  -4.361   9.312
  108    H    LYS  16           HN       LYS  16  -6.618  -1.752   8.288
  109    HA   LYS  16           HA       LYS  16  -5.601   0.723   9.201
  110   1HB   LYS  16          2HB       LYS  16  -5.322  -0.347   6.942
  111   2HB   LYS  16          1HB       LYS  16  -6.985   0.107   6.567
  112   1HG   LYS  16          2HG       LYS  16  -6.390   2.494   6.974
  113   2HG   LYS  16          1HG       LYS  16  -4.716   2.005   7.241
  114   1HD   LYS  16          2HD       LYS  16  -4.687   1.013   4.947
  115   2HD   LYS  16          1HD       LYS  16  -6.316   1.637   4.691
  116   1HE   LYS  16          2HE       LYS  16  -4.104   3.498   5.562
  117   2HE   LYS  16          1HE       LYS  16  -4.316   3.086   3.850
  118   1HZ   LYS  16          2HZ       LYS  16  -6.774   3.569   4.295
  119   2HZ   LYS  16          1HZ       LYS  16  -6.243   4.368   5.697
  120   3HZ   LYS  16          3HZ       LYS  16  -5.730   4.903   4.172
  121    H    LYS  17           HN       LYS  17  -8.787   0.139   7.653
  122    HA   LYS  17           HA       LYS  17  -9.827   2.734   8.531
  123   1HB   LYS  17          2HB       LYS  17 -11.078   0.284   7.241
  124   2HB   LYS  17          1HB       LYS  17 -11.872   1.851   7.401
  125   1HG   LYS  17          2HG       LYS  17 -10.036   2.888   6.080
  126   2HG   LYS  17          1HG       LYS  17  -9.307   1.294   5.877
  127   1HD   LYS  17          2HD       LYS  17 -11.413   0.513   4.789
  128   2HD   LYS  17          1HD       LYS  17 -12.052   2.152   4.911
  129   1HE   LYS  17          2HE       LYS  17  -9.403   2.203   3.729
  130   2HE   LYS  17          1HE       LYS  17 -10.476   1.127   2.813
  131   1HZ   LYS  17          1HZ       LYS  17 -11.470   3.722   3.801
  132   2HZ   LYS  17          3HZ       LYS  17 -10.559   3.671   2.372
  133   3HZ   LYS  17          2HZ       LYS  17 -12.013   2.801   2.482
  134    H    LEU  18           HN       LEU  18  -9.090   0.206  10.367
  135    HA   LEU  18           HA       LEU  18 -11.501  -0.589  11.690
  136   1HB   LEU  18          2HB       LEU  18  -9.075  -1.520  11.638
  137   2HB   LEU  18          1HB       LEU  18  -8.755  -0.360  12.926
  138    HG   LEU  18           HG       LEU  18 -11.010  -2.375  13.042
  139   1HD1  LEU  18          2HD1      LEU  18  -8.099  -2.610  13.667
  140   2HD1  LEU  18          1HD1      LEU  18  -9.228  -3.315  14.827
  141   3HD1  LEU  18          3HD1      LEU  18  -9.241  -3.852  13.147
  142   1HD2  LEU  18          1HD2      LEU  18  -9.718  -0.445  14.969
  143   2HD2  LEU  18          3HD2      LEU  18 -11.429  -0.631  14.583
  144   3HD2  LEU  18          2HD2      LEU  18 -10.606  -1.853  15.553
  145    H    LYS  19           HN       LYS  19  -9.219   2.087  12.239
  146    HA   LYS  19           HA       LYS  19 -10.110   2.976  14.769
  147   1HB   LYS  19          2HB       LYS  19  -8.125   3.752  13.458
  148   2HB   LYS  19          1HB       LYS  19  -9.216   4.635  12.389
  149   1HG   LYS  19          2HG       LYS  19 -10.042   5.947  14.308
  150   2HG   LYS  19          1HG       LYS  19  -8.965   5.058  15.384
  151   1HD   LYS  19          2HD       LYS  19  -7.022   5.872  14.024
  152   2HD   LYS  19          1HD       LYS  19  -8.142   6.858  13.084
  153   1HE   LYS  19          2HE       LYS  19  -8.216   8.447  14.709
  154   2HE   LYS  19          1HE       LYS  19  -8.510   7.232  15.967
  155   1HZ   LYS  19          2HZ       LYS  19  -5.867   7.277  14.712
  156   2HZ   LYS  19          1HZ       LYS  19  -6.222   8.536  15.796
  157   3HZ   LYS  19          3HZ       LYS  19  -6.295   6.924  16.318
  158    H    ASP  20           HN       ASP  20 -11.287   3.989  11.533
  159    HA   ASP  20           HA       ASP  20 -13.844   4.828  12.851
  160   1HB   ASP  20          2HB       ASP  20 -12.158   6.284  10.792
  161   2HB   ASP  20          1HB       ASP  20 -13.780   6.786  11.267
  162    H    LEU  21           HN       LEU  21 -15.703   4.722  11.418
  163    HA   LEU  21           HA       LEU  21 -15.273   2.924   9.055
  164   1HB   LEU  21          2HB       LEU  21 -17.699   3.319  10.840
  165   2HB   LEU  21          1HB       LEU  21 -17.534   2.109   9.568
  166    HG   LEU  21           HG       LEU  21 -15.444   2.200  11.707
  167   1HD1  LEU  21          1HD1      LEU  21 -17.777   2.319  12.777
  168   2HD1  LEU  21          3HD1      LEU  21 -18.051   0.719  12.088
  169   3HD1  LEU  21          2HD1      LEU  21 -16.758   0.963  13.262
  170   1HD2  LEU  21          3HD2      LEU  21 -16.701   0.187   9.860
  171   2HD2  LEU  21          2HD2      LEU  21 -14.996   0.580  10.077
  172   3HD2  LEU  21          1HD2      LEU  21 -15.846  -0.361  11.303
  173    H    GLN  22           HN       GLN  22 -15.630   3.948   7.125
  174    HA   GLN  22           HA       GLN  22 -17.733   6.078   7.008
  175   1HB   GLN  22          2HB       GLN  22 -14.914   6.150   5.881
  176   2HB   GLN  22          1HB       GLN  22 -16.136   7.396   5.625
  177   1HG   GLN  22          2HG       GLN  22 -16.271   7.718   8.095
  178   2HG   GLN  22          1HG       GLN  22 -14.969   6.545   8.292
  179   1HE2  GLN  22          1HE2      GLN  22 -12.832   7.312   8.041
  180   2HE2  GLN  22          2HE2      GLN  22 -12.440   8.874   7.507
  181    H    GLU  23           HN       GLU  23 -18.562   6.396   4.790
  182    HA   GLU  23           HA       GLU  23 -19.394   5.521   2.754
  183   1HB   GLU  23          2HB       GLU  23 -16.519   5.353   2.900
  184   2HB   GLU  23          1HB       GLU  23 -17.134   3.999   1.952
  185   1HG   GLU  23          2HG       GLU  23 -18.619   5.818   0.796
  186   2HG   GLU  23          1HG       GLU  23 -17.439   6.952   1.454
  187    HA   PRO  24           HA       PRO  24 -20.825   1.377   3.039
  188   1HB   PRO  24          2HB       PRO  24 -19.608   0.278   0.673
  189   2HB   PRO  24          1HB       PRO  24 -21.271   0.829   0.887
  190   1HG   PRO  24          2HG       PRO  24 -19.148   2.103  -0.588
  191   2HG   PRO  24          1HG       PRO  24 -20.825   2.625  -0.423
  192   1HD   PRO  24          2HD       PRO  24 -18.502   3.834   0.744
  193   2HD   PRO  24          1HD       PRO  24 -20.199   4.301   0.994
  194    H    GLN  25           HN       GLN  25 -20.006  -1.042   2.991
  195    HA   GLN  25           HA       GLN  25 -18.029  -1.528   4.838
  196   1HB   GLN  25          2HB       GLN  25 -18.778  -3.080   2.346
  197   2HB   GLN  25          1HB       GLN  25 -17.819  -3.758   3.662
  198   1HG   GLN  25          2HG       GLN  25 -19.657  -3.281   5.244
  199   2HG   GLN  25          1HG       GLN  25 -20.616  -2.606   3.926
  200   1HE2  GLN  25          1HE2      GLN  25 -21.642  -4.812   5.346
  201   2HE2  GLN  25          2HE2      GLN  25 -21.607  -6.188   4.353
  202    H    GLU  26           HN       GLU  26 -17.128  -2.475   1.555
  203    HA   GLU  26           HA       GLU  26 -14.572  -0.936   1.874
  204   1HB   GLU  26          2HB       GLU  26 -15.090  -3.795   1.015
  205   2HB   GLU  26          1HB       GLU  26 -13.544  -2.987   0.754
  206   1HG   GLU  26          2HG       GLU  26 -12.979  -3.087   2.959
  207   2HG   GLU  26          1HG       GLU  26 -14.624  -2.746   3.496
  208    HA   PRO  27           HA       PRO  27 -16.686   0.108  -2.138
  209   1HB   PRO  27          2HB       PRO  27 -15.556   2.729  -1.785
  210   2HB   PRO  27          1HB       PRO  27 -17.256   2.258  -1.703
  211   1HG   PRO  27          2HG       PRO  27 -15.549   3.045   0.460
  212   2HG   PRO  27          1HG       PRO  27 -17.233   2.526   0.549
  213   1HD   PRO  27          2HD       PRO  27 -14.866   1.077   1.386
  214   2HD   PRO  27          1HD       PRO  27 -16.569   0.588   1.548
  215    H    ARG  28           HN       ARG  28 -15.549  -0.157  -4.049
  216    HA   ARG  28           HA       ARG  28 -13.644  -0.580  -5.410
  217   1HB   ARG  28          2HB       ARG  28 -14.082   1.879  -5.463
  218   2HB   ARG  28          1HB       ARG  28 -12.950   2.082  -4.126
  219   1HG   ARG  28          2HG       ARG  28 -11.708   2.528  -6.126
  220   2HG   ARG  28          1HG       ARG  28 -11.213   0.923  -5.589
  221   1HD   ARG  28          2HD       ARG  28 -12.868  -0.081  -7.177
  222   2HD   ARG  28          1HD       ARG  28 -13.241   1.550  -7.767
  223    HE   ARG  28           HE       ARG  28 -10.422   1.267  -7.819
  224   1HH1  ARG  28          1HH1      ARG  28 -11.959  -1.407  -8.729
  225   2HH1  ARG  28          2HH1      ARG  28 -11.724  -1.256 -10.439
  226   1HH2  ARG  28          1HH2      ARG  28 -10.655   2.038 -10.271
  227   2HH2  ARG  28          2HH2      ARG  28 -10.986   0.693 -11.311
  228    H    VAL  29           HN       VAL  29 -12.749  -2.380  -4.163
  229    HA   VAL  29           HA       VAL  29 -11.210  -2.393  -1.869
  230    HB   VAL  29           HB       VAL  29 -11.741  -4.374  -3.184
  231   1HG1  VAL  29          3HG1      VAL  29 -11.306  -2.998  -5.381
  232   2HG1  VAL  29          2HG1      VAL  29  -9.662  -3.618  -5.220
  233   3HG1  VAL  29          1HG1      VAL  29 -11.015  -4.738  -5.377
  234   1HG2  VAL  29          1HG2      VAL  29  -9.510  -4.127  -1.803
  235   2HG2  VAL  29          3HG2      VAL  29  -9.762  -5.549  -2.814
  236   3HG2  VAL  29          2HG2      VAL  29  -8.749  -4.225  -3.391
  237    H    GLY  30           HN       GLY  30  -9.423  -1.245  -1.257
  238   1HA   GLY  30          1HA       GLY  30  -7.649   0.315  -1.504
  239   2HA   GLY  30          2HA       GLY  30  -7.886   0.263  -3.251
  240    H    LYS  31           HN       LYS  31  -6.475  -0.965  -4.433
  241    HA   LYS  31           HA       LYS  31  -5.251  -3.401  -3.604
  242   1HB   LYS  31          2HB       LYS  31  -4.448  -1.282  -5.622
  243   2HB   LYS  31          1HB       LYS  31  -3.759  -2.904  -5.562
  244   1HG   LYS  31          2HG       LYS  31  -6.057  -3.844  -5.847
  245   2HG   LYS  31          1HG       LYS  31  -6.674  -2.201  -6.024
  246   1HD   LYS  31          2HD       LYS  31  -5.109  -1.879  -7.954
  247   2HD   LYS  31          1HD       LYS  31  -4.646  -3.574  -7.815
  248   1HE   LYS  31          2HE       LYS  31  -6.846  -4.324  -8.391
  249   2HE   LYS  31          1HE       LYS  31  -7.530  -2.702  -8.170
  250   1HZ   LYS  31          2HZ       LYS  31  -5.274  -3.017 -10.016
  251   2HZ   LYS  31          1HZ       LYS  31  -6.796  -3.561 -10.540
  252   3HZ   LYS  31          3HZ       LYS  31  -6.585  -1.939 -10.088
  253    H    LEU  32           HN       LEU  32  -4.303  -0.037  -3.125
  254    HA   LEU  32           HA       LEU  32  -1.757  -0.965  -1.842
  255   1HB   LEU  32          2HB       LEU  32  -2.590   1.748  -2.917
  256   2HB   LEU  32          1HB       LEU  32  -0.982   1.314  -2.336
  257    HG   LEU  32           HG       LEU  32  -2.422   0.110  -4.720
  258   1HD1  LEU  32          2HD1      LEU  32  -1.166   2.471  -4.689
  259   2HD1  LEU  32          1HD1      LEU  32   0.252   1.436  -4.854
  260   3HD1  LEU  32          3HD1      LEU  32  -1.030   1.372  -6.062
  261   1HD2  LEU  32          1HD2      LEU  32  -0.067  -0.742  -3.125
  262   2HD2  LEU  32          3HD2      LEU  32  -1.173  -1.709  -4.101
  263   3HD2  LEU  32          2HD2      LEU  32   0.125  -0.801  -4.876
  264    H    ARG  33           HN       ARG  33  -1.475  -0.570   0.323
  265    HA   ARG  33           HA       ARG  33  -3.504   1.146   1.721
  266   1HB   ARG  33          2HB       ARG  33  -2.045  -1.257   2.854
  267   2HB   ARG  33          1HB       ARG  33  -3.495  -0.478   3.488
  268   1HG   ARG  33          2HG       ARG  33  -4.799  -1.235   1.584
  269   2HG   ARG  33          1HG       ARG  33  -3.353  -1.871   0.796
  270   1HD   ARG  33          2HD       ARG  33  -3.060  -3.371   2.858
  271   2HD   ARG  33          1HD       ARG  33  -4.712  -2.900   3.303
  272    HE   ARG  33           HE       ARG  33  -5.490  -3.889   1.188
  273   1HH1  ARG  33          1HH1      ARG  33  -4.029  -6.160   2.461
  274   2HH1  ARG  33          2HH1      ARG  33  -2.996  -6.700   1.180
  275   1HH2  ARG  33          1HH2      ARG  33  -3.356  -3.804  -0.689
  276   2HH2  ARG  33          2HH2      ARG  33  -2.616  -5.367  -0.601
  277    H    ASN  34           HN       ASN  34  -2.601   2.748   3.053
  278    HA   ASN  34           HA       ASN  34   0.174   2.465   4.011
  279   1HB   ASN  34          2HB       ASN  34   0.137   3.271   1.577
  280   2HB   ASN  34          1HB       ASN  34  -0.554   4.769   2.202
  281   1HD2  ASN  34          1HD2      ASN  34   1.821   5.241   1.067
  282   2HD2  ASN  34          2HD2      ASN  34   3.078   5.372   2.198
  283    H    PHE  35           HN       PHE  35  -2.008   5.213   3.367
  284    HA   PHE  35           HA       PHE  35  -1.426   6.645   5.738
  285   1HB   PHE  35          2HB       PHE  35  -2.915   6.976   3.458
  286   2HB   PHE  35          1HB       PHE  35  -4.173   6.860   4.689
  287    HD1  PHE  35           HD1      PHE  35  -3.625   8.222   6.931
  288    HD2  PHE  35           HD2      PHE  35  -1.985   9.073   3.053
  289    HE1  PHE  35           HE1      PHE  35  -3.137  10.545   7.648
  290    HE2  PHE  35           HE2      PHE  35  -1.497  11.397   3.771
  291    HZ   PHE  35           HZ       PHE  35  -2.073  12.133   6.067
  292    H    ALA  36           HN       ALA  36  -1.482   4.559   7.188
  293    HA   ALA  36           HA       ALA  36  -4.139   3.635   8.018
  294   1HB   ALA  36          3HB       ALA  36  -1.496   2.742   8.130
  295   2HB   ALA  36          2HB       ALA  36  -1.887   3.114   9.809
  296   3HB   ALA  36          1HB       ALA  36  -2.878   1.969   8.907
  297    HA   PRO  37           HA       PRO  37  -4.991   6.552  11.193
  298   1HB   PRO  37          2HB       PRO  37  -5.589   4.588  13.208
  299   2HB   PRO  37          1HB       PRO  37  -6.720   5.488  12.195
  300   1HG   PRO  37          2HG       PRO  37  -6.082   2.708  12.041
  301   2HG   PRO  37          1HG       PRO  37  -7.148   3.627  10.978
  302   1HD   PRO  37          2HD       PRO  37  -4.491   2.581  10.407
  303   2HD   PRO  37          1HD       PRO  37  -5.623   3.388   9.296
  304    H    ILE  38           HN       ILE  38  -2.417   4.385  11.433
  305    HA   ILE  38           HA       ILE  38  -0.385   4.567  12.635
  306    HB   ILE  38           HB       ILE  38  -1.689   6.899  14.053
  307   1HG1  ILE  38          2HG1      ILE  38  -0.080   7.406  11.617
  308   2HG1  ILE  38          1HG1      ILE  38  -1.677   6.714  11.336
  309   1HG2  ILE  38          3HG2      ILE  38   1.070   5.871  13.599
  310   2HG2  ILE  38          2HG2      ILE  38   0.855   7.621  13.595
  311   3HG2  ILE  38          1HG2      ILE  38   0.390   6.678  15.012
  312   1HD1  ILE  38          1HD1      ILE  38  -2.635   8.510  12.818
  313   2HD1  ILE  38          3HD1      ILE  38  -1.034   9.247  12.870
  314   3HD1  ILE  38          2HD1      ILE  38  -1.898   9.126  11.338
  315    HA   PRO  39           HA       PRO  39  -1.861   2.068  16.038
  316   1HB   PRO  39          2HB       PRO  39   0.881   1.688  16.820
  317   2HB   PRO  39          1HB       PRO  39  -0.178   0.553  15.979
  318   1HG   PRO  39          2HG       PRO  39   2.054   2.003  14.907
  319   2HG   PRO  39          1HG       PRO  39   0.987   0.880  14.062
  320   1HD   PRO  39          2HD       PRO  39   1.109   3.755  13.795
  321   2HD   PRO  39          1HD       PRO  39   0.047   2.619  12.930
  322    H    GLY  40           HN       GLY  40  -1.023   1.990  18.508
  323   1HA   GLY  40          1HA       GLY  40  -0.261   4.734  19.383
  324   2HA   GLY  40          2HA       GLY  40  -0.116   3.280  20.371
  325    H    GLU  41           HN       GLU  41  -2.949   2.654  19.105
  326    HA   GLU  41           HA       GLU  41  -4.448   4.182  21.204
  327   1HB   GLU  41          2HB       GLU  41  -6.285   4.324  19.473
  328   2HB   GLU  41          1HB       GLU  41  -4.834   5.234  19.053
  329   1HG   GLU  41          2HG       GLU  41  -4.410   3.926  17.253
  330   2HG   GLU  41          1HG       GLU  41  -4.738   2.444  18.152
  331    HA   PRO  42           HA       PRO  42  -5.017  -0.496  21.297
  332   1HB   PRO  42          2HB       PRO  42  -4.706  -0.266  24.148
  333   2HB   PRO  42          1HB       PRO  42  -3.634  -1.068  22.998
  334   1HG   PRO  42          2HG       PRO  42  -3.179   1.388  24.411
  335   2HG   PRO  42          1HG       PRO  42  -2.115   0.594  23.247
  336   1HD   PRO  42          2HD       PRO  42  -3.657   3.015  22.884
  337   2HD   PRO  42          1HD       PRO  42  -2.565   2.228  21.721
  338    H    VAL  43           HN       VAL  43  -7.096  -1.263  21.584
  339    HA   VAL  43           HA       VAL  43  -8.865  -0.543  23.710
  340    HB   VAL  43           HB       VAL  43  -8.833   1.659  22.716
  341   1HG1  VAL  43          2HG1      VAL  43  -8.296   0.288  20.361
  342   2HG1  VAL  43          1HG1      VAL  43  -9.917   0.931  20.095
  343   3HG1  VAL  43          3HG1      VAL  43  -8.591   2.022  20.495
  344   1HG2  VAL  43          2HG2      VAL  43 -11.249  -0.039  22.388
  345   2HG2  VAL  43          1HG2      VAL  43 -11.035   1.446  23.314
  346   3HG2  VAL  43          3HG2      VAL  43 -11.281   1.522  21.569
  347    H    VAL  44           HN       VAL  44  -9.246  -2.840  23.517
  348    HA   VAL  44           HA       VAL  44 -11.042  -3.563  21.230
  349    HB   VAL  44           HB       VAL  44  -8.614  -4.366  21.094
  350   1HG1  VAL  44          2HG1      VAL  44  -9.171  -5.130  23.748
  351   2HG1  VAL  44          1HG1      VAL  44  -9.073  -6.636  22.832
  352   3HG1  VAL  44          3HG1      VAL  44  -7.720  -5.504  22.820
  353   1HG2  VAL  44          3HG2      VAL  44 -11.074  -6.047  20.955
  354   2HG2  VAL  44          2HG2      VAL  44  -9.945  -5.599  19.676
  355   3HG2  VAL  44          1HG2      VAL  44  -9.522  -6.874  20.819
  356    HA   PRO  45           HA       PRO  45 -12.746  -4.405  25.561
  357   1HB   PRO  45          2HB       PRO  45 -15.196  -3.261  24.576
  358   2HB   PRO  45          1HB       PRO  45 -14.132  -2.634  25.838
  359   1HG   PRO  45          2HG       PRO  45 -14.504  -1.626  23.166
  360   2HG   PRO  45          1HG       PRO  45 -13.471  -0.976  24.440
  361   1HD   PRO  45          2HD       PRO  45 -12.652  -2.332  22.039
  362   2HD   PRO  45          1HD       PRO  45 -11.613  -1.734  23.354
  363    H    ILE  46           HN       ILE  46 -14.504  -5.962  25.988
  364    HA   ILE  46           HA       ILE  46 -14.683  -8.167  24.296
  365    HB   ILE  46           HB       ILE  46 -16.735  -7.010  26.212
  366   1HG1  ILE  46          2HG1      ILE  46 -14.558  -9.085  26.622
  367   2HG1  ILE  46          1HG1      ILE  46 -14.462  -7.406  27.154
  368   1HG2  ILE  46          2HG2      ILE  46 -16.449  -9.737  24.937
  369   2HG2  ILE  46          1HG2      ILE  46 -17.362  -9.484  26.425
  370   3HG2  ILE  46          3HG2      ILE  46 -17.861  -8.682  24.936
  371   1HD1  ILE  46          2HD1      ILE  46 -16.519  -7.759  28.521
  372   2HD1  ILE  46          1HD1      ILE  46 -16.513  -9.457  28.045
  373   3HD1  ILE  46          3HD1      ILE  46 -15.192  -8.809  29.019
  374    H    LEU  47           HN       LEU  47 -16.667  -5.226  24.251
  375    HA   LEU  47           HA       LEU  47 -18.422  -6.272  22.126
  376   1HB   LEU  47          2HB       LEU  47 -18.112  -3.602  23.538
  377   2HB   LEU  47          1HB       LEU  47 -19.367  -3.937  22.346
  378    HG   LEU  47           HG       LEU  47 -20.365  -4.347  24.482
  379   1HD1  LEU  47          2HD1      LEU  47 -20.497  -6.165  22.606
  380   2HD1  LEU  47          1HD1      LEU  47 -19.488  -7.117  23.695
  381   3HD1  LEU  47          3HD1      LEU  47 -21.080  -6.568  24.221
  382   1HD2  LEU  47          1HD2      LEU  47 -17.981  -4.575  25.538
  383   2HD2  LEU  47          3HD2      LEU  47 -19.326  -5.448  26.272
  384   3HD2  LEU  47          2HD2      LEU  47 -18.195  -6.297  25.219
  385    H    CYS  48           HN       CYS  48 -15.312  -5.122  22.163
  386    HA   CYS  48           HA       CYS  48 -13.894  -4.278  20.480
  387   1HB   CYS  48          2HB       CYS  48 -16.323  -5.126  18.873
  388   2HB   CYS  48          1HB       CYS  48 -14.772  -4.691  18.157
  389    H    SER  49           HN       SER  49 -13.454  -2.168  19.987
  390    HA   SER  49           HA       SER  49 -15.299  -0.055  20.456
  391   1HB   SER  49          2HB       SER  49 -12.754  -0.153  18.813
  392   2HB   SER  49          1HB       SER  49 -13.495   1.312  19.456
  393    HG   SER  49           HG       SER  49 -13.088   0.623  21.507
  394    H    ASN  50           HN       ASN  50 -13.930  -1.056  17.302
  395    HA   ASN  50           HA       ASN  50 -15.949   0.464  15.837
  396   1HB   ASN  50          2HB       ASN  50 -13.392  -0.672  15.425
  397   2HB   ASN  50          1HB       ASN  50 -14.470  -1.472  14.281
  398   1HD2  ASN  50          1HD2      ASN  50 -14.743   1.887  15.516
  399   2HD2  ASN  50          2HD2      ASN  50 -14.560   2.625  13.999
  400    HA   PRO  51           HA       PRO  51 -18.866  -2.967  16.199
  401   1HB   PRO  51          2HB       PRO  51 -20.599  -1.458  14.468
  402   2HB   PRO  51          1HB       PRO  51 -20.748  -1.702  16.210
  403   1HG   PRO  51          2HG       PRO  51 -19.998   0.697  14.820
  404   2HG   PRO  51          1HG       PRO  51 -20.144   0.453  16.562
  405   1HD   PRO  51          2HD       PRO  51 -17.727   0.777  15.018
  406   2HD   PRO  51          1HD       PRO  51 -17.877   0.528  16.772
  407    H    ASN  52           HN       ASN  52 -17.174  -1.702  13.540
  408    HA   ASN  52           HA       ASN  52 -18.022  -4.024  11.854
  409   1HB   ASN  52          2HB       ASN  52 -17.655  -1.115  11.077
  410   2HB   ASN  52          1HB       ASN  52 -17.878  -2.421   9.915
  411   1HD2  ASN  52          1HD2      ASN  52 -19.786  -0.302  10.113
  412   2HD2  ASN  52          2HD2      ASN  52 -21.235  -0.933  10.732
  413    H    PHE  53           HN       PHE  53 -15.692  -3.858  13.546
  414    HA   PHE  53           HA       PHE  53 -13.387  -3.118  11.884
  415   1HB   PHE  53          2HB       PHE  53 -12.185  -3.542  13.846
  416   2HB   PHE  53          1HB       PHE  53 -13.777  -3.191  14.513
  417    HD1  PHE  53           HD1      PHE  53 -15.374  -5.501  14.212
  418    HD2  PHE  53           HD2      PHE  53 -11.146  -5.308  14.962
  419    HE1  PHE  53           HE1      PHE  53 -15.451  -7.756  15.236
  420    HE2  PHE  53           HE2      PHE  53 -11.226  -7.573  15.988
  421    HZ   PHE  53           HZ       PHE  53 -13.380  -8.789  16.120
  422    HA   PRO  54           HA       PRO  54 -12.496  -6.928   9.897
  423   1HB   PRO  54          2HB       PRO  54 -10.134  -7.689  11.362
  424   2HB   PRO  54          1HB       PRO  54 -10.230  -6.939   9.767
  425   1HG   PRO  54          2HG       PRO  54  -9.399  -5.735  12.249
  426   2HG   PRO  54          1HG       PRO  54  -9.457  -4.997  10.646
  427   1HD   PRO  54          2HD       PRO  54 -11.183  -4.467  12.879
  428   2HD   PRO  54          1HD       PRO  54 -11.293  -3.778  11.243
  429    H    GLU  55           HN       GLU  55 -14.451  -7.632  11.235
  430    HA   GLU  55           HA       GLU  55 -14.593  -8.913  13.640
  431   1HB   GLU  55          2HB       GLU  55 -16.400  -8.636  11.962
  432   2HB   GLU  55          1HB       GLU  55 -15.700  -9.955  11.016
  433   1HG   GLU  55          2HG       GLU  55 -15.975 -11.461  12.990
  434   2HG   GLU  55          1HG       GLU  55 -16.779 -10.143  13.845
  435    H    GLU  56           HN       GLU  56 -12.919 -10.147  10.785
  436    HA   GLU  56           HA       GLU  56 -12.554 -12.854  11.485
  437   1HB   GLU  56          2HB       GLU  56 -10.581 -10.861  10.305
  438   2HB   GLU  56          1HB       GLU  56 -10.454 -12.615  10.171
  439   1HG   GLU  56          2HG       GLU  56 -12.661 -12.658   9.018
  440   2HG   GLU  56          1HG       GLU  56 -12.709 -10.896   9.091
  441    H    LEU  57           HN       LEU  57 -11.402  -9.967  12.995
  442    HA   LEU  57           HA       LEU  57  -9.276 -11.295  14.558
  443   1HB   LEU  57          2HB       LEU  57 -10.501  -8.516  14.651
  444   2HB   LEU  57          1HB       LEU  57  -9.020  -9.007  15.472
  445    HG   LEU  57           HG       LEU  57  -9.488  -9.003  12.475
  446   1HD1  LEU  57          3HD1      LEU  57  -9.047  -6.807  13.830
  447   2HD1  LEU  57          2HD1      LEU  57  -7.403  -7.430  13.970
  448   3HD1  LEU  57          1HD1      LEU  57  -8.096  -7.119  12.378
  449   1HD2  LEU  57          1HD2      LEU  57  -7.185  -9.937  14.194
  450   2HD2  LEU  57          3HD2      LEU  57  -8.049 -10.841  12.951
  451   3HD2  LEU  57          2HD2      LEU  57  -6.977  -9.517  12.494
  452    H    LYS  58           HN       LYS  58 -12.488 -11.574  14.700
  453    HA   LYS  58           HA       LYS  58 -13.590 -10.831  17.091
  454   1HB   LYS  58          2HB       LYS  58 -13.988 -12.788  15.135
  455   2HB   LYS  58          1HB       LYS  58 -13.907 -13.698  16.644
  456   1HG   LYS  58          2HG       LYS  58 -15.612 -12.210  17.634
  457   2HG   LYS  58          1HG       LYS  58 -15.692 -11.299  16.126
  458   1HD   LYS  58          2HD       LYS  58 -17.522 -12.918  16.193
  459   2HD   LYS  58          1HD       LYS  58 -16.370 -13.389  14.943
  460   1HE   LYS  58          2HE       LYS  58 -15.738 -14.511  17.594
  461   2HE   LYS  58          1HE       LYS  58 -17.281 -15.074  16.926
  462   1HZ   LYS  58          2HZ       LYS  58 -14.775 -14.927  15.337
  463   2HZ   LYS  58          1HZ       LYS  58 -15.260 -16.334  16.157
  464   3HZ   LYS  58          3HZ       LYS  58 -16.227 -15.703  14.915
  465    HA   PRO  59           HA       PRO  59 -11.327 -14.545  19.343
  466   1HB   PRO  59          2HB       PRO  59  -8.813 -14.789  17.954
  467   2HB   PRO  59          1HB       PRO  59 -10.062 -16.018  18.174
  468   1HG   PRO  59          2HG       PRO  59  -9.404 -14.525  15.780
  469   2HG   PRO  59          1HG       PRO  59 -10.560 -15.846  15.965
  470   1HD   PRO  59          2HD       PRO  59 -11.164 -13.104  15.525
  471   2HD   PRO  59          1HD       PRO  59 -12.321 -14.387  15.938
  472    H    LEU  60           HN       LEU  60  -9.321 -12.069  17.666
  473    HA   LEU  60           HA       LEU  60  -7.518 -11.541  19.785
  474   1HB   LEU  60          2HB       LEU  60  -8.670 -10.035  17.454
  475   2HB   LEU  60          1HB       LEU  60  -7.617  -9.188  18.590
  476    HG   LEU  60           HG       LEU  60  -6.015 -11.212  18.261
  477   1HD1  LEU  60          1HD1      LEU  60  -7.798 -11.439  15.815
  478   2HD1  LEU  60          3HD1      LEU  60  -6.258 -12.272  16.022
  479   3HD1  LEU  60          2HD1      LEU  60  -7.615 -12.651  17.082
  480   1HD2  LEU  60          1HD2      LEU  60  -6.549  -9.228  16.028
  481   2HD2  LEU  60          3HD2      LEU  60  -5.529  -8.951  17.441
  482   3HD2  LEU  60          2HD2      LEU  60  -5.055 -10.143  16.230
  483    H    CYS  61           HN       CYS  61 -10.744 -10.126  19.108
  484    HA   CYS  61           HA       CYS  61 -10.738  -8.222  21.239
  485   1HB   CYS  61          2HB       CYS  61 -12.296  -8.676  19.160
  486   2HB   CYS  61          1HB       CYS  61 -13.193  -9.683  20.298
  487    H    LYS  62           HN       LYS  62 -11.347 -11.686  21.164
  488    HA   LYS  62           HA       LYS  62 -12.484 -11.696  23.891
  489   1HB   LYS  62          2HB       LYS  62 -11.823 -13.823  21.834
  490   2HB   LYS  62          1HB       LYS  62 -12.588 -14.166  23.385
  491   1HG   LYS  62          2HG       LYS  62 -14.399 -12.530  22.775
  492   2HG   LYS  62          1HG       LYS  62 -13.672 -12.399  21.174
  493   1HD   LYS  62          2HD       LYS  62 -13.925 -14.879  20.915
  494   2HD   LYS  62          1HD       LYS  62 -14.785 -14.912  22.454
  495   1HE   LYS  62          2HE       LYS  62 -16.007 -12.858  20.936
  496   2HE   LYS  62          1HE       LYS  62 -15.816 -14.240  19.840
  497   1HZ   LYS  62          1HZ       LYS  62 -16.658 -14.742  22.607
  498   2HZ   LYS  62          3HZ       LYS  62 -17.814 -14.128  21.527
  499   3HZ   LYS  62          2HZ       LYS  62 -17.038 -15.602  21.191
  500    H    GLU  63           HN       GLU  63  -9.362 -11.627  22.598
  501    HA   GLU  63           HA       GLU  63  -8.269 -13.194  24.907
  502   1HB   GLU  63          2HB       GLU  63  -6.479 -13.775  23.491
  503   2HB   GLU  63          1HB       GLU  63  -7.855 -13.761  22.387
  504   1HG   GLU  63          2HG       GLU  63  -7.291 -11.480  21.681
  505   2HG   GLU  63          1HG       GLU  63  -5.950 -11.440  22.824
  506    HA   PRO  64           HA       PRO  64  -6.817  -9.397  26.626
  507   1HB   PRO  64          2HB       PRO  64  -4.545 -10.720  27.790
  508   2HB   PRO  64          1HB       PRO  64  -6.055 -10.256  28.577
  509   1HG   PRO  64          2HG       PRO  64  -5.163 -12.896  27.915
  510   2HG   PRO  64          1HG       PRO  64  -6.693 -12.430  28.661
  511   1HD   PRO  64          2HD       PRO  64  -6.233 -13.382  25.960
  512   2HD   PRO  64          1HD       PRO  64  -7.783 -12.981  26.736
  513    H    ASN  65           HN       ASN  65  -4.978 -11.362  24.461
  514    HA   ASN  65           HA       ASN  65  -2.616  -9.642  24.350
  515   1HB   ASN  65          2HB       ASN  65  -3.691 -11.809  22.516
  516   2HB   ASN  65          1HB       ASN  65  -2.055 -11.150  22.465
  517   1HD2  ASN  65          1HD2      ASN  65  -2.588 -13.942  23.016
  518   2HD2  ASN  65          2HD2      ASN  65  -2.104 -14.258  24.612
  519    H    ALA  66           HN       ALA  66  -5.770  -9.589  22.915
  520    HA   ALA  66           HA       ALA  66  -5.352  -8.397  20.407
  521   1HB   ALA  66          2HB       ALA  66  -7.437  -8.691  22.381
  522   2HB   ALA  66          3HB       ALA  66  -7.595  -8.510  20.634
  523   3HB   ALA  66          1HB       ALA  66  -7.523  -7.082  21.664
  524    H    GLN  67           HN       GLN  67  -5.257  -6.901  23.636
  525    HA   GLN  67           HA       GLN  67  -5.150  -4.172  22.900
  526   1HB   GLN  67          2HB       GLN  67  -3.765  -5.741  25.100
  527   2HB   GLN  67          1HB       GLN  67  -3.889  -3.982  25.073
  528   1HG   GLN  67          2HG       GLN  67  -6.351  -4.154  25.046
  529   2HG   GLN  67          1HG       GLN  67  -6.230  -5.914  25.070
  530   1HE2  GLN  67          1HE2      GLN  67  -7.596  -4.744  27.188
  531   2HE2  GLN  67          2HE2      GLN  67  -6.660  -4.805  28.603
  532    H    GLU  68           HN       GLU  68  -2.513  -6.569  23.162
  533    HA   GLU  68           HA       GLU  68  -0.481  -4.669  22.247
  534   1HB   GLU  68          2HB       GLU  68  -0.065  -6.525  23.846
  535   2HB   GLU  68          1HB       GLU  68  -0.480  -7.688  22.586
  536   1HG   GLU  68          2HG       GLU  68   1.365  -6.738  21.182
  537   2HG   GLU  68          1HG       GLU  68   1.825  -5.718  22.545
  538    H    ILE  69           HN       ILE  69  -2.387  -7.326  20.861
  539    HA   ILE  69           HA       ILE  69  -1.041  -7.452  18.320
  540    HB   ILE  69           HB       ILE  69  -3.894  -8.095  19.146
  541   1HG1  ILE  69          2HG1      ILE  69  -1.460  -9.894  18.971
  542   2HG1  ILE  69          1HG1      ILE  69  -2.095  -9.227  20.474
  543   1HG2  ILE  69          1HG2      ILE  69  -2.257  -8.672  16.689
  544   2HG2  ILE  69          3HG2      ILE  69  -3.498  -9.814  17.206
  545   3HG2  ILE  69          2HG2      ILE  69  -3.939  -8.154  16.807
  546   1HD1  ILE  69          1HD1      ILE  69  -4.246 -10.425  18.974
  547   2HD1  ILE  69          3HD1      ILE  69  -2.932 -11.590  19.148
  548   3HD1  ILE  69          2HD1      ILE  69  -3.652 -10.851  20.579
  549    H    LEU  70           HN       LEU  70  -4.078  -5.834  19.314
  550    HA   LEU  70           HA       LEU  70  -4.918  -4.624  16.987
  551   1HB   LEU  70          2HB       LEU  70  -6.104  -4.327  19.036
  552   2HB   LEU  70          1HB       LEU  70  -4.703  -3.616  19.831
  553    HG   LEU  70           HG       LEU  70  -6.677  -2.089  18.918
  554   1HD1  LEU  70          1HD1      LEU  70  -4.140  -1.649  19.787
  555   2HD1  LEU  70          3HD1      LEU  70  -4.032  -0.995  18.152
  556   3HD1  LEU  70          2HD1      LEU  70  -5.231  -0.360  19.279
  557   1HD2  LEU  70          2HD2      LEU  70  -6.028  -3.205  16.556
  558   2HD2  LEU  70          1HD2      LEU  70  -6.640  -1.555  16.684
  559   3HD2  LEU  70          3HD2      LEU  70  -4.907  -1.842  16.539
  560    H    GLN  71           HN       GLN  71  -2.680  -2.933  19.242
  561    HA   GLN  71           HA       GLN  71  -1.940  -0.795  17.608
  562   1HB   GLN  71          2HB       GLN  71  -0.233  -2.477  19.472
  563   2HB   GLN  71          1HB       GLN  71   0.182  -0.854  18.924
  564   1HG   GLN  71          2HG       GLN  71  -1.969  -0.032  19.924
  565   2HG   GLN  71          1HG       GLN  71  -2.233  -1.647  20.581
  566   1HE2  GLN  71          1HE2      GLN  71  -1.093  -2.214  22.491
  567   2HE2  GLN  71          2HE2      GLN  71   0.025  -1.193  23.258
  568    H    ARG  72           HN       ARG  72  -0.261  -3.967  17.771
  569    HA   ARG  72           HA       ARG  72   1.654  -3.517  15.748
  570   1HB   ARG  72          2HB       ARG  72   0.147  -5.997  16.628
  571   2HB   ARG  72          1HB       ARG  72   1.566  -6.042  15.581
  572   1HG   ARG  72          2HG       ARG  72   2.809  -4.756  17.366
  573   2HG   ARG  72          1HG       ARG  72   1.415  -4.990  18.418
  574   1HD   ARG  72          2HD       ARG  72   1.655  -7.475  18.082
  575   2HD   ARG  72          1HD       ARG  72   3.159  -7.158  17.195
  576    HE   ARG  72           HE       ARG  72   2.723  -6.264  20.028
  577   1HH1  ARG  72          1HH1      ARG  72   5.044  -5.434  18.084
  578   2HH1  ARG  72          2HH1      ARG  72   6.321  -6.409  18.732
  579   1HH2  ARG  72          1HH2      ARG  72   4.200  -8.411  20.606
  580   2HH2  ARG  72          2HH2      ARG  72   5.843  -8.094  20.159
  581    H    LEU  73           HN       LEU  73  -1.546  -5.118  15.366
  582    HA   LEU  73           HA       LEU  73  -1.556  -5.526  12.609
  583   1HB   LEU  73          2HB       LEU  73  -3.591  -4.860  14.695
  584   2HB   LEU  73          1HB       LEU  73  -4.110  -4.829  13.012
  585    HG   LEU  73           HG       LEU  73  -4.486  -7.063  13.909
  586   1HD1  LEU  73          3HD1      LEU  73  -3.401  -6.618  11.558
  587   2HD1  LEU  73          2HD1      LEU  73  -1.975  -7.364  12.282
  588   3HD1  LEU  73          1HD1      LEU  73  -3.484  -8.270  12.175
  589   1HD2  LEU  73          1HD2      LEU  73  -1.532  -6.982  14.598
  590   2HD2  LEU  73          3HD2      LEU  73  -2.870  -6.998  15.748
  591   3HD2  LEU  73          2HD2      LEU  73  -2.562  -8.407  14.734
  592    H    GLU  74           HN       GLU  74  -2.675  -2.542  14.272
  593    HA   GLU  74           HA       GLU  74  -3.271  -0.989  12.005
  594   1HB   GLU  74          2HB       GLU  74  -1.954  -0.141  14.607
  595   2HB   GLU  74          1HB       GLU  74  -2.872   0.907  13.527
  596   1HG   GLU  74          2HG       GLU  74  -4.819  -0.727  13.838
  597   2HG   GLU  74          1HG       GLU  74  -3.889  -1.418  15.167
  598    H    GLU  75           HN       GLU  75  -0.116  -1.216  13.728
  599    HA   GLU  75           HA       GLU  75   1.395   0.496  12.085
  600   1HB   GLU  75          2HB       GLU  75   2.071  -0.603  14.228
  601   2HB   GLU  75          1HB       GLU  75   2.216  -2.134  13.365
  602   1HG   GLU  75          2HG       GLU  75   3.894  -1.070  11.848
  603   2HG   GLU  75          1HG       GLU  75   3.804   0.394  12.828
  604    H    ILE  76           HN       ILE  76   1.075  -3.071  11.754
  605    HA   ILE  76           HA       ILE  76   2.483  -3.336   9.309
  606    HB   ILE  76           HB       ILE  76   0.070  -4.846  10.375
  607   1HG1  ILE  76          2HG1      ILE  76   1.882  -4.787  12.003
  608   2HG1  ILE  76          1HG1      ILE  76   1.831  -6.389  11.268
  609   1HG2  ILE  76          1HG2      ILE  76   1.753  -5.162   7.997
  610   2HG2  ILE  76          3HG2      ILE  76   1.722  -6.608   9.007
  611   3HG2  ILE  76          2HG2      ILE  76   0.215  -5.930   8.391
  612   1HD1  ILE  76          1HD1      ILE  76   3.614  -5.676   9.676
  613   2HD1  ILE  76          3HD1      ILE  76   3.702  -4.124  10.511
  614   3HD1  ILE  76          2HD1      ILE  76   4.147  -5.607  11.356
  615    H    ALA  77           HN       ALA  77  -0.869  -2.423   9.973
  616    HA   ALA  77           HA       ALA  77  -1.937  -2.542   7.342
  617   1HB   ALA  77          3HB       ALA  77  -2.783  -1.838   9.851
  618   2HB   ALA  77          1HB       ALA  77  -3.719  -1.546   8.385
  619   3HB   ALA  77          2HB       ALA  77  -2.720  -0.261   9.064
  620    H    GLU  78           HN       GLU  78   0.098  -0.139   8.946
  621    HA   GLU  78           HA       GLU  78  -0.143   2.005   7.087
  622   1HB   GLU  78          2HB       GLU  78   2.173   1.029   8.792
  623   2HB   GLU  78          1HB       GLU  78   2.093   2.622   8.038
  624   1HG   GLU  78          2HG       GLU  78  -0.022   3.065   9.280
  625   2HG   GLU  78          1HG       GLU  78   0.152   1.507  10.086
  626    H    ASP  79           HN       ASP  79   2.073  -0.806   7.137
  627    HA   ASP  79           HA       ASP  79   2.476  -0.458   4.206
  628   1HB   ASP  79          2HB       ASP  79   4.293   0.340   6.265
  629   2HB   ASP  79          1HB       ASP  79   4.992  -1.054   5.442
  630    HA   PRO  80           HA       PRO  80   2.229  -4.844   4.139
  631   1HB   PRO  80          2HB       PRO  80   4.343  -5.101   2.206
  632   2HB   PRO  80          1HB       PRO  80   2.601  -5.154   1.928
  633   1HG   PRO  80          2HG       PRO  80   4.445  -3.057   1.230
  634   2HG   PRO  80          1HG       PRO  80   2.707  -3.122   0.927
  635   1HD   PRO  80          2HD       PRO  80   4.102  -1.459   2.819
  636   2HD   PRO  80          1HD       PRO  80   2.347  -1.557   2.546
  637    H    GLY  81           HN       GLY  81   5.638  -3.710   3.867
  638   1HA   GLY  81          1HA       GLY  81   6.347  -5.186   6.296
  639   2HA   GLY  81          2HA       GLY  81   7.445  -4.216   5.313
  640    H    THR  82           HN       THR  82   7.468  -7.130   6.359
  641    HA   THR  82           HA       THR  82   8.716  -8.266   3.966
  642    HB   THR  82           HB       THR  82   9.286 -10.066   5.518
  643    HG1  THR  82          1HG       THR  82   8.347  -9.637   7.750
  644   1HG2  THR  82          3HG2      THR  82   9.678  -7.246   6.122
  645   2HG2  THR  82          2HG2      THR  82   9.749  -8.239   7.578
  646   3HG2  THR  82          1HG2      THR  82  10.825  -8.582   6.224
  647    H    CYS  83           HN       CYS  83   5.599  -8.353   5.472
  648    HA   CYS  83           HA       CYS  83   4.591 -10.879   4.731
  649   1HB   CYS  83          2HB       CYS  83   3.485  -9.107   6.113
  650   2HB   CYS  83          1HB       CYS  83   3.189  -8.188   4.636
  651    H    GLU  84           HN       GLU  84   4.398  -7.844   2.833
  652    HA   GLU  84           HA       GLU  84   3.231  -8.938   0.498
  653   1HB   GLU  84          2HB       GLU  84   3.475  -6.541   1.077
  654   2HB   GLU  84          1HB       GLU  84   5.213  -6.664   0.808
  655   1HG   GLU  84          2HG       GLU  84   4.743  -7.394  -1.542
  656   2HG   GLU  84          1HG       GLU  84   3.029  -7.103  -1.249
  657    H    ILE  85           HN       ILE  85   6.625  -8.936   1.547
  658    HA   ILE  85           HA       ILE  85   7.470 -10.010  -1.091
  659    HB   ILE  85           HB       ILE  85   9.718  -9.620  -0.186
  660   1HG1  ILE  85          2HG1      ILE  85   8.218  -9.040   2.380
  661   2HG1  ILE  85          1HG1      ILE  85   9.393 -10.325   2.110
  662   1HG2  ILE  85          1HG2      ILE  85   7.647  -7.462   0.205
  663   2HG2  ILE  85          3HG2      ILE  85   9.357  -7.139   0.488
  664   3HG2  ILE  85          2HG2      ILE  85   8.808  -7.647  -1.110
  665   1HD1  ILE  85          1HD1      ILE  85  10.822  -8.109   1.359
  666   2HD1  ILE  85          3HD1      ILE  85   9.825  -7.459   2.659
  667   3HD1  ILE  85          2HD1      ILE  85  10.886  -8.835   2.965
  668    H    CYS  86           HN       CYS  86   5.958 -11.406   1.345
  669    HA   CYS  86           HA       CYS  86   5.931 -13.576   2.281
  670   1HB   CYS  86          2HB       CYS  86   6.065 -13.743  -0.346
  671   2HB   CYS  86          1HB       CYS  86   7.680 -14.377  -0.026
  672    H    ALA  87           HN       ALA  87   8.425 -11.729   2.708
  673    HA   ALA  87           HA       ALA  87  10.638 -13.602   3.092
  674   1HB   ALA  87          2HB       ALA  87  10.066 -10.752   3.964
  675   2HB   ALA  87          1HB       ALA  87  11.611 -11.561   4.232
  676   3HB   ALA  87          3HB       ALA  87  11.044 -11.263   2.589
  677    H    TYR  88           HN       TYR  88   7.790 -12.920   4.790
  678    HA   TYR  88           HA       TYR  88   8.880 -14.238   7.244
  679   1HB   TYR  88          2HB       TYR  88   8.792 -11.745   7.459
  680   2HB   TYR  88          1HB       TYR  88   7.061 -11.809   7.132
  681    HD1  TYR  88           HD1      TYR  88   9.250 -14.049   9.188
  682    HD2  TYR  88           HD2      TYR  88   5.965 -11.282   9.135
  683    HE1  TYR  88           HE1      TYR  88   8.817 -14.516  11.585
  684    HE2  TYR  88           HE2      TYR  88   5.532 -11.749  11.531
  685    HH   TYR  88           HH       TYR  88   6.197 -12.843  13.337
  686    H    ALA  89           HN       ALA  89   7.056 -15.152   8.587
  687    HA   ALA  89           HA       ALA  89   5.121 -16.528   6.905
  688   1HB   ALA  89          3HB       ALA  89   6.280 -17.423   8.950
  689   2HB   ALA  89          2HB       ALA  89   5.320 -16.311   9.926
  690   3HB   ALA  89          1HB       ALA  89   4.526 -17.594   9.013
  691    H    ALA  90           HN       ALA  90   5.143 -13.406   7.982
  692    HA   ALA  90           HA       ALA  90   2.557 -12.997   9.121
  693   1HB   ALA  90          3HB       ALA  90   4.611 -11.389   7.643
  694   2HB   ALA  90          2HB       ALA  90   3.036 -10.662   7.959
  695   3HB   ALA  90          1HB       ALA  90   4.040 -11.211   9.301
  696    H    CYS  91           HN       CYS  91   3.647 -13.129   5.732
  697    HA   CYS  91           HA       CYS  91   0.867 -12.613   4.801
  698   1HB   CYS  91          2HB       CYS  91   3.529 -12.083   3.901
  699   2HB   CYS  91          1HB       CYS  91   2.733 -13.086   2.690
  700    H    THR  92           HN       THR  92  -0.420 -14.368   4.455
  701    HA   THR  92           HA       THR  92   0.862 -17.016   3.928
  702    HB   THR  92           HB       THR  92  -1.255 -17.906   4.736
  703    HG1  THR  92          1HG       THR  92  -2.047 -15.241   4.357
  704   1HG2  THR  92          3HG2      THR  92   0.177 -15.804   6.255
  705   2HG2  THR  92          2HG2      THR  92  -1.396 -16.276   6.899
  706   3HG2  THR  92          1HG2      THR  92  -0.133 -17.488   6.677
  707    H    GLY  93           HN       GLY  93   0.018 -18.329   2.178
  708   1HA   GLY  93          1HA       GLY  93  -1.765 -16.973   0.231
  709   2HA   GLY  93          2HA       GLY  93  -1.336 -18.684   0.213
  710    H    CYS  94           HN       CYS  94   1.358 -16.706   0.802
  711    HA   CYS  94           HA       CYS  94   2.055 -15.976  -1.907
  712   1HB   CYS  94          2HB       CYS  94   4.147 -15.356  -0.871
  713   2HB   CYS  94          1HB       CYS  94   2.869 -14.994   0.287

  No H/Q in entry =         713
  Start of MODEL    4
    1    H1   VAL   1          1H        VAL   1  -2.143 -11.451  -0.436
    2    H2   VAL   1          3H        VAL   1  -0.731 -11.814  -1.303
    3    H3   VAL   1          2H        VAL   1  -1.394 -12.963  -0.242
    4    HA   VAL   1           HA       VAL   1   0.282 -12.144   1.078
    5    HB   VAL   1           HB       VAL   1   0.907  -9.706   0.862
    6   1HG1  VAL   1          2HG1      VAL   1   1.594 -11.806  -0.713
    7   2HG1  VAL   1          1HG1      VAL   1   0.926 -10.716  -1.929
    8   3HG1  VAL   1          3HG1      VAL   1   2.268 -10.189  -0.913
    9   1HG2  VAL   1          2HG2      VAL   1  -1.619  -9.639  -0.458
   10   2HG2  VAL   1          1HG2      VAL   1  -0.514  -8.296  -0.166
   11   3HG2  VAL   1          3HG2      VAL   1  -0.386  -9.234  -1.653
   12    H    THR   2           HN       THR   2  -1.007 -12.538   2.917
   13    HA   THR   2           HA       THR   2  -2.700 -10.234   3.835
   14    HB   THR   2           HB       THR   2  -3.128 -13.206   4.272
   15    HG1  THR   2          1HG       THR   2  -5.046 -12.387   2.862
   16   1HG2  THR   2          2HG2      THR   2  -4.662 -10.720   5.015
   17   2HG2  THR   2          1HG2      THR   2  -5.465 -12.283   4.873
   18   3HG2  THR   2          3HG2      THR   2  -4.174 -12.059   6.052
   19    H    VAL   3           HN       VAL   3  -2.666  -9.847   6.116
   20    HA   VAL   3           HA       VAL   3  -0.185 -10.730   7.462
   21    HB   VAL   3           HB       VAL   3  -2.410  -8.796   8.189
   22   1HG1  VAL   3          3HG1      VAL   3  -1.199  -9.719  10.167
   23   2HG1  VAL   3          2HG1      VAL   3   0.320  -9.172   9.457
   24   3HG1  VAL   3          1HG1      VAL   3  -0.902  -7.995   9.938
   25   1HG2  VAL   3          3HG2      VAL   3   0.096  -8.624   6.620
   26   2HG2  VAL   3          2HG2      VAL   3  -1.360  -7.635   6.526
   27   3HG2  VAL   3          1HG2      VAL   3  -0.159  -7.318   7.778
   28    H    GLN   4           HN       GLN   4  -0.303 -12.662   8.557
   29    HA   GLN   4           HA       GLN   4  -2.896 -13.393   9.864
   30   1HB   GLN   4          2HB       GLN   4  -1.930 -14.891   8.118
   31   2HB   GLN   4          1HB       GLN   4  -0.480 -15.071   9.107
   32   1HG   GLN   4          2HG       GLN   4  -1.961 -15.924  10.968
   33   2HG   GLN   4          1HG       GLN   4  -3.301 -15.925   9.821
   34   1HE2  GLN   4          1HE2      GLN   4  -3.581 -17.882   8.747
   35   2HE2  GLN   4          2HE2      GLN   4  -2.365 -19.037   8.487
   36    H    ASP   5           HN       ASP   5  -2.909 -13.006  12.030
   37    HA   ASP   5           HA       ASP   5  -0.332 -12.949  13.528
   38   1HB   ASP   5          2HB       ASP   5  -1.741 -11.826  15.235
   39   2HB   ASP   5          1HB       ASP   5  -1.894 -11.037  13.665
   40    H    GLY   6           HN       GLY   6  -2.464 -15.258  12.673
   41   1HA   GLY   6          1HA       GLY   6  -3.368 -16.511  15.026
   42   2HA   GLY   6          2HA       GLY   6  -1.715 -17.070  14.769
   43    H    ASN   7           HN       ASN   7  -4.426 -18.436  14.498
   44    HA   ASN   7           HA       ASN   7  -3.781 -19.938  12.072
   45   1HB   ASN   7          2HB       ASN   7  -6.104 -20.053  14.023
   46   2HB   ASN   7          1HB       ASN   7  -5.705 -21.296  12.837
   47   1HD2  ASN   7          1HD2      ASN   7  -5.619 -21.249  15.942
   48   2HD2  ASN   7          2HD2      ASN   7  -4.065 -21.825  16.307
   49    H    PHE   8           HN       PHE   8  -5.260 -17.013  12.436
   50    HA   PHE   8           HA       PHE   8  -7.185 -17.533  10.192
   51   1HB   PHE   8          2HB       PHE   8  -7.244 -15.458  12.407
   52   2HB   PHE   8          1HB       PHE   8  -8.490 -15.687  11.179
   53    HD1  PHE   8           HD1      PHE   8  -6.917 -17.093  14.200
   54    HD2  PHE   8           HD2      PHE   8  -9.969 -17.632  11.226
   55    HE1  PHE   8           HE1      PHE   8  -7.971 -18.849  15.599
   56    HE2  PHE   8           HE2      PHE   8 -11.021 -19.389  12.625
   57    HZ   PHE   8           HZ       PHE   8 -10.022 -19.997  14.812
   58    H    SER   9           HN       SER   9  -7.017 -16.182   8.394
   59    HA   SER   9           HA       SER   9  -4.605 -14.496   8.188
   60   1HB   SER   9          2HB       SER   9  -5.425 -16.127   6.448
   61   2HB   SER   9          1HB       SER   9  -6.821 -15.079   6.197
   62    HG   SER   9           HG       SER   9  -4.276 -14.821   5.302
   63    H    PHE  10           HN       PHE  10  -4.664 -12.300   8.519
   64    HA   PHE  10           HA       PHE  10  -7.345 -10.953   8.478
   65   1HB   PHE  10          2HB       PHE  10  -4.811 -10.455  10.072
   66   2HB   PHE  10          1HB       PHE  10  -6.227  -9.406  10.129
   67    HD1  PHE  10           HD1      PHE  10  -8.122 -11.958   9.689
   68    HD2  PHE  10           HD2      PHE  10  -5.060 -10.906  12.516
   69    HE1  PHE  10           HE1      PHE  10  -9.164 -13.447  11.375
   70    HE2  PHE  10           HE2      PHE  10  -6.106 -12.397  14.201
   71    HZ   PHE  10           HZ       PHE  10  -8.156 -13.668  13.629
   72    H    SER  11           HN       SER  11  -7.583  -9.333   6.987
   73    HA   SER  11           HA       SER  11  -5.367  -8.618   5.211
   74   1HB   SER  11          2HB       SER  11  -7.115  -7.444   4.018
   75   2HB   SER  11          1HB       SER  11  -7.808  -8.955   4.604
   76    HG   SER  11           HG       SER  11  -8.029  -6.404   5.821
   77    H    LEU  12           HN       LEU  12  -5.136  -6.134   4.733
   78    HA   LEU  12           HA       LEU  12  -4.608  -4.785   7.335
   79   1HB   LEU  12          2HB       LEU  12  -3.719  -4.274   4.478
   80   2HB   LEU  12          1HB       LEU  12  -3.167  -3.354   5.876
   81    HG   LEU  12           HG       LEU  12  -1.488  -5.003   5.519
   82   1HD1  LEU  12          2HD1      LEU  12  -2.814  -4.868   7.869
   83   2HD1  LEU  12          1HD1      LEU  12  -3.060  -6.573   7.494
   84   3HD1  LEU  12          3HD1      LEU  12  -1.424  -5.924   7.619
   85   1HD2  LEU  12          3HD2      LEU  12  -3.289  -6.371   4.104
   86   2HD2  LEU  12          2HD2      LEU  12  -1.860  -7.159   4.776
   87   3HD2  LEU  12          1HD2      LEU  12  -3.411  -7.289   5.605
   88    H    GLU  13           HN       GLU  13  -6.931  -4.763   4.860
   89    HA   GLU  13           HA       GLU  13  -7.473  -1.946   4.626
   90   1HB   GLU  13          2HB       GLU  13  -8.187  -3.757   3.069
   91   2HB   GLU  13          1HB       GLU  13  -9.299  -4.348   4.304
   92   1HG   GLU  13          2HG       GLU  13 -10.420  -2.120   4.307
   93   2HG   GLU  13          1HG       GLU  13  -9.350  -1.608   3.001
   94    H    SER  14           HN       SER  14  -9.648  -4.328   6.174
   95    HA   SER  14           HA       SER  14 -11.187  -2.520   7.658
   96   1HB   SER  14          2HB       SER  14 -10.338  -5.250   8.632
   97   2HB   SER  14          1HB       SER  14 -11.899  -4.458   8.848
   98    HG   SER  14           HG       SER  14 -11.006  -5.966   6.793
   99    H    VAL  15           HN       VAL  15  -8.283  -4.289   8.848
  100    HA   VAL  15           HA       VAL  15  -8.234  -3.184  11.447
  101    HB   VAL  15           HB       VAL  15  -5.772  -3.745  11.265
  102   1HG1  VAL  15          1HG1      VAL  15  -8.002  -5.351  11.381
  103   2HG1  VAL  15          3HG1      VAL  15  -7.113  -6.061  10.030
  104   3HG1  VAL  15          2HG1      VAL  15  -6.345  -5.917  11.612
  105   1HG2  VAL  15          1HG2      VAL  15  -6.617  -4.230   8.396
  106   2HG2  VAL  15          3HG2      VAL  15  -5.306  -3.204   8.976
  107   3HG2  VAL  15          2HG2      VAL  15  -5.177  -4.957   9.104
  108    H    LYS  16           HN       LYS  16  -6.599  -1.959   8.485
  109    HA   LYS  16           HA       LYS  16  -5.402   0.337   9.648
  110   1HB   LYS  16          2HB       LYS  16  -5.106  -0.600   7.321
  111   2HB   LYS  16          1HB       LYS  16  -6.684   0.072   6.905
  112   1HG   LYS  16          2HG       LYS  16  -5.892   2.329   7.426
  113   2HG   LYS  16          1HG       LYS  16  -4.335   1.688   7.948
  114   1HD   LYS  16          2HD       LYS  16  -3.959   2.410   5.720
  115   2HD   LYS  16          1HD       LYS  16  -4.173   0.665   5.585
  116   1HE   LYS  16          2HE       LYS  16  -5.647   1.363   3.922
  117   2HE   LYS  16          1HE       LYS  16  -6.747   1.405   5.314
  118   1HZ   LYS  16          2HZ       LYS  16  -5.006   3.711   4.703
  119   2HZ   LYS  16          1HZ       LYS  16  -6.483   3.525   3.884
  120   3HZ   LYS  16          3HZ       LYS  16  -6.466   3.678   5.573
  121    H    LYS  17           HN       LYS  17  -8.579   0.032   8.025
  122    HA   LYS  17           HA       LYS  17  -9.466   2.672   8.947
  123   1HB   LYS  17          2HB       LYS  17 -10.970   0.358   7.679
  124   2HB   LYS  17          1HB       LYS  17 -11.495   2.041   7.730
  125   1HG   LYS  17          2HG       LYS  17  -8.911   1.148   6.427
  126   2HG   LYS  17          1HG       LYS  17 -10.427   1.326   5.544
  127   1HD   LYS  17          2HD       LYS  17 -10.524   3.707   6.478
  128   2HD   LYS  17          1HD       LYS  17  -8.848   3.471   6.978
  129   1HE   LYS  17          2HE       LYS  17  -8.177   3.045   4.661
  130   2HE   LYS  17          1HE       LYS  17  -9.866   3.151   4.129
  131   1HZ   LYS  17          1HZ       LYS  17  -8.749   5.333   5.748
  132   2HZ   LYS  17          3HZ       LYS  17  -8.321   5.259   4.109
  133   3HZ   LYS  17          2HZ       LYS  17  -9.956   5.387   4.553
  134    H    LEU  18           HN       LEU  18  -8.878   0.071  10.733
  135    HA   LEU  18           HA       LEU  18 -11.303  -0.664  12.031
  136   1HB   LEU  18          2HB       LEU  18  -9.214  -1.894  12.210
  137   2HB   LEU  18          1HB       LEU  18  -8.406  -0.496  12.920
  138    HG   LEU  18           HG       LEU  18  -9.994  -0.615  14.848
  139   1HD1  LEU  18          1HD1      LEU  18 -11.367  -2.362  13.096
  140   2HD1  LEU  18          3HD1      LEU  18 -10.805  -3.355  14.441
  141   3HD1  LEU  18          2HD1      LEU  18 -11.811  -1.940  14.750
  142   1HD2  LEU  18          1HD2      LEU  18  -7.871  -2.473  14.155
  143   2HD2  LEU  18          3HD2      LEU  18  -8.244  -1.748  15.719
  144   3HD2  LEU  18          2HD2      LEU  18  -9.042  -3.241  15.228
  145    H    LYS  19           HN       LYS  19  -8.843   1.781  12.973
  146    HA   LYS  19           HA       LYS  19 -10.257   2.782  15.250
  147   1HB   LYS  19          2HB       LYS  19  -8.255   4.036  13.343
  148   2HB   LYS  19          1HB       LYS  19  -8.712   4.737  14.895
  149   1HG   LYS  19          2HG       LYS  19  -7.986   2.599  15.999
  150   2HG   LYS  19          1HG       LYS  19  -7.388   2.047  14.435
  151   1HD   LYS  19          2HD       LYS  19  -5.881   3.998  14.319
  152   2HD   LYS  19          1HD       LYS  19  -6.482   4.558  15.880
  153   1HE   LYS  19          2HE       LYS  19  -4.428   3.365  16.324
  154   2HE   LYS  19          1HE       LYS  19  -5.743   2.280  16.814
  155   1HZ   LYS  19          2HZ       LYS  19  -4.915   2.237  14.008
  156   2HZ   LYS  19          1HZ       LYS  19  -3.863   1.513  15.130
  157   3HZ   LYS  19          3HZ       LYS  19  -5.462   0.965  14.993
  158    H    ASP  20           HN       ASP  20 -10.404   3.582  11.807
  159    HA   ASP  20           HA       ASP  20 -12.774   5.331  12.383
  160   1HB   ASP  20          2HB       ASP  20 -10.676   6.594  11.860
  161   2HB   ASP  20          1HB       ASP  20 -10.589   5.749  10.314
  162    H    LEU  21           HN       LEU  21 -14.343   3.823  11.697
  163    HA   LEU  21           HA       LEU  21 -13.948   2.417   9.113
  164   1HB   LEU  21          2HB       LEU  21 -14.745   1.303  11.224
  165   2HB   LEU  21          1HB       LEU  21 -16.205   2.289  11.135
  166    HG   LEU  21           HG       LEU  21 -15.909   1.180   8.569
  167   1HD1  LEU  21          2HD1      LEU  21 -15.104  -0.704  10.769
  168   2HD1  LEU  21          1HD1      LEU  21 -15.998  -1.317   9.378
  169   3HD1  LEU  21          3HD1      LEU  21 -14.432  -0.540   9.146
  170   1HD2  LEU  21          1HD2      LEU  21 -17.705   0.848  10.929
  171   2HD2  LEU  21          3HD2      LEU  21 -18.091   1.372   9.289
  172   3HD2  LEU  21          2HD2      LEU  21 -17.842  -0.340   9.632
  173    H    GLN  22           HN       GLN  22 -14.836   3.198   7.264
  174    HA   GLN  22           HA       GLN  22 -17.235   4.987   7.446
  175   1HB   GLN  22          2HB       GLN  22 -14.697   5.309   5.809
  176   2HB   GLN  22          1HB       GLN  22 -16.130   6.318   5.618
  177   1HG   GLN  22          2HG       GLN  22 -15.953   6.997   7.996
  178   2HG   GLN  22          1HG       GLN  22 -14.495   6.017   8.156
  179   1HE2  GLN  22          1HE2      GLN  22 -14.385   8.831   8.600
  180   2HE2  GLN  22          2HE2      GLN  22 -13.487   9.547   7.351
  181    H    GLU  23           HN       GLU  23 -18.668   4.769   5.611
  182    HA   GLU  23           HA       GLU  23 -19.782   3.395   4.016
  183   1HB   GLU  23          2HB       GLU  23 -17.225   4.394   3.142
  184   2HB   GLU  23          1HB       GLU  23 -17.521   2.828   2.386
  185   1HG   GLU  23          2HG       GLU  23 -19.736   3.613   1.627
  186   2HG   GLU  23          1HG       GLU  23 -19.437   5.180   2.379
  187    HA   PRO  24           HA       PRO  24 -18.468  -0.520   6.036
  188   1HB   PRO  24          2HB       PRO  24 -21.134  -1.431   5.450
  189   2HB   PRO  24          1HB       PRO  24 -20.445  -1.016   7.022
  190   1HG   PRO  24          2HG       PRO  24 -22.369   0.470   5.473
  191   2HG   PRO  24          1HG       PRO  24 -21.720   0.859   7.068
  192   1HD   PRO  24          2HD       PRO  24 -21.163   2.187   4.583
  193   2HD   PRO  24          1HD       PRO  24 -20.443   2.524   6.175
  194    H    GLN  25           HN       GLN  25 -18.738  -2.837   5.125
  195    HA   GLN  25           HA       GLN  25 -18.414  -4.343   3.335
  196   1HB   GLN  25          2HB       GLN  25 -20.092  -2.253   1.910
  197   2HB   GLN  25          1HB       GLN  25 -19.901  -3.938   1.429
  198   1HG   GLN  25          2HG       GLN  25 -20.933  -4.673   3.536
  199   2HG   GLN  25          1HG       GLN  25 -21.089  -2.996   4.058
  200   1HE2  GLN  25          1HE2      GLN  25 -23.400  -4.647   3.784
  201   2HE2  GLN  25          2HE2      GLN  25 -24.323  -4.076   2.479
  202    H    GLU  26           HN       GLU  26 -16.224  -2.759   3.729
  203    HA   GLU  26           HA       GLU  26 -14.334  -1.830   2.651
  204   1HB   GLU  26          2HB       GLU  26 -15.650  -3.617   0.598
  205   2HB   GLU  26          1HB       GLU  26 -14.096  -2.840   0.295
  206   1HG   GLU  26          2HG       GLU  26 -13.157  -3.903   2.303
  207   2HG   GLU  26          1HG       GLU  26 -14.716  -4.652   2.649
  208    HA   PRO  27           HA       PRO  27 -16.594   1.729   0.916
  209   1HB   PRO  27          2HB       PRO  27 -14.195   3.231   1.427
  210   2HB   PRO  27          1HB       PRO  27 -15.727   3.301   2.301
  211   1HG   PRO  27          2HG       PRO  27 -13.241   2.179   3.193
  212   2HG   PRO  27          1HG       PRO  27 -14.775   2.235   4.061
  213   1HD   PRO  27          2HD       PRO  27 -13.488  -0.064   2.874
  214   2HD   PRO  27          1HD       PRO  27 -15.023  -0.012   3.772
  215    H    ARG  28           HN       ARG  28 -13.523   0.275   0.148
  216    HA   ARG  28           HA       ARG  28 -12.279   0.211  -1.859
  217   1HB   ARG  28          2HB       ARG  28 -15.049   0.999  -2.813
  218   2HB   ARG  28          1HB       ARG  28 -13.751   0.482  -3.890
  219   1HG   ARG  28          2HG       ARG  28 -13.594  -1.655  -2.604
  220   2HG   ARG  28          1HG       ARG  28 -14.977  -1.140  -1.638
  221   1HD   ARG  28          2HD       ARG  28 -16.280  -0.914  -3.814
  222   2HD   ARG  28          1HD       ARG  28 -14.920  -1.724  -4.616
  223    HE   ARG  28           HE       ARG  28 -15.308  -3.663  -3.112
  224   1HH1  ARG  28          1HH1      ARG  28 -17.316  -1.179  -2.071
  225   2HH1  ARG  28          2HH1      ARG  28 -18.739  -2.155  -1.922
  226   1HH2  ARG  28          1HH2      ARG  28 -17.304  -4.941  -3.407
  227   2HH2  ARG  28          2HH2      ARG  28 -18.732  -4.285  -2.679
  228    H    VAL  29           HN       VAL  29 -11.703   2.476  -0.483
  229    HA   VAL  29           HA       VAL  29 -11.591   4.570  -2.621
  230    HB   VAL  29           HB       VAL  29 -13.369   5.013  -0.915
  231   1HG1  VAL  29          3HG1      VAL  29 -11.914   3.834   0.900
  232   2HG1  VAL  29          2HG1      VAL  29 -11.144   5.411   1.079
  233   3HG1  VAL  29          1HG1      VAL  29 -12.874   5.236   1.375
  234   1HG2  VAL  29          2HG2      VAL  29 -11.020   6.750  -1.418
  235   2HG2  VAL  29          1HG2      VAL  29 -12.735   7.069  -1.682
  236   3HG2  VAL  29          3HG2      VAL  29 -12.046   7.236  -0.068
  237    H    GLY  30           HN       GLY  30  -9.601   5.666  -2.703
  238   1HA   GLY  30          1HA       GLY  30  -7.622   5.143  -0.552
  239   2HA   GLY  30          2HA       GLY  30  -7.473   6.380  -1.800
  240    H    LYS  31           HN       LYS  31  -5.996   5.897  -3.344
  241    HA   LYS  31           HA       LYS  31  -5.882   3.464  -4.813
  242   1HB   LYS  31          2HB       LYS  31  -4.995   5.691  -5.492
  243   2HB   LYS  31          1HB       LYS  31  -3.719   5.528  -4.286
  244   1HG   LYS  31          2HG       LYS  31  -2.956   3.445  -5.417
  245   2HG   LYS  31          1HG       LYS  31  -4.190   3.689  -6.653
  246   1HD   LYS  31          2HD       LYS  31  -3.165   5.923  -7.154
  247   2HD   LYS  31          1HD       LYS  31  -1.872   5.539  -6.018
  248   1HE   LYS  31          2HE       LYS  31  -0.978   4.876  -8.115
  249   2HE   LYS  31          1HE       LYS  31  -1.603   3.356  -7.449
  250   1HZ   LYS  31          2HZ       LYS  31  -3.556   5.001  -8.819
  251   2HZ   LYS  31          1HZ       LYS  31  -2.342   4.371  -9.827
  252   3HZ   LYS  31          3HZ       LYS  31  -3.304   3.323  -8.904
  253    H    LEU  32           HN       LEU  32  -3.947   4.571  -2.019
  254    HA   LEU  32           HA       LEU  32  -2.894   1.769  -1.767
  255   1HB   LEU  32          2HB       LEU  32  -1.674   4.412  -0.905
  256   2HB   LEU  32          1HB       LEU  32  -0.900   2.830  -0.802
  257    HG   LEU  32           HG       LEU  32  -1.752   4.259  -3.339
  258   1HD1  LEU  32          1HD1      LEU  32   0.423   4.860  -1.993
  259   2HD1  LEU  32          3HD1      LEU  32   1.025   3.336  -2.646
  260   3HD1  LEU  32          2HD1      LEU  32   0.524   4.627  -3.738
  261   1HD2  LEU  32          3HD2      LEU  32  -0.561   1.509  -2.881
  262   2HD2  LEU  32          2HD2      LEU  32  -2.128   1.877  -3.602
  263   3HD2  LEU  32          1HD2      LEU  32  -0.643   2.297  -4.457
  264    H    ARG  33           HN       ARG  33  -3.034   0.811   0.285
  265    HA   ARG  33           HA       ARG  33  -4.843   2.125   2.221
  266   1HB   ARG  33          2HB       ARG  33  -3.564  -0.622   2.023
  267   2HB   ARG  33          1HB       ARG  33  -4.720  -0.159   3.273
  268   1HG   ARG  33          2HG       ARG  33  -6.364   0.411   1.475
  269   2HG   ARG  33          1HG       ARG  33  -5.218  -0.198   0.281
  270   1HD   ARG  33          2HD       ARG  33  -5.244  -2.418   1.466
  271   2HD   ARG  33          1HD       ARG  33  -6.524  -1.785   2.520
  272    HE   ARG  33           HE       ARG  33  -7.817  -1.340   0.359
  273   1HH1  ARG  33          1HH1      ARG  33  -5.359  -2.245  -1.292
  274   2HH1  ARG  33          2HH1      ARG  33  -5.895  -3.807  -1.814
  275   1HH2  ARG  33          1HH2      ARG  33  -8.490  -3.975   0.479
  276   2HH2  ARG  33          2HH2      ARG  33  -7.668  -4.786  -0.812
  277    H    ASN  34           HN       ASN  34  -2.551   3.582   2.210
  278    HA   ASN  34           HA       ASN  34  -0.894   2.574   4.492
  279   1HB   ASN  34          2HB       ASN  34   0.193   3.129   2.310
  280   2HB   ASN  34          1HB       ASN  34  -0.400   4.783   2.465
  281   1HD2  ASN  34          1HD2      ASN  34   0.903   6.217   3.649
  282   2HD2  ASN  34          2HD2      ASN  34   2.214   5.747   4.617
  283    H    PHE  35           HN       PHE  35  -1.498   3.446   6.436
  284    HA   PHE  35           HA       PHE  35  -1.889   6.343   6.712
  285   1HB   PHE  35          2HB       PHE  35  -4.064   5.485   5.847
  286   2HB   PHE  35          1HB       PHE  35  -4.157   4.388   7.225
  287    HD1  PHE  35           HD1      PHE  35  -4.196   7.940   6.181
  288    HD2  PHE  35           HD2      PHE  35  -4.718   5.183   9.433
  289    HE1  PHE  35           HE1      PHE  35  -5.192   9.749   7.555
  290    HE2  PHE  35           HE2      PHE  35  -5.715   6.992  10.807
  291    HZ   PHE  35           HZ       PHE  35  -5.952   9.275   9.868
  292    H    ALA  36           HN       ALA  36  -0.254   6.245   8.324
  293    HA   ALA  36           HA       ALA  36   0.286   4.443  10.319
  294   1HB   ALA  36          1HB       ALA  36   0.029   7.275  11.192
  295   2HB   ALA  36          3HB       ALA  36   1.431   6.206  11.253
  296   3HB   ALA  36          2HB       ALA  36   0.986   6.993   9.738
  297    HA   PRO  37           HA       PRO  37  -3.929   4.336  12.074
  298   1HB   PRO  37          2HB       PRO  37  -3.102   1.908  13.372
  299   2HB   PRO  37          1HB       PRO  37  -4.207   2.088  12.007
  300   1HG   PRO  37          2HG       PRO  37  -1.570   0.996  11.969
  301   2HG   PRO  37          1HG       PRO  37  -2.638   1.271  10.590
  302   1HD   PRO  37          2HD       PRO  37  -0.243   2.749  11.353
  303   2HD   PRO  37          1HD       PRO  37  -1.224   2.914   9.878
  304    H    ILE  38           HN       ILE  38  -0.775   4.497  13.415
  305    HA   ILE  38           HA       ILE  38   0.005   5.199  15.533
  306    HB   ILE  38           HB       ILE  38  -2.878   6.152  15.612
  307   1HG1  ILE  38          2HG1      ILE  38  -0.744   8.106  15.176
  308   2HG1  ILE  38          1HG1      ILE  38  -0.806   6.881  13.908
  309   1HG2  ILE  38          2HG2      ILE  38  -1.189   6.026  17.749
  310   2HG2  ILE  38          1HG2      ILE  38  -0.759   7.602  17.084
  311   3HG2  ILE  38          3HG2      ILE  38  -2.426   7.267  17.550
  312   1HD1  ILE  38          3HD1      ILE  38  -3.317   7.306  13.796
  313   2HD1  ILE  38          2HD1      ILE  38  -3.036   8.713  14.821
  314   3HD1  ILE  38          1HD1      ILE  38  -2.298   8.626  13.221
  315    HA   PRO  39           HA       PRO  39  -1.700   1.347  17.411
  316   1HB   PRO  39          2HB       PRO  39   0.886   1.096  18.646
  317   2HB   PRO  39          1HB       PRO  39   0.196   0.109  17.354
  318   1HG   PRO  39          2HG       PRO  39   2.302   2.057  17.160
  319   2HG   PRO  39          1HG       PRO  39   1.621   1.062  15.870
  320   1HD   PRO  39          2HD       PRO  39   1.287   3.898  16.280
  321   2HD   PRO  39          1HD       PRO  39   0.585   2.893  14.990
  322    H    GLY  40           HN       GLY  40  -1.870   0.821  19.778
  323   1HA   GLY  40          1HA       GLY  40  -1.326   3.160  21.550
  324   2HA   GLY  40          2HA       GLY  40  -1.556   1.503  22.113
  325    H    GLU  41           HN       GLU  41  -3.802   1.643  19.835
  326    HA   GLU  41           HA       GLU  41  -5.880   2.820  21.654
  327   1HB   GLU  41          2HB       GLU  41  -5.112   3.358  18.918
  328   2HB   GLU  41          1HB       GLU  41  -6.782   2.793  18.970
  329   1HG   GLU  41          2HG       GLU  41  -7.358   4.887  19.592
  330   2HG   GLU  41          1HG       GLU  41  -6.573   4.555  21.136
  331    HA   PRO  42           HA       PRO  42  -6.668  -1.722  21.107
  332   1HB   PRO  42          2HB       PRO  42  -7.955  -1.559  23.675
  333   2HB   PRO  42          1HB       PRO  42  -6.440  -2.366  23.268
  334   1HG   PRO  42          2HG       PRO  42  -6.802   0.054  24.774
  335   2HG   PRO  42          1HG       PRO  42  -5.286  -0.755  24.369
  336   1HD   PRO  42          2HD       PRO  42  -6.320   1.716  23.290
  337   2HD   PRO  42          1HD       PRO  42  -4.791   0.901  22.881
  338    H    VAL  43           HN       VAL  43  -8.617  -2.476  20.259
  339    HA   VAL  43           HA       VAL  43 -11.021  -0.722  20.629
  340    HB   VAL  43           HB       VAL  43 -11.611  -1.392  18.347
  341   1HG1  VAL  43          2HG1      VAL  43  -8.825  -0.381  18.868
  342   2HG1  VAL  43          1HG1      VAL  43  -9.377  -0.622  17.210
  343   3HG1  VAL  43          3HG1      VAL  43 -10.231   0.501  18.270
  344   1HG2  VAL  43          3HG2      VAL  43  -9.108  -3.099  18.520
  345   2HG2  VAL  43          2HG2      VAL  43 -10.766  -3.693  18.422
  346   3HG2  VAL  43          1HG2      VAL  43 -10.053  -2.838  17.054
  347    H    VAL  44           HN       VAL  44 -10.613  -2.652  22.549
  348    HA   VAL  44           HA       VAL  44 -12.887  -4.482  22.037
  349    HB   VAL  44           HB       VAL  44 -11.621  -6.465  22.381
  350   1HG1  VAL  44          1HG1      VAL  44 -11.220  -5.446  20.161
  351   2HG1  VAL  44          3HG1      VAL  44  -9.830  -4.580  20.817
  352   3HG1  VAL  44          2HG1      VAL  44  -9.807  -6.341  20.722
  353   1HG2  VAL  44          2HG2      VAL  44  -9.648  -4.572  23.602
  354   2HG2  VAL  44          1HG2      VAL  44 -10.239  -6.120  24.209
  355   3HG2  VAL  44          3HG2      VAL  44  -9.050  -6.079  22.908
  356    HA   PRO  45           HA       PRO  45 -12.100  -2.584  26.371
  357   1HB   PRO  45          2HB       PRO  45 -14.730  -1.438  26.141
  358   2HB   PRO  45          1HB       PRO  45 -13.182  -0.598  26.261
  359   1HG   PRO  45          2HG       PRO  45 -14.882  -0.895  23.945
  360   2HG   PRO  45          1HG       PRO  45 -13.381   0.020  24.089
  361   1HD   PRO  45          2HD       PRO  45 -13.787  -2.420  22.648
  362   2HD   PRO  45          1HD       PRO  45 -12.245  -1.572  22.917
  363    H    ILE  46           HN       ILE  46 -14.439  -4.475  24.669
  364    HA   ILE  46           HA       ILE  46 -14.889  -6.277  26.853
  365    HB   ILE  46           HB       ILE  46 -16.062  -4.133  27.597
  366   1HG1  ILE  46          2HG1      ILE  46 -17.973  -6.443  27.213
  367   2HG1  ILE  46          1HG1      ILE  46 -16.616  -6.530  28.337
  368   1HG2  ILE  46          1HG2      ILE  46 -17.880  -4.934  25.306
  369   2HG2  ILE  46          3HG2      ILE  46 -18.279  -3.729  26.529
  370   3HG2  ILE  46          2HG2      ILE  46 -16.936  -3.450  25.422
  371   1HD1  ILE  46          3HD1      ILE  46 -18.524  -4.201  28.426
  372   2HD1  ILE  46          2HD1      ILE  46 -18.924  -5.715  29.238
  373   3HD1  ILE  46          1HD1      ILE  46 -17.476  -4.820  29.702
  374    H    LEU  47           HN       LEU  47 -16.009  -4.881  23.816
  375    HA   LEU  47           HA       LEU  47 -16.507  -7.575  22.736
  376   1HB   LEU  47          2HB       LEU  47 -18.576  -6.957  23.983
  377   2HB   LEU  47          1HB       LEU  47 -18.716  -5.506  22.990
  378    HG   LEU  47           HG       LEU  47 -18.683  -7.072  20.962
  379   1HD1  LEU  47          1HD1      LEU  47 -18.025  -8.962  22.853
  380   2HD1  LEU  47          3HD1      LEU  47 -19.748  -9.258  22.618
  381   3HD1  LEU  47          2HD1      LEU  47 -18.647  -9.324  21.243
  382   1HD2  LEU  47          1HD2      LEU  47 -20.742  -6.093  22.479
  383   2HD2  LEU  47          3HD2      LEU  47 -20.958  -6.961  20.959
  384   3HD2  LEU  47          2HD2      LEU  47 -21.096  -7.820  22.493
  385    H    CYS  48           HN       CYS  48 -14.609  -6.363  21.571
  386    HA   CYS  48           HA       CYS  48 -13.807  -5.142  19.704
  387   1HB   CYS  48          2HB       CYS  48 -16.457  -6.333  18.847
  388   2HB   CYS  48          1HB       CYS  48 -15.316  -5.613  17.709
  389    H    SER  49           HN       SER  49 -13.794  -2.943  20.183
  390    HA   SER  49           HA       SER  49 -15.946  -1.231  20.712
  391   1HB   SER  49          2HB       SER  49 -13.459  -0.813  20.865
  392   2HB   SER  49          1HB       SER  49 -13.459  -0.567  19.118
  393    HG   SER  49           HG       SER  49 -14.836   0.919  21.092
  394    H    ASN  50           HN       ASN  50 -14.440  -1.806  17.517
  395    HA   ASN  50           HA       ASN  50 -16.488  -0.259  16.120
  396   1HB   ASN  50          2HB       ASN  50 -14.087  -1.935  15.438
  397   2HB   ASN  50          1HB       ASN  50 -15.179  -1.410  14.155
  398   1HD2  ASN  50          1HD2      ASN  50 -14.534   0.539  13.241
  399   2HD2  ASN  50          2HD2      ASN  50 -13.720   1.782  14.062
  400    HA   PRO  51           HA       PRO  51 -19.248  -3.843  16.154
  401   1HB   PRO  51          2HB       PRO  51 -21.088  -2.233  14.639
  402   2HB   PRO  51          1HB       PRO  51 -21.184  -2.678  16.345
  403   1HG   PRO  51          2HG       PRO  51 -20.601  -0.102  15.238
  404   2HG   PRO  51          1HG       PRO  51 -20.645  -0.559  16.942
  405   1HD   PRO  51          2HD       PRO  51 -18.326   0.044  15.307
  406   2HD   PRO  51          1HD       PRO  51 -18.381  -0.337  17.042
  407    H    ASN  52           HN       ASN  52 -17.829  -2.077  13.559
  408    HA   ASN  52           HA       ASN  52 -18.645  -4.224  11.626
  409   1HB   ASN  52          2HB       ASN  52 -18.160  -1.253  11.265
  410   2HB   ASN  52          1HB       ASN  52 -18.388  -2.373   9.921
  411   1HD2  ASN  52          1HD2      ASN  52 -20.236  -0.223  10.440
  412   2HD2  ASN  52          2HD2      ASN  52 -21.719  -0.904  10.905
  413    H    PHE  53           HN       PHE  53 -16.233  -4.049  13.426
  414    HA   PHE  53           HA       PHE  53 -13.972  -3.424  11.662
  415   1HB   PHE  53          2HB       PHE  53 -12.699  -3.824  13.595
  416   2HB   PHE  53          1HB       PHE  53 -14.245  -3.335  14.286
  417    HD1  PHE  53           HD1      PHE  53 -15.978  -5.582  14.150
  418    HD2  PHE  53           HD2      PHE  53 -11.734  -5.555  14.825
  419    HE1  PHE  53           HE1      PHE  53 -16.149  -7.762  15.313
  420    HE2  PHE  53           HE2      PHE  53 -11.908  -7.743  15.991
  421    HZ   PHE  53           HZ       PHE  53 -14.116  -8.843  16.231
  422    HA   PRO  54           HA       PRO  54 -13.163  -7.357   9.875
  423   1HB   PRO  54          2HB       PRO  54 -10.761  -8.033  11.320
  424   2HB   PRO  54          1HB       PRO  54 -10.897  -7.382   9.685
  425   1HG   PRO  54          2HG       PRO  54 -10.000  -6.030  12.065
  426   2HG   PRO  54          1HG       PRO  54 -10.095  -5.393  10.425
  427   1HD   PRO  54          2HD       PRO  54 -11.759  -4.720  12.663
  428   2HD   PRO  54          1HD       PRO  54 -11.911  -4.132  10.992
  429    H    GLU  55           HN       GLU  55 -15.081  -7.969  11.315
  430    HA   GLU  55           HA       GLU  55 -15.148  -9.071  13.810
  431   1HB   GLU  55          2HB       GLU  55 -17.011  -8.925  12.186
  432   2HB   GLU  55          1HB       GLU  55 -16.330 -10.293  11.298
  433   1HG   GLU  55          2HG       GLU  55 -16.529 -11.681  13.365
  434   2HG   GLU  55          1HG       GLU  55 -17.308 -10.319  14.171
  435    H    GLU  56           HN       GLU  56 -13.508 -10.471  11.026
  436    HA   GLU  56           HA       GLU  56 -13.116 -13.130  11.907
  437   1HB   GLU  56          2HB       GLU  56 -11.288 -11.175  10.467
  438   2HB   GLU  56          1HB       GLU  56 -10.990 -12.910  10.560
  439   1HG   GLU  56          2HG       GLU  56 -13.455 -11.603   9.366
  440   2HG   GLU  56          1HG       GLU  56 -12.133 -12.328   8.451
  441    H    LEU  57           HN       LEU  57 -12.038 -10.152  13.245
  442    HA   LEU  57           HA       LEU  57  -9.830 -11.361  14.812
  443   1HB   LEU  57          2HB       LEU  57 -11.022  -8.570  14.680
  444   2HB   LEU  57          1HB       LEU  57  -9.550  -9.001  15.548
  445    HG   LEU  57           HG       LEU  57  -9.982  -9.327  12.564
  446   1HD1  LEU  57          2HD1      LEU  57  -9.706  -6.958  13.646
  447   2HD1  LEU  57          1HD1      LEU  57  -8.028  -7.453  13.875
  448   3HD1  LEU  57          3HD1      LEU  57  -8.714  -7.382  12.251
  449   1HD2  LEU  57          1HD2      LEU  57  -8.431 -10.969  13.726
  450   2HD2  LEU  57          3HD2      LEU  57  -7.674  -9.983  12.477
  451   3HD2  LEU  57          2HD2      LEU  57  -7.434  -9.587  14.178
  452    H    LYS  58           HN       LYS  58 -13.056 -11.547  15.062
  453    HA   LYS  58           HA       LYS  58 -14.045 -10.581  17.422
  454   1HB   LYS  58          2HB       LYS  58 -15.467 -11.987  16.245
  455   2HB   LYS  58          1HB       LYS  58 -14.220 -13.202  15.983
  456   1HG   LYS  58          2HG       LYS  58 -14.378 -13.952  18.278
  457   2HG   LYS  58          1HG       LYS  58 -15.453 -12.615  18.689
  458   1HD   LYS  58          2HD       LYS  58 -16.119 -14.719  16.613
  459   2HD   LYS  58          1HD       LYS  58 -16.632 -14.818  18.297
  460   1HE   LYS  58          2HE       LYS  58 -18.278 -13.270  17.985
  461   2HE   LYS  58          1HE       LYS  58 -17.212 -12.212  17.042
  462   1HZ   LYS  58          3HZ       LYS  58 -17.898 -14.772  15.834
  463   2HZ   LYS  58          2HZ       LYS  58 -19.170 -13.651  15.945
  464   3HZ   LYS  58          1HZ       LYS  58 -17.746 -13.245  15.113
  465    HA   PRO  59           HA       PRO  59 -11.788 -14.147  19.902
  466   1HB   PRO  59          2HB       PRO  59  -9.348 -14.605  18.441
  467   2HB   PRO  59          1HB       PRO  59 -10.626 -15.763  18.819
  468   1HG   PRO  59          2HG       PRO  59 -10.018 -14.522  16.276
  469   2HG   PRO  59          1HG       PRO  59 -11.214 -15.772  16.629
  470   1HD   PRO  59          2HD       PRO  59 -11.729 -13.054  15.965
  471   2HD   PRO  59          1HD       PRO  59 -12.916 -14.254  16.521
  472    H    LEU  60           HN       LEU  60  -9.732 -11.961  17.906
  473    HA   LEU  60           HA       LEU  60  -7.815 -11.273  19.848
  474   1HB   LEU  60          2HB       LEU  60  -8.500 -10.557  17.278
  475   2HB   LEU  60          1HB       LEU  60  -8.816  -9.067  18.167
  476    HG   LEU  60           HG       LEU  60  -6.409  -9.901  19.234
  477   1HD1  LEU  60          3HD1      LEU  60  -6.763 -11.236  16.717
  478   2HD1  LEU  60          2HD1      LEU  60  -5.482 -10.036  16.547
  479   3HD1  LEU  60          1HD1      LEU  60  -5.366 -11.280  17.792
  480   1HD2  LEU  60          3HD2      LEU  60  -7.223  -7.622  18.366
  481   2HD2  LEU  60          2HD2      LEU  60  -5.510  -7.983  18.156
  482   3HD2  LEU  60          1HD2      LEU  60  -6.616  -8.135  16.791
  483    H    CYS  61           HN       CYS  61 -11.030  -9.795  19.268
  484    HA   CYS  61           HA       CYS  61 -10.833  -7.773  21.286
  485   1HB   CYS  61          2HB       CYS  61 -13.220  -9.259  20.134
  486   2HB   CYS  61          1HB       CYS  61 -13.299  -7.723  20.997
  487    H    LYS  62           HN       LYS  62 -11.628 -11.198  21.415
  488    HA   LYS  62           HA       LYS  62 -12.619 -11.000  24.199
  489   1HB   LYS  62          2HB       LYS  62 -12.231 -13.275  22.225
  490   2HB   LYS  62          1HB       LYS  62 -12.957 -13.464  23.822
  491   1HG   LYS  62          2HG       LYS  62 -14.661 -11.731  23.179
  492   2HG   LYS  62          1HG       LYS  62 -13.986 -11.741  21.549
  493   1HD   LYS  62          2HD       LYS  62 -14.436 -14.204  21.437
  494   2HD   LYS  62          1HD       LYS  62 -15.236 -14.090  23.005
  495   1HE   LYS  62          2HE       LYS  62 -16.357 -12.030  21.419
  496   2HE   LYS  62          1HE       LYS  62 -16.310 -13.474  20.392
  497   1HZ   LYS  62          2HZ       LYS  62 -17.177 -14.723  22.364
  498   2HZ   LYS  62          1HZ       LYS  62 -17.444 -13.230  23.129
  499   3HZ   LYS  62          3HZ       LYS  62 -18.277 -13.612  21.702
  500    H    GLU  63           HN       GLU  63  -9.636 -10.929  22.845
  501    HA   GLU  63           HA       GLU  63  -8.402 -12.698  24.920
  502   1HB   GLU  63          2HB       GLU  63  -8.007 -12.207  22.092
  503   2HB   GLU  63          1HB       GLU  63  -6.517 -11.888  22.981
  504   1HG   GLU  63          2HG       GLU  63  -6.619 -14.089  24.019
  505   2HG   GLU  63          1HG       GLU  63  -8.180 -14.407  23.254
  506    HA   PRO  64           HA       PRO  64  -7.034  -8.983  26.920
  507   1HB   PRO  64          2HB       PRO  64  -4.787 -10.399  28.027
  508   2HB   PRO  64          1HB       PRO  64  -6.297  -9.961  28.830
  509   1HG   PRO  64          2HG       PRO  64  -5.431 -12.572  28.007
  510   2HG   PRO  64          1HG       PRO  64  -6.946 -12.133  28.799
  511   1HD   PRO  64          2HD       PRO  64  -6.547 -12.946  26.053
  512   2HD   PRO  64          1HD       PRO  64  -8.077 -12.520  26.857
  513    H    ASN  65           HN       ASN  65  -5.092 -10.999  24.836
  514    HA   ASN  65           HA       ASN  65  -2.806  -9.182  24.686
  515   1HB   ASN  65          2HB       ASN  65  -3.724 -11.505  22.962
  516   2HB   ASN  65          1HB       ASN  65  -2.115 -10.782  22.927
  517   1HD2  ASN  65          1HD2      ASN  65  -2.466 -13.538  23.615
  518   2HD2  ASN  65          2HD2      ASN  65  -2.073 -13.739  25.254
  519    H    ALA  66           HN       ALA  66  -5.937  -9.178  23.283
  520    HA   ALA  66           HA       ALA  66  -5.619  -8.294  20.659
  521   1HB   ALA  66          2HB       ALA  66  -7.601  -8.362  22.628
  522   2HB   ALA  66          3HB       ALA  66  -7.829  -7.876  20.949
  523   3HB   ALA  66          1HB       ALA  66  -7.500  -6.660  22.182
  524    H    GLN  67           HN       GLN  67  -5.093  -6.473  23.659
  525    HA   GLN  67           HA       GLN  67  -4.775  -3.869  22.558
  526   1HB   GLN  67          2HB       GLN  67  -4.973  -4.559  24.972
  527   2HB   GLN  67          1HB       GLN  67  -3.312  -5.148  24.890
  528   1HG   GLN  67          2HG       GLN  67  -2.573  -2.862  24.217
  529   2HG   GLN  67          1HG       GLN  67  -4.231  -2.296  24.412
  530   1HE2  GLN  67          1HE2      GLN  67  -4.626  -1.397  26.434
  531   2HE2  GLN  67          2HE2      GLN  67  -3.810  -1.809  27.865
  532    H    GLU  68           HN       GLU  68  -2.400  -6.492  23.058
  533    HA   GLU  68           HA       GLU  68  -0.196  -4.928  21.927
  534   1HB   GLU  68          2HB       GLU  68  -0.563  -7.852  22.661
  535   2HB   GLU  68          1HB       GLU  68   0.981  -7.121  22.222
  536   1HG   GLU  68          2HG       GLU  68   0.746  -5.530  24.111
  537   2HG   GLU  68          1HG       GLU  68  -0.776  -6.301  24.557
  538    H    ILE  69           HN       ILE  69  -2.349  -7.551  20.851
  539    HA   ILE  69           HA       ILE  69  -1.091  -8.069  18.329
  540    HB   ILE  69           HB       ILE  69  -3.988  -8.267  19.218
  541   1HG1  ILE  69          2HG1      ILE  69  -1.819 -10.383  19.210
  542   2HG1  ILE  69          1HG1      ILE  69  -2.292  -9.468  20.642
  543   1HG2  ILE  69          1HG2      ILE  69  -2.506  -9.131  16.781
  544   2HG2  ILE  69          3HG2      ILE  69  -3.672 -10.271  17.453
  545   3HG2  ILE  69          2HG2      ILE  69  -4.196  -8.660  16.960
  546   1HD1  ILE  69          1HD1      ILE  69  -4.641 -10.514  19.325
  547   2HD1  ILE  69          3HD1      ILE  69  -3.499 -11.821  19.641
  548   3HD1  ILE  69          2HD1      ILE  69  -4.071 -10.811  20.968
  549    H    LEU  70           HN       LEU  70  -3.751  -5.875  19.253
  550    HA   LEU  70           HA       LEU  70  -4.464  -4.866  16.733
  551   1HB   LEU  70          2HB       LEU  70  -5.650  -4.339  18.785
  552   2HB   LEU  70          1HB       LEU  70  -4.229  -3.536  19.450
  553    HG   LEU  70           HG       LEU  70  -6.087  -2.052  18.406
  554   1HD1  LEU  70          2HD1      LEU  70  -3.451  -1.654  18.831
  555   2HD1  LEU  70          1HD1      LEU  70  -3.495  -1.442  17.081
  556   3HD1  LEU  70          3HD1      LEU  70  -4.495  -0.424  18.117
  557   1HD2  LEU  70          3HD2      LEU  70  -4.732  -3.176  15.937
  558   2HD2  LEU  70          2HD2      LEU  70  -6.440  -3.303  16.356
  559   3HD2  LEU  70          1HD2      LEU  70  -5.749  -1.736  15.933
  560    H    GLN  71           HN       GLN  71  -2.009  -3.474  18.962
  561    HA   GLN  71           HA       GLN  71  -1.041  -1.390  17.389
  562   1HB   GLN  71          2HB       GLN  71   0.427  -3.385  19.143
  563   2HB   GLN  71          1HB       GLN  71   1.105  -1.844  18.616
  564   1HG   GLN  71          2HG       GLN  71  -0.737  -0.643  19.722
  565   2HG   GLN  71          1HG       GLN  71  -1.444  -2.176  20.229
  566   1HE2  GLN  71          1HE2      GLN  71  -0.653  -0.253  22.177
  567   2HE2  GLN  71          2HE2      GLN  71   0.687  -0.854  23.026
  568    H    ARG  72           HN       ARG  72   0.192  -4.757  17.361
  569    HA   ARG  72           HA       ARG  72   2.057  -4.457  15.251
  570   1HB   ARG  72          2HB       ARG  72   0.352  -6.816  16.114
  571   2HB   ARG  72          1HB       ARG  72   1.795  -6.938  15.106
  572   1HG   ARG  72          2HG       ARG  72   3.121  -5.879  16.930
  573   2HG   ARG  72          1HG       ARG  72   1.675  -5.858  17.940
  574   1HD   ARG  72          2HD       ARG  72   1.537  -8.371  17.649
  575   2HD   ARG  72          1HD       ARG  72   3.123  -8.301  16.860
  576    HE   ARG  72           HE       ARG  72   3.414  -6.837  19.231
  577   1HH1  ARG  72          1HH1      ARG  72   2.182  -9.957  18.458
  578   2HH1  ARG  72          2HH1      ARG  72   2.890 -10.728  19.837
  579   1HH2  ARG  72          1HH2      ARG  72   4.470  -7.857  20.966
  580   2HH2  ARG  72          2HH2      ARG  72   4.186  -9.540  21.256
  581    H    LEU  73           HN       LEU  73  -1.189  -5.970  14.970
  582    HA   LEU  73           HA       LEU  73  -1.382  -6.214  12.216
  583   1HB   LEU  73          2HB       LEU  73  -3.492  -5.231  14.167
  584   2HB   LEU  73          1HB       LEU  73  -3.821  -5.955  12.593
  585    HG   LEU  73           HG       LEU  73  -2.479  -7.283  14.965
  586   1HD1  LEU  73          3HD1      LEU  73  -5.147  -7.480  13.602
  587   2HD1  LEU  73          2HD1      LEU  73  -4.467  -8.912  14.376
  588   3HD1  LEU  73          1HD1      LEU  73  -4.775  -7.458  15.326
  589   1HD2  LEU  73          3HD2      LEU  73  -2.311  -7.820  12.098
  590   2HD2  LEU  73          2HD2      LEU  73  -1.383  -8.522  13.424
  591   3HD2  LEU  73          1HD2      LEU  73  -2.956  -9.194  12.994
  592    H    GLU  74           HN       GLU  74  -2.359  -3.301  14.068
  593    HA   GLU  74           HA       GLU  74  -3.050  -1.639  11.900
  594   1HB   GLU  74          2HB       GLU  74  -1.690  -0.970  14.529
  595   2HB   GLU  74          1HB       GLU  74  -2.572   0.177  13.520
  596   1HG   GLU  74          2HG       GLU  74  -3.782  -2.346  14.682
  597   2HG   GLU  74          1HG       GLU  74  -3.941  -0.749  15.410
  598    H    GLU  75           HN       GLU  75   0.167  -1.985  13.471
  599    HA   GLU  75           HA       GLU  75   1.582  -0.098  11.924
  600   1HB   GLU  75          2HB       GLU  75   2.322  -1.329  13.977
  601   2HB   GLU  75          1HB       GLU  75   2.528  -2.776  12.990
  602   1HG   GLU  75          2HG       GLU  75   4.687  -1.709  13.168
  603   2HG   GLU  75          1HG       GLU  75   4.101  -1.445  11.526
  604    H    ILE  76           HN       ILE  76   1.309  -3.631  11.331
  605    HA   ILE  76           HA       ILE  76   2.708  -3.605   8.832
  606    HB   ILE  76           HB       ILE  76   0.523  -5.447   9.858
  607   1HG1  ILE  76          2HG1      ILE  76   2.224  -5.302  11.542
  608   2HG1  ILE  76          1HG1      ILE  76   2.543  -6.786  10.646
  609   1HG2  ILE  76          1HG2      ILE  76   2.760  -5.843   7.846
  610   2HG2  ILE  76          3HG2      ILE  76   1.720  -7.131   8.452
  611   3HG2  ILE  76          2HG2      ILE  76   1.032  -5.819   7.495
  612   1HD1  ILE  76          2HD1      ILE  76   4.129  -5.405   9.193
  613   2HD1  ILE  76          1HD1      ILE  76   3.964  -4.127  10.398
  614   3HD1  ILE  76          3HD1      ILE  76   4.656  -5.684  10.854
  615    H    ALA  77           HN       ALA  77  -0.706  -3.158   9.664
  616    HA   ALA  77           HA       ALA  77  -1.837  -3.284   7.058
  617   1HB   ALA  77          1HB       ALA  77  -2.680  -2.850   9.632
  618   2HB   ALA  77          2HB       ALA  77  -3.705  -2.646   8.211
  619   3HB   ALA  77          3HB       ALA  77  -2.898  -1.250   8.923
  620    H    GLU  78           HN       GLU  78  -0.154  -0.679   8.753
  621    HA   GLU  78           HA       GLU  78  -0.795   1.490   7.024
  622   1HB   GLU  78          2HB       GLU  78   0.300   1.562   9.274
  623   2HB   GLU  78          1HB       GLU  78   1.771   0.920   8.542
  624   1HG   GLU  78          2HG       GLU  78   1.798   2.882   6.990
  625   2HG   GLU  78          1HG       GLU  78   0.404   3.539   7.848
  626    H    ASP  79           HN       ASP  79   1.769  -0.984   6.800
  627    HA   ASP  79           HA       ASP  79   2.104  -0.292   3.929
  628   1HB   ASP  79          2HB       ASP  79   4.670  -0.339   4.490
  629   2HB   ASP  79          1HB       ASP  79   3.748   1.129   4.803
  630    HA   PRO  80           HA       PRO  80   2.705  -4.598   3.367
  631   1HB   PRO  80          2HB       PRO  80   4.977  -4.288   1.631
  632   2HB   PRO  80          1HB       PRO  80   3.295  -4.576   1.179
  633   1HG   PRO  80          2HG       PRO  80   4.814  -2.158   0.873
  634   2HG   PRO  80          1HG       PRO  80   3.130  -2.446   0.425
  635   1HD   PRO  80          2HD       PRO  80   4.136  -0.845   2.609
  636   2HD   PRO  80          1HD       PRO  80   2.440  -1.130   2.153
  637    H    GLY  81           HN       GLY  81   5.993  -3.126   3.285
  638   1HA   GLY  81          1HA       GLY  81   6.749  -4.408   5.785
  639   2HA   GLY  81          2HA       GLY  81   7.831  -3.529   4.705
  640    H    THR  82           HN       THR  82   7.967  -6.298   6.029
  641    HA   THR  82           HA       THR  82   9.149  -7.672   3.727
  642    HB   THR  82           HB       THR  82   9.777  -9.301   5.464
  643    HG1  THR  82          1HG       THR  82   7.741  -9.161   6.571
  644   1HG2  THR  82          2HG2      THR  82  10.264  -6.446   5.619
  645   2HG2  THR  82          1HG2      THR  82  10.367  -7.190   7.215
  646   3HG2  THR  82          3HG2      THR  82  11.380  -7.783   5.898
  647    H    CYS  83           HN       CYS  83   6.122  -7.689   5.425
  648    HA   CYS  83           HA       CYS  83   5.127 -10.283   4.976
  649   1HB   CYS  83          2HB       CYS  83   4.084  -8.336   6.213
  650   2HB   CYS  83          1HB       CYS  83   3.619  -7.672   4.648
  651    H    GLU  84           HN       GLU  84   4.845  -7.453   2.796
  652    HA   GLU  84           HA       GLU  84   3.553  -8.748   0.636
  653   1HB   GLU  84          2HB       GLU  84   3.890  -6.304   0.996
  654   2HB   GLU  84          1HB       GLU  84   5.595  -6.505   0.596
  655   1HG   GLU  84          2HG       GLU  84   4.914  -7.431  -1.628
  656   2HG   GLU  84          1HG       GLU  84   3.234  -7.077  -1.222
  657    H    ILE  85           HN       ILE  85   7.016  -8.613   1.462
  658    HA   ILE  85           HA       ILE  85   7.678 -10.066  -1.050
  659    HB   ILE  85           HB       ILE  85   9.946  -9.446  -0.505
  660   1HG1  ILE  85          2HG1      ILE  85   8.792  -8.847   2.225
  661   2HG1  ILE  85          1HG1      ILE  85  10.070  -9.993   1.824
  662   1HG2  ILE  85          3HG2      ILE  85   8.022  -7.236   0.281
  663   2HG2  ILE  85          2HG2      ILE  85   9.706  -6.992  -0.179
  664   3HG2  ILE  85          1HG2      ILE  85   8.552  -7.617  -1.357
  665   1HD1  ILE  85          3HD1      ILE  85  11.174  -7.742   0.826
  666   2HD1  ILE  85          2HD1      ILE  85  10.193  -7.033   2.109
  667   3HD1  ILE  85          1HD1      ILE  85  11.407  -8.251   2.498
  668    H    CYS  86           HN       CYS  86   6.401 -11.091   1.684
  669    HA   CYS  86           HA       CYS  86   6.475 -13.126   2.885
  670   1HB   CYS  86          2HB       CYS  86   7.319 -13.523   0.153
  671   2HB   CYS  86          1HB       CYS  86   8.179 -14.645   1.208
  672    H    ALA  87           HN       ALA  87   8.916 -11.070   2.841
  673    HA   ALA  87           HA       ALA  87  11.266 -12.582   3.492
  674   1HB   ALA  87          2HB       ALA  87  11.558 -10.219   4.807
  675   2HB   ALA  87          3HB       ALA  87  10.235  -9.806   3.716
  676   3HB   ALA  87          1HB       ALA  87  11.768 -10.383   3.065
  677    H    TYR  88           HN       TYR  88   8.351 -12.020   5.223
  678    HA   TYR  88           HA       TYR  88   9.573 -13.222   7.673
  679   1HB   TYR  88          2HB       TYR  88   9.412 -10.710   7.788
  680   2HB   TYR  88          1HB       TYR  88   7.666 -10.862   7.601
  681    HD1  TYR  88           HD1      TYR  88  10.260 -12.719   9.590
  682    HD2  TYR  88           HD2      TYR  88   6.558 -10.539   9.622
  683    HE1  TYR  88           HE1      TYR  88  10.036 -13.134  12.023
  684    HE2  TYR  88           HE2      TYR  88   6.335 -10.954  12.056
  685    HH   TYR  88           HH       TYR  88   7.376 -12.978  13.675
  686    H    ALA  89           HN       ALA  89   7.783 -14.023   9.170
  687    HA   ALA  89           HA       ALA  89   5.859 -15.601   7.663
  688   1HB   ALA  89          3HB       ALA  89   7.169 -16.004   9.914
  689   2HB   ALA  89          2HB       ALA  89   5.796 -15.168  10.639
  690   3HB   ALA  89          1HB       ALA  89   5.542 -16.658   9.730
  691    H    ALA  90           HN       ALA  90   5.799 -12.390   8.414
  692    HA   ALA  90           HA       ALA  90   3.227 -11.947   9.575
  693   1HB   ALA  90          2HB       ALA  90   5.146 -10.419   7.832
  694   2HB   ALA  90          1HB       ALA  90   3.579  -9.717   8.237
  695   3HB   ALA  90          3HB       ALA  90   4.717 -10.133   9.518
  696    H    CYS  91           HN       CYS  91   4.250 -12.404   6.196
  697    HA   CYS  91           HA       CYS  91   1.410 -12.146   5.315
  698   1HB   CYS  91          2HB       CYS  91   4.030 -11.516   4.269
  699   2HB   CYS  91          1HB       CYS  91   3.156 -12.544   3.135
  700    H    THR  92           HN       THR  92   0.293 -14.037   5.094
  701    HA   THR  92           HA       THR  92   1.838 -16.552   4.575
  702    HB   THR  92           HB       THR  92   0.078 -17.649   5.782
  703    HG1  THR  92          1HG       THR  92  -1.661 -16.013   6.506
  704   1HG2  THR  92          1HG2      THR  92   1.689 -15.863   6.964
  705   2HG2  THR  92          3HG2      THR  92   0.138 -15.112   7.343
  706   3HG2  THR  92          2HG2      THR  92   0.470 -16.762   7.868
  707    H    GLY  93           HN       GLY  93   0.605 -18.174   3.212
  708   1HA   GLY  93          1HA       GLY  93  -1.378 -16.987   1.361
  709   2HA   GLY  93          2HA       GLY  93  -0.970 -18.700   1.474
  710    H    CYS  94           HN       CYS  94   1.562 -16.294   1.339
  711    HA   CYS  94           HA       CYS  94   1.922 -16.422  -1.556
  712   1HB   CYS  94          2HB       CYS  94   3.974 -15.121  -0.956
  713   2HB   CYS  94          1HB       CYS  94   2.513 -14.454  -0.230

  No H/Q in entry =         713
  Start of MODEL    5
    1    H1   VAL   1          2H        VAL   1  -2.445 -12.367   0.520
    2    H2   VAL   1          1H        VAL   1  -2.486 -10.981  -0.461
    3    H3   VAL   1          3H        VAL   1  -1.262 -12.135  -0.678
    4    HA   VAL   1           HA       VAL   1  -0.173 -11.550   1.300
    5    HB   VAL   1           HB       VAL   1  -1.352  -9.208  -0.214
    6   1HG1  VAL   1          2HG1      VAL   1  -0.031  -9.087   2.272
    7   2HG1  VAL   1          1HG1      VAL   1   1.188  -8.664   1.070
    8   3HG1  VAL   1          3HG1      VAL   1  -0.318  -7.750   1.159
    9   1HG2  VAL   1          3HG2      VAL   1   0.602 -11.180  -0.800
   10   2HG2  VAL   1          2HG2      VAL   1   0.195  -9.754  -1.754
   11   3HG2  VAL   1          1HG2      VAL   1   1.470  -9.667  -0.539
   12    H    THR   2           HN       THR   2  -1.661 -12.354   3.031
   13    HA   THR   2           HA       THR   2  -3.216 -10.125   4.310
   14    HB   THR   2           HB       THR   2  -3.611 -13.127   4.530
   15    HG1  THR   2          1HG       THR   2  -5.272 -11.352   3.121
   16   1HG2  THR   2          3HG2      THR   2  -4.447 -11.635   6.400
   17   2HG2  THR   2          2HG2      THR   2  -5.501 -10.863   5.214
   18   3HG2  THR   2          1HG2      THR   2  -5.698 -12.576   5.587
   19    H    VAL   3           HN       VAL   3  -2.917  -9.841   6.561
   20    HA   VAL   3           HA       VAL   3  -0.406 -10.969   7.647
   21    HB   VAL   3           HB       VAL   3  -2.138  -8.629   8.010
   22   1HG1  VAL   3          3HG1      VAL   3  -1.151 -10.174  10.395
   23   2HG1  VAL   3          2HG1      VAL   3  -1.206  -8.413  10.455
   24   3HG1  VAL   3          1HG1      VAL   3  -2.685  -9.333  10.177
   25   1HG2  VAL   3          1HG2      VAL   3   0.751  -9.387   8.246
   26   2HG2  VAL   3          3HG2      VAL   3   0.002  -8.149   7.239
   27   3HG2  VAL   3          2HG2      VAL   3   0.209  -7.872   8.970
   28    H    GLN   4           HN       GLN   4  -0.501 -12.840   8.801
   29    HA   GLN   4           HA       GLN   4  -3.055 -13.503  10.225
   30   1HB   GLN   4          2HB       GLN   4  -2.312 -15.006   8.400
   31   2HB   GLN   4          1HB       GLN   4  -0.777 -15.251   9.233
   32   1HG   GLN   4          2HG       GLN   4  -1.978 -16.206  11.167
   33   2HG   GLN   4          1HG       GLN   4  -3.514 -15.956  10.338
   34   1HE2  GLN   4          1HE2      GLN   4  -3.133 -18.552  10.943
   35   2HE2  GLN   4          2HE2      GLN   4  -2.609 -19.456   9.606
   36    H    ASP   5           HN       ASP   5  -2.979 -13.554  12.418
   37    HA   ASP   5           HA       ASP   5  -0.370 -13.212  13.789
   38   1HB   ASP   5          2HB       ASP   5  -3.272 -13.091  14.664
   39   2HB   ASP   5          1HB       ASP   5  -1.908 -12.767  15.734
   40    H    GLY   6           HN       GLY   6  -3.199 -14.946  15.015
   41   1HA   GLY   6          1HA       GLY   6  -3.078 -16.923  16.377
   42   2HA   GLY   6          2HA       GLY   6  -1.422 -17.170  15.826
   43    H    ASN   7           HN       ASN   7  -4.329 -18.578  15.662
   44    HA   ASN   7           HA       ASN   7  -3.657 -20.049  13.204
   45   1HB   ASN   7          2HB       ASN   7  -5.957 -20.256  15.174
   46   2HB   ASN   7          1HB       ASN   7  -5.530 -21.468  13.966
   47   1HD2  ASN   7          1HD2      ASN   7  -2.580 -20.960  14.409
   48   2HD2  ASN   7          2HD2      ASN   7  -2.215 -21.720  15.882
   49    H    PHE   8           HN       PHE   8  -5.045 -17.134  13.581
   50    HA   PHE   8           HA       PHE   8  -7.115 -17.615  11.461
   51   1HB   PHE   8          2HB       PHE   8  -6.945 -15.551  13.680
   52   2HB   PHE   8          1HB       PHE   8  -8.242 -15.642  12.489
   53    HD1  PHE   8           HD1      PHE   8  -9.744 -17.642  12.427
   54    HD2  PHE   8           HD2      PHE   8  -6.840 -17.066  15.539
   55    HE1  PHE   8           HE1      PHE   8 -10.901 -19.336  13.821
   56    HE2  PHE   8           HE2      PHE   8  -7.997 -18.760  16.933
   57    HZ   PHE   8           HZ       PHE   8 -10.028 -19.895  16.074
   58    H    SER   9           HN       SER   9  -6.926 -16.376   9.602
   59    HA   SER   9           HA       SER   9  -4.502 -14.715   9.290
   60   1HB   SER   9          2HB       SER   9  -5.276 -16.438   7.641
   61   2HB   SER   9          1HB       SER   9  -6.715 -15.460   7.349
   62    HG   SER   9           HG       SER   9  -4.331 -15.220   6.244
   63    H    PHE  10           HN       PHE  10  -4.550 -12.496   9.377
   64    HA   PHE  10           HA       PHE  10  -7.236 -11.157   9.316
   65   1HB   PHE  10          2HB       PHE  10  -4.674 -10.420  10.767
   66   2HB   PHE  10          1HB       PHE  10  -6.211  -9.564  10.897
   67    HD1  PHE  10           HD1      PHE  10  -7.915 -12.176  10.721
   68    HD2  PHE  10           HD2      PHE  10  -4.561 -11.003  13.135
   69    HE1  PHE  10           HE1      PHE  10  -8.640 -13.750  12.495
   70    HE2  PHE  10           HE2      PHE  10  -5.286 -12.577  14.908
   71    HZ   PHE  10           HZ       PHE  10  -7.327 -13.950  14.589
   72    H    SER  11           HN       SER  11  -7.493  -9.721   7.637
   73    HA   SER  11           HA       SER  11  -5.298  -9.108   5.825
   74   1HB   SER  11          2HB       SER  11  -7.662  -9.435   5.153
   75   2HB   SER  11          1HB       SER  11  -8.118  -8.007   6.083
   76    HG   SER  11           HG       SER  11  -6.323  -8.095   3.889
   77    H    LEU  12           HN       LEU  12  -4.861  -6.727   5.241
   78    HA   LEU  12           HA       LEU  12  -4.469  -5.192   7.767
   79   1HB   LEU  12          2HB       LEU  12  -3.255  -4.920   5.000
   80   2HB   LEU  12          1HB       LEU  12  -2.731  -4.053   6.444
   81    HG   LEU  12           HG       LEU  12  -2.662  -7.056   6.024
   82   1HD1  LEU  12          2HD1      LEU  12  -0.907  -5.539   4.912
   83   2HD1  LEU  12          1HD1      LEU  12  -0.359  -5.170   6.547
   84   3HD1  LEU  12          3HD1      LEU  12  -0.295  -6.829   5.949
   85   1HD2  LEU  12          2HD2      LEU  12  -2.408  -5.322   8.432
   86   2HD2  LEU  12          1HD2      LEU  12  -2.985  -6.983   8.299
   87   3HD2  LEU  12          3HD2      LEU  12  -1.255  -6.646   8.282
   88    H    GLU  13           HN       GLU  13  -6.647  -5.270   5.213
   89    HA   GLU  13           HA       GLU  13  -6.898  -2.430   4.651
   90   1HB   GLU  13          2HB       GLU  13  -8.825  -4.753   4.325
   91   2HB   GLU  13          1HB       GLU  13  -8.965  -3.186   3.528
   92   1HG   GLU  13          2HG       GLU  13  -6.844  -3.552   2.366
   93   2HG   GLU  13          1HG       GLU  13  -6.611  -5.075   3.225
   94    H    SER  14           HN       SER  14  -9.418  -4.504   6.087
   95    HA   SER  14           HA       SER  14 -10.999  -2.602   7.298
   96   1HB   SER  14          2HB       SER  14 -10.166  -5.179   8.647
   97   2HB   SER  14          1HB       SER  14 -11.743  -4.391   8.709
   98    HG   SER  14           HG       SER  14 -11.547  -4.690   6.264
   99    H    VAL  15           HN       VAL  15  -8.001  -3.974   8.699
  100    HA   VAL  15           HA       VAL  15  -8.198  -2.558  11.190
  101    HB   VAL  15           HB       VAL  15  -5.680  -3.067  11.198
  102   1HG1  VAL  15          2HG1      VAL  15  -7.880  -4.603  11.714
  103   2HG1  VAL  15          1HG1      VAL  15  -7.047  -5.602  10.521
  104   3HG1  VAL  15          3HG1      VAL  15  -6.221  -5.130  12.006
  105   1HG2  VAL  15          1HG2      VAL  15  -5.445  -3.037   8.706
  106   2HG2  VAL  15          3HG2      VAL  15  -4.851  -4.525   9.437
  107   3HG2  VAL  15          2HG2      VAL  15  -6.418  -4.505   8.631
  108    H    LYS  16           HN       LYS  16  -6.483  -1.779   8.132
  109    HA   LYS  16           HA       LYS  16  -5.265   0.638   8.929
  110   1HB   LYS  16          2HB       LYS  16  -4.895  -0.420   6.763
  111   2HB   LYS  16          1HB       LYS  16  -6.591  -0.207   6.330
  112   1HG   LYS  16          2HG       LYS  16  -6.241   2.289   6.581
  113   2HG   LYS  16          1HG       LYS  16  -4.515   1.961   6.738
  114   1HD   LYS  16          2HD       LYS  16  -4.490   0.896   4.531
  115   2HD   LYS  16          1HD       LYS  16  -6.231   1.130   4.378
  116   1HE   LYS  16          2HE       LYS  16  -4.369   3.471   4.843
  117   2HE   LYS  16          1HE       LYS  16  -4.737   2.881   3.211
  118   1HZ   LYS  16          3HZ       LYS  16  -7.164   2.884   4.238
  119   2HZ   LYS  16          2HZ       LYS  16  -6.500   4.125   5.188
  120   3HZ   LYS  16          1HZ       LYS  16  -6.510   4.262   3.495
  121    H    LYS  17           HN       LYS  17  -8.549   0.084   7.639
  122    HA   LYS  17           HA       LYS  17  -9.360   2.869   8.045
  123   1HB   LYS  17          2HB       LYS  17 -10.174   1.351   6.228
  124   2HB   LYS  17          1HB       LYS  17 -10.956   0.353   7.455
  125   1HG   LYS  17          2HG       LYS  17 -12.673   1.798   6.686
  126   2HG   LYS  17          1HG       LYS  17 -12.137   2.521   8.202
  127   1HD   LYS  17          2HD       LYS  17 -10.725   4.102   6.994
  128   2HD   LYS  17          1HD       LYS  17 -11.129   3.333   5.460
  129   1HE   LYS  17          2HE       LYS  17 -13.383   4.095   5.546
  130   2HE   LYS  17          1HE       LYS  17 -13.264   4.488   7.273
  131   1HZ   LYS  17          1HZ       LYS  17 -11.390   5.713   5.358
  132   2HZ   LYS  17          3HZ       LYS  17 -12.952   6.357   5.505
  133   3HZ   LYS  17          2HZ       LYS  17 -11.926   6.302   6.859
  134    H    LEU  18           HN       LEU  18  -8.855   0.324  10.160
  135    HA   LEU  18           HA       LEU  18 -11.176   0.402  11.848
  136   1HB   LEU  18          2HB       LEU  18  -9.432  -1.362  11.775
  137   2HB   LEU  18          1HB       LEU  18  -8.256  -0.214  12.412
  138    HG   LEU  18           HG       LEU  18  -9.691   0.058  14.441
  139   1HD1  LEU  18          2HD1      LEU  18 -11.804  -0.674  13.259
  140   2HD1  LEU  18          1HD1      LEU  18 -11.196  -2.329  13.333
  141   3HD1  LEU  18          3HD1      LEU  18 -11.541  -1.448  14.822
  142   1HD2  LEU  18          1HD2      LEU  18  -7.810  -1.764  14.008
  143   2HD2  LEU  18          3HD2      LEU  18  -8.779  -1.813  15.481
  144   3HD2  LEU  18          2HD2      LEU  18  -9.169  -2.882  14.133
  145    H    LYS  19           HN       LYS  19  -8.095   2.206  11.875
  146    HA   LYS  19           HA       LYS  19  -8.392   3.590  14.327
  147   1HB   LYS  19          2HB       LYS  19  -6.387   3.506  12.840
  148   2HB   LYS  19          1HB       LYS  19  -7.222   4.561  11.698
  149   1HG   LYS  19          2HG       LYS  19  -7.432   6.280  13.494
  150   2HG   LYS  19          1HG       LYS  19  -6.500   5.235  14.567
  151   1HD   LYS  19          2HD       LYS  19  -4.617   5.287  12.945
  152   2HD   LYS  19          1HD       LYS  19  -5.546   6.387  11.927
  153   1HE   LYS  19          2HE       LYS  19  -4.520   8.039  13.135
  154   2HE   LYS  19          1HE       LYS  19  -5.676   7.613  14.412
  155   1HZ   LYS  19          3HZ       LYS  19  -3.217   6.025  14.039
  156   2HZ   LYS  19          2HZ       LYS  19  -3.149   7.483  14.909
  157   3HZ   LYS  19          1HZ       LYS  19  -4.157   6.220  15.437
  158    H    ASP  20           HN       ASP  20  -9.518   4.513  11.059
  159    HA   ASP  20           HA       ASP  20 -11.280   6.574  12.346
  160   1HB   ASP  20          2HB       ASP  20  -9.450   7.390  10.858
  161   2HB   ASP  20          1HB       ASP  20 -10.126   6.432   9.540
  162    H    LEU  21           HN       LEU  21 -12.673   4.470  12.580
  163    HA   LEU  21           HA       LEU  21 -13.804   3.072  10.415
  164   1HB   LEU  21          2HB       LEU  21 -14.031   2.715  12.923
  165   2HB   LEU  21          1HB       LEU  21 -15.247   3.993  12.915
  166    HG   LEU  21           HG       LEU  21 -16.464   2.665  11.120
  167   1HD1  LEU  21          1HD1      LEU  21 -14.188   1.267  10.867
  168   2HD1  LEU  21          3HD1      LEU  21 -14.993   0.245  12.058
  169   3HD1  LEU  21          2HD1      LEU  21 -15.761   0.559  10.502
  170   1HD2  LEU  21          3HD2      LEU  21 -16.790   2.624  13.748
  171   2HD2  LEU  21          2HD2      LEU  21 -17.667   1.488  12.724
  172   3HD2  LEU  21          1HD2      LEU  21 -16.214   0.966  13.578
  173    H    GLN  22           HN       GLN  22 -15.004   6.091  11.940
  174    HA   GLN  22           HA       GLN  22 -16.609   7.646  11.145
  175   1HB   GLN  22          2HB       GLN  22 -14.441   7.415   9.496
  176   2HB   GLN  22          1HB       GLN  22 -15.752   7.093   8.362
  177   1HG   GLN  22          2HG       GLN  22 -16.882   9.191   9.263
  178   2HG   GLN  22          1HG       GLN  22 -15.369   9.543  10.099
  179   1HE2  GLN  22          1HE2      GLN  22 -14.235  11.074   8.898
  180   2HE2  GLN  22          2HE2      GLN  22 -14.081  11.070   7.208
  181    H    GLU  23           HN       GLU  23 -18.221   7.827   9.003
  182    HA   GLU  23           HA       GLU  23 -20.286   5.970   9.354
  183   1HB   GLU  23          2HB       GLU  23 -21.081   6.830   7.178
  184   2HB   GLU  23          1HB       GLU  23 -20.408   8.138   8.151
  185   1HG   GLU  23          2HG       GLU  23 -18.230   7.837   6.943
  186   2HG   GLU  23          1HG       GLU  23 -19.022   6.658   5.897
  187    HA   PRO  24           HA       PRO  24 -18.888   2.183   7.588
  188   1HB   PRO  24          2HB       PRO  24 -21.490   1.592   6.512
  189   2HB   PRO  24          1HB       PRO  24 -20.752   0.960   7.987
  190   1HG   PRO  24          2HG       PRO  24 -22.899   2.861   7.753
  191   2HG   PRO  24          1HG       PRO  24 -22.176   2.213   9.228
  192   1HD   PRO  24          2HD       PRO  24 -21.910   4.876   8.157
  193   2HD   PRO  24          1HD       PRO  24 -21.154   4.213   9.625
  194    H    GLN  25           HN       GLN  25 -17.922   1.778   5.613
  195    HA   GLN  25           HA       GLN  25 -19.218   2.358   3.073
  196   1HB   GLN  25          2HB       GLN  25 -18.558   4.616   3.987
  197   2HB   GLN  25          1HB       GLN  25 -16.876   4.089   3.922
  198   1HG   GLN  25          2HG       GLN  25 -17.176   3.632   1.473
  199   2HG   GLN  25          1HG       GLN  25 -18.790   4.330   1.583
  200   1HE2  GLN  25          1HE2      GLN  25 -17.291   6.158   3.789
  201   2HE2  GLN  25          2HE2      GLN  25 -16.651   7.392   2.815
  202    H    GLU  26           HN       GLU  26 -18.076  -0.008   3.980
  203    HA   GLU  26           HA       GLU  26 -15.606  -0.191   2.288
  204   1HB   GLU  26          2HB       GLU  26 -15.727  -0.343   5.035
  205   2HB   GLU  26          1HB       GLU  26 -15.831  -2.040   4.570
  206   1HG   GLU  26          2HG       GLU  26 -13.649  -0.055   3.909
  207   2HG   GLU  26          1HG       GLU  26 -13.500  -1.592   4.761
  208    HA   PRO  27           HA       PRO  27 -19.107  -3.359   1.435
  209   1HB   PRO  27          2HB       PRO  27 -19.209  -2.327  -1.248
  210   2HB   PRO  27          1HB       PRO  27 -20.480  -2.292  -0.022
  211   1HG   PRO  27          2HG       PRO  27 -18.886  -0.098  -0.991
  212   2HG   PRO  27          1HG       PRO  27 -20.185  -0.057   0.203
  213   1HD   PRO  27          2HD       PRO  27 -17.363   0.262   0.669
  214   2HD   PRO  27          1HD       PRO  27 -18.670   0.240   1.876
  215    H    ARG  28           HN       ARG  28 -16.323  -2.086  -0.317
  216    HA   ARG  28           HA       ARG  28 -15.538  -4.884  -1.023
  217   1HB   ARG  28          2HB       ARG  28 -15.601  -2.445  -2.831
  218   2HB   ARG  28          1HB       ARG  28 -14.913  -4.006  -3.279
  219   1HG   ARG  28          2HG       ARG  28 -17.128  -5.068  -2.879
  220   2HG   ARG  28          1HG       ARG  28 -17.801  -3.479  -2.512
  221   1HD   ARG  28          2HD       ARG  28 -16.533  -4.290  -5.156
  222   2HD   ARG  28          1HD       ARG  28 -18.267  -4.052  -4.863
  223    HE   ARG  28           HE       ARG  28 -16.199  -1.910  -4.865
  224   1HH1  ARG  28          1HH1      ARG  28 -18.922  -2.245  -6.403
  225   2HH1  ARG  28          2HH1      ARG  28 -19.831  -0.977  -5.650
  226   1HH2  ARG  28          1HH2      ARG  28 -17.592  -0.571  -3.032
  227   2HH2  ARG  28          2HH2      ARG  28 -19.077  -0.029  -3.741
  228    H    VAL  29           HN       VAL  29 -13.142  -4.790  -1.864
  229    HA   VAL  29           HA       VAL  29 -11.625  -2.769  -0.243
  230    HB   VAL  29           HB       VAL  29 -10.037  -4.610   0.202
  231   1HG1  VAL  29          2HG1      VAL  29 -12.957  -4.950   0.825
  232   2HG1  VAL  29          1HG1      VAL  29 -11.810  -6.184   1.348
  233   3HG1  VAL  29          3HG1      VAL  29 -11.631  -4.520   1.906
  234   1HG2  VAL  29          2HG2      VAL  29 -10.656  -5.747  -2.040
  235   2HG2  VAL  29          1HG2      VAL  29 -10.332  -6.794  -0.657
  236   3HG2  VAL  29          3HG2      VAL  29 -11.995  -6.469  -1.147
  237    H    GLY  30           HN       GLY  30  -9.506  -2.207  -1.144
  238   1HA   GLY  30          1HA       GLY  30  -8.416  -1.306  -3.066
  239   2HA   GLY  30          2HA       GLY  30  -9.520  -2.222  -4.091
  240    H    LYS  31           HN       LYS  31  -7.087  -2.463  -4.997
  241    HA   LYS  31           HA       LYS  31  -6.391  -5.232  -4.724
  242   1HB   LYS  31          2HB       LYS  31  -4.906  -2.820  -5.819
  243   2HB   LYS  31          1HB       LYS  31  -4.424  -4.493  -6.098
  244   1HG   LYS  31          2HG       LYS  31  -6.589  -4.952  -7.175
  245   2HG   LYS  31          1HG       LYS  31  -7.103  -3.293  -6.867
  246   1HD   LYS  31          2HD       LYS  31  -6.311  -3.394  -9.146
  247   2HD   LYS  31          1HD       LYS  31  -5.100  -2.523  -8.205
  248   1HE   LYS  31          2HE       LYS  31  -3.691  -4.494  -8.070
  249   2HE   LYS  31          1HE       LYS  31  -4.952  -5.497  -8.812
  250   1HZ   LYS  31          2HZ       LYS  31  -4.188  -3.053 -10.217
  251   2HZ   LYS  31          1HZ       LYS  31  -3.059  -4.323 -10.241
  252   3HZ   LYS  31          3HZ       LYS  31  -4.624  -4.571 -10.845
  253    H    LEU  32           HN       LEU  32  -4.997  -2.263  -3.333
  254    HA   LEU  32           HA       LEU  32  -3.842  -3.801  -1.114
  255   1HB   LEU  32          2HB       LEU  32  -2.255  -4.108  -3.014
  256   2HB   LEU  32          1HB       LEU  32  -2.079  -2.356  -3.120
  257    HG   LEU  32           HG       LEU  32  -1.363  -2.396  -0.680
  258   1HD1  LEU  32          2HD1      LEU  32  -2.015  -5.199  -1.096
  259   2HD1  LEU  32          1HD1      LEU  32  -0.357  -5.010  -0.527
  260   3HD1  LEU  32          3HD1      LEU  32  -1.693  -4.343   0.412
  261   1HD2  LEU  32          2HD2      LEU  32   0.180  -2.329  -2.721
  262   2HD2  LEU  32          1HD2      LEU  32   0.905  -2.910  -1.222
  263   3HD2  LEU  32          3HD2      LEU  32   0.422  -4.058  -2.470
  264    H    ARG  33           HN       ARG  33  -3.723  -2.466   0.673
  265    HA   ARG  33           HA       ARG  33  -3.839   0.495   0.206
  266   1HB   ARG  33          2HB       ARG  33  -5.375  -1.322   2.077
  267   2HB   ARG  33          1HB       ARG  33  -5.308   0.425   2.313
  268   1HG   ARG  33          2HG       ARG  33  -6.094   0.647  -0.108
  269   2HG   ARG  33          1HG       ARG  33  -6.431  -1.083  -0.060
  270   1HD   ARG  33          2HD       ARG  33  -7.916  -0.703   1.920
  271   2HD   ARG  33          1HD       ARG  33  -7.641   1.041   1.748
  272    HE   ARG  33           HE       ARG  33  -8.784  -0.623  -0.473
  273   1HH1  ARG  33          1HH1      ARG  33 -10.336   1.025   1.737
  274   2HH1  ARG  33          2HH1      ARG  33 -10.826   2.379   0.774
  275   1HH2  ARG  33          1HH2      ARG  33  -8.678   1.633  -1.843
  276   2HH2  ARG  33          2HH2      ARG  33  -9.887   2.723  -1.253
  277    H    ASN  34           HN       ASN  34  -2.326   1.637   1.369
  278    HA   ASN  34           HA       ASN  34  -1.164   0.470   3.840
  279   1HB   ASN  34          2HB       ASN  34   0.413   1.216   1.355
  280   2HB   ASN  34          1HB       ASN  34   1.119   0.717   2.892
  281   1HD2  ASN  34          1HD2      ASN  34  -0.213  -1.476   3.694
  282   2HD2  ASN  34          2HD2      ASN  34  -0.243  -2.689   2.508
  283    H    PHE  35           HN       PHE  35  -2.826   2.734   3.634
  284    HA   PHE  35           HA       PHE  35  -0.937   5.050   3.816
  285   1HB   PHE  35          2HB       PHE  35  -3.959   4.953   3.541
  286   2HB   PHE  35          1HB       PHE  35  -2.939   6.384   3.379
  287    HD1  PHE  35           HD1      PHE  35  -0.637   4.857   1.939
  288    HD2  PHE  35           HD2      PHE  35  -4.877   5.074   1.288
  289    HE1  PHE  35           HE1      PHE  35  -0.296   4.337  -0.463
  290    HE2  PHE  35           HE2      PHE  35  -4.536   4.555  -1.113
  291    HZ   PHE  35           HZ       PHE  35  -2.245   4.187  -1.988
  292    H    ALA  36           HN       ALA  36  -2.141   2.821   5.845
  293    HA   ALA  36           HA       ALA  36  -3.534   4.162   7.908
  294   1HB   ALA  36          1HB       ALA  36  -3.234   2.151   8.950
  295   2HB   ALA  36          3HB       ALA  36  -2.545   1.659   7.403
  296   3HB   ALA  36          2HB       ALA  36  -1.486   2.186   8.712
  297    HA   PRO  37           HA       PRO  37  -0.401   7.102   9.136
  298   1HB   PRO  37          2HB       PRO  37  -1.892   7.566  11.550
  299   2HB   PRO  37          1HB       PRO  37  -1.813   8.580  10.108
  300   1HG   PRO  37          2HG       PRO  37  -4.014   6.979  11.014
  301   2HG   PRO  37          1HG       PRO  37  -3.929   7.981   9.565
  302   1HD   PRO  37          2HD       PRO  37  -3.905   5.094   9.738
  303   2HD   PRO  37          1HD       PRO  37  -3.849   6.103   8.273
  304    H    ILE  38           HN       ILE  38  -1.732   5.876  12.181
  305    HA   ILE  38           HA       ILE  38   0.511   4.067  12.697
  306    HB   ILE  38           HB       ILE  38   0.484   6.929  13.493
  307   1HG1  ILE  38          2HG1      ILE  38   3.015   5.631  13.738
  308   2HG1  ILE  38          1HG1      ILE  38   2.230   5.016  12.283
  309   1HG2  ILE  38          2HG2      ILE  38   0.097   5.686  15.661
  310   2HG2  ILE  38          1HG2      ILE  38   1.619   4.843  15.377
  311   3HG2  ILE  38          3HG2      ILE  38   1.609   6.591  15.602
  312   1HD1  ILE  38          1HD1      ILE  38   1.808   7.340  11.538
  313   2HD1  ILE  38          3HD1      ILE  38   2.617   7.944  12.984
  314   3HD1  ILE  38          2HD1      ILE  38   3.531   7.046  11.772
  315    HA   PRO  39           HA       PRO  39  -2.425   2.324  15.471
  316   1HB   PRO  39          2HB       PRO  39  -0.411   1.675  17.423
  317   2HB   PRO  39          1HB       PRO  39  -1.167   0.604  16.241
  318   1HG   PRO  39          2HG       PRO  39   1.513   1.682  16.223
  319   2HG   PRO  39          1HG       PRO  39   0.784   0.546  15.085
  320   1HD   PRO  39          2HD       PRO  39   1.455   3.286  14.604
  321   2HD   PRO  39          1HD       PRO  39   0.591   2.184  13.507
  322    H    GLY  40           HN       GLY  40  -3.650   3.129  17.177
  323   1HA   GLY  40          1HA       GLY  40  -4.295   5.050  18.488
  324   2HA   GLY  40          2HA       GLY  40  -2.603   5.536  18.558
  325    H    GLU  41           HN       GLU  41  -4.891   3.105  19.757
  326    HA   GLU  41           HA       GLU  41  -3.000   2.335  21.913
  327   1HB   GLU  41          2HB       GLU  41  -5.353   4.123  22.127
  328   2HB   GLU  41          1HB       GLU  41  -5.245   2.875  23.369
  329   1HG   GLU  41          2HG       GLU  41  -2.631   3.952  23.016
  330   2HG   GLU  41          1HG       GLU  41  -3.745   5.312  23.160
  331    HA   PRO  42           HA       PRO  42  -4.931  -1.587  21.481
  332   1HB   PRO  42          2HB       PRO  42  -4.884  -2.109  24.310
  333   2HB   PRO  42          1HB       PRO  42  -3.761  -2.691  23.078
  334   1HG   PRO  42          2HG       PRO  42  -3.285  -0.713  25.106
  335   2HG   PRO  42          1HG       PRO  42  -2.164  -1.293  23.872
  336   1HD   PRO  42          2HD       PRO  42  -3.478   1.276  24.009
  337   2HD   PRO  42          1HD       PRO  42  -2.344   0.694  22.768
  338    H    VAL  43           HN       VAL  43  -7.065  -2.323  21.508
  339    HA   VAL  43           HA       VAL  43  -8.956  -1.797  23.612
  340    HB   VAL  43           HB       VAL  43  -8.610   0.502  22.735
  341   1HG1  VAL  43          2HG1      VAL  43  -8.681  -0.882  20.239
  342   2HG1  VAL  43          1HG1      VAL  43 -10.022   0.264  20.256
  343   3HG1  VAL  43          3HG1      VAL  43  -8.373   0.830  20.523
  344   1HG2  VAL  43          3HG2      VAL  43 -11.275  -0.848  22.294
  345   2HG2  VAL  43          2HG2      VAL  43 -10.769   0.154  23.654
  346   3HG2  VAL  43          1HG2      VAL  43 -11.077   0.890  22.081
  347    H    VAL  44           HN       VAL  44  -8.869  -4.169  22.767
  348    HA   VAL  44           HA       VAL  44 -10.927  -4.485  20.606
  349    HB   VAL  44           HB       VAL  44  -8.761  -5.061  19.714
  350   1HG1  VAL  44          1HG1      VAL  44  -7.588  -5.251  21.881
  351   2HG1  VAL  44          3HG1      VAL  44  -8.422  -6.772  22.197
  352   3HG1  VAL  44          2HG1      VAL  44  -7.271  -6.658  20.866
  353   1HG2  VAL  44          2HG2      VAL  44 -10.819  -7.015  20.138
  354   2HG2  VAL  44          1HG2      VAL  44  -9.709  -6.873  18.775
  355   3HG2  VAL  44          3HG2      VAL  44  -9.253  -7.825  20.188
  356    HA   PRO  45           HA       PRO  45 -12.047  -6.522  24.712
  357   1HB   PRO  45          2HB       PRO  45 -14.673  -5.423  24.298
  358   2HB   PRO  45          1HB       PRO  45 -13.511  -5.015  25.562
  359   1HG   PRO  45          2HG       PRO  45 -14.287  -3.427  23.298
  360   2HG   PRO  45          1HG       PRO  45 -13.125  -3.017  24.562
  361   1HD   PRO  45          2HD       PRO  45 -12.581  -3.697  21.809
  362   2HD   PRO  45          1HD       PRO  45 -11.410  -3.286  23.084
  363    H    ILE  46           HN       ILE  46 -13.782  -8.212  24.939
  364    HA   ILE  46           HA       ILE  46 -13.956 -10.031  22.832
  365    HB   ILE  46           HB       ILE  46 -15.932  -9.410  25.053
  366   1HG1  ILE  46          2HG1      ILE  46 -13.686 -11.442  24.896
  367   2HG1  ILE  46          1HG1      ILE  46 -13.572  -9.895  25.736
  368   1HG2  ILE  46          2HG2      ILE  46 -15.650 -11.756  23.172
  369   2HG2  ILE  46          1HG2      ILE  46 -16.418 -11.926  24.751
  370   3HG2  ILE  46          3HG2      ILE  46 -17.100 -10.828  23.552
  371   1HD1  ILE  46          2HD1      ILE  46 -15.763 -11.886  26.344
  372   2HD1  ILE  46          1HD1      ILE  46 -14.203 -11.938  27.164
  373   3HD1  ILE  46          3HD1      ILE  46 -15.234 -10.517  27.322
  374    H    LEU  47           HN       LEU  47 -16.243  -7.401  23.614
  375    HA   LEU  47           HA       LEU  47 -17.959  -8.029  21.313
  376   1HB   LEU  47          2HB       LEU  47 -17.865  -5.639  23.186
  377   2HB   LEU  47          1HB       LEU  47 -19.219  -6.100  22.153
  378    HG   LEU  47           HG       LEU  47 -18.085  -7.709  24.461
  379   1HD1  LEU  47          1HD1      LEU  47 -20.205  -5.733  24.197
  380   2HD1  LEU  47          3HD1      LEU  47 -20.835  -7.278  24.766
  381   3HD1  LEU  47          2HD1      LEU  47 -19.544  -6.470  25.656
  382   1HD2  LEU  47          3HD2      LEU  47 -20.226  -8.327  22.411
  383   2HD2  LEU  47          2HD2      LEU  47 -18.774  -9.264  22.768
  384   3HD2  LEU  47          1HD2      LEU  47 -20.088  -9.191  23.942
  385    H    CYS  48           HN       CYS  48 -14.990  -6.512  21.648
  386    HA   CYS  48           HA       CYS  48 -13.744  -5.123  20.205
  387   1HB   CYS  48          2HB       CYS  48 -15.947  -6.325  18.591
  388   2HB   CYS  48          1HB       CYS  48 -15.037  -5.007  17.854
  389    H    SER  49           HN       SER  49 -13.632  -2.917  20.305
  390    HA   SER  49           HA       SER  49 -15.801  -1.271  21.133
  391   1HB   SER  49          2HB       SER  49 -13.336  -0.850  21.353
  392   2HB   SER  49          1HB       SER  49 -13.286  -0.504  19.625
  393    HG   SER  49           HG       SER  49 -13.717   1.232  21.409
  394    H    ASN  50           HN       ASN  50 -14.385  -1.757  17.891
  395    HA   ASN  50           HA       ASN  50 -16.319   0.023  16.607
  396   1HB   ASN  50          2HB       ASN  50 -14.104  -1.842  15.779
  397   2HB   ASN  50          1HB       ASN  50 -15.160  -1.126  14.563
  398   1HD2  ASN  50          1HD2      ASN  50 -14.209   0.727  13.709
  399   2HD2  ASN  50          2HD2      ASN  50 -13.297   1.854  14.593
  400    HA   PRO  51           HA       PRO  51 -19.411  -3.274  16.653
  401   1HB   PRO  51          2HB       PRO  51 -21.055  -1.525  15.065
  402   2HB   PRO  51          1HB       PRO  51 -21.224  -1.921  16.777
  403   1HG   PRO  51          2HG       PRO  51 -20.324   0.550  15.606
  404   2HG   PRO  51          1HG       PRO  51 -20.527   0.167  17.317
  405   1HD   PRO  51          2HD       PRO  51 -18.060   0.507  15.878
  406   2HD   PRO  51          1HD       PRO  51 -18.267   0.060  17.586
  407    H    ASN  52           HN       ASN  52 -17.703  -1.811  14.075
  408    HA   ASN  52           HA       ASN  52 -18.589  -3.996  12.234
  409   1HB   ASN  52          2HB       ASN  52 -18.792  -2.383  10.446
  410   2HB   ASN  52          1HB       ASN  52 -19.704  -1.757  11.819
  411   1HD2  ASN  52          1HD2      ASN  52 -18.915   0.164  10.037
  412   2HD2  ASN  52          2HD2      ASN  52 -17.598   1.054  10.632
  413    H    PHE  53           HN       PHE  53 -16.203  -3.965  13.835
  414    HA   PHE  53           HA       PHE  53 -13.964  -3.037  12.174
  415   1HB   PHE  53          2HB       PHE  53 -12.678  -3.669  14.031
  416   2HB   PHE  53          1HB       PHE  53 -14.238  -3.355  14.788
  417    HD1  PHE  53           HD1      PHE  53 -15.883  -5.622  14.298
  418    HD2  PHE  53           HD2      PHE  53 -11.643  -5.530  14.995
  419    HE1  PHE  53           HE1      PHE  53 -15.966  -7.957  15.120
  420    HE2  PHE  53           HE2      PHE  53 -11.729  -7.873  15.818
  421    HZ   PHE  53           HZ       PHE  53 -13.893  -9.082  15.878
  422    HA   PRO  54           HA       PRO  54 -13.099  -6.640   9.817
  423   1HB   PRO  54          2HB       PRO  54 -10.663  -7.465  11.122
  424   2HB   PRO  54          1HB       PRO  54 -10.839  -6.592   9.598
  425   1HG   PRO  54          2HG       PRO  54  -9.923  -5.569  12.126
  426   2HG   PRO  54          1HG       PRO  54 -10.083  -4.702  10.599
  427   1HD   PRO  54          2HD       PRO  54 -11.709  -4.428  12.954
  428   2HD   PRO  54          1HD       PRO  54 -11.905  -3.587  11.399
  429    H    GLU  55           HN       GLU  55 -14.979  -7.502  11.152
  430    HA   GLU  55           HA       GLU  55 -15.014  -8.974  13.448
  431   1HB   GLU  55          2HB       GLU  55 -16.875  -8.612  11.845
  432   2HB   GLU  55          1HB       GLU  55 -16.177  -9.841  10.784
  433   1HG   GLU  55          2HG       GLU  55 -16.371 -11.500  12.637
  434   2HG   GLU  55          1HG       GLU  55 -17.157 -10.268  13.625
  435    H    GLU  56           HN       GLU  56 -13.390  -9.918  10.463
  436    HA   GLU  56           HA       GLU  56 -12.924 -12.661  10.923
  437   1HB   GLU  56          2HB       GLU  56 -11.109 -10.480   9.831
  438   2HB   GLU  56          1HB       GLU  56 -10.823 -12.208   9.618
  439   1HG   GLU  56          2HG       GLU  56 -13.048 -12.403   8.508
  440   2HG   GLU  56          1HG       GLU  56 -13.243 -10.656   8.649
  441    H    LEU  57           HN       LEU  57 -11.858  -9.894  12.688
  442    HA   LEU  57           HA       LEU  57  -9.642 -11.303  14.057
  443   1HB   LEU  57          2HB       LEU  57 -10.886  -8.553  14.407
  444   2HB   LEU  57          1HB       LEU  57  -9.376  -9.091  15.139
  445    HG   LEU  57           HG       LEU  57  -9.906  -8.929  12.156
  446   1HD1  LEU  57          3HD1      LEU  57  -9.687  -6.748  13.548
  447   2HD1  LEU  57          2HD1      LEU  57  -7.999  -7.219  13.749
  448   3HD1  LEU  57          1HD1      LEU  57  -8.648  -6.931  12.134
  449   1HD2  LEU  57          3HD2      LEU  57  -8.042 -10.448  13.584
  450   2HD2  LEU  57          2HD2      LEU  57  -7.968 -10.040  11.870
  451   3HD2  LEU  57          1HD2      LEU  57  -7.142  -9.026  13.053
  452    H    LYS  58           HN       LYS  58 -12.859 -11.606  14.276
  453    HA   LYS  58           HA       LYS  58 -13.881 -11.036  16.746
  454   1HB   LYS  58          2HB       LYS  58 -14.344 -12.857  14.675
  455   2HB   LYS  58          1HB       LYS  58 -14.229 -13.863  16.118
  456   1HG   LYS  58          2HG       LYS  58 -15.826 -11.358  16.350
  457   2HG   LYS  58          1HG       LYS  58 -16.523 -12.659  15.386
  458   1HD   LYS  58          2HD       LYS  58 -16.550 -14.156  17.208
  459   2HD   LYS  58          1HD       LYS  58 -15.379 -13.206  18.121
  460   1HE   LYS  58          2HE       LYS  58 -17.095 -11.369  18.295
  461   2HE   LYS  58          1HE       LYS  58 -18.268 -12.463  17.536
  462   1HZ   LYS  58          2HZ       LYS  58 -17.616 -14.123  19.278
  463   2HZ   LYS  58          1HZ       LYS  58 -16.767 -12.881  20.067
  464   3HZ   LYS  58          3HZ       LYS  58 -18.448 -12.768  19.876
  465    HA   PRO  59           HA       PRO  59 -11.573 -14.884  18.689
  466   1HB   PRO  59          2HB       PRO  59  -9.115 -15.082  17.199
  467   2HB   PRO  59          1HB       PRO  59 -10.375 -16.304  17.391
  468   1HG   PRO  59          2HG       PRO  59  -9.773 -14.694  15.063
  469   2HG   PRO  59          1HG       PRO  59 -10.954 -15.996  15.219
  470   1HD   PRO  59          2HD       PRO  59 -11.500 -13.214  14.961
  471   2HD   PRO  59          1HD       PRO  59 -12.676 -14.499  15.318
  472    H    LEU  60           HN       LEU  60  -9.585 -12.363  17.071
  473    HA   LEU  60           HA       LEU  60  -7.681 -11.936  19.106
  474   1HB   LEU  60          2HB       LEU  60  -8.297 -10.907  16.661
  475   2HB   LEU  60          1HB       LEU  60  -8.795  -9.572  17.701
  476    HG   LEU  60           HG       LEU  60  -6.396 -10.266  18.824
  477   1HD1  LEU  60          1HD1      LEU  60  -6.440 -11.145  15.989
  478   2HD1  LEU  60          3HD1      LEU  60  -5.033 -10.204  16.479
  479   3HD1  LEU  60          2HD1      LEU  60  -5.429 -11.699  17.323
  480   1HD2  LEU  60          2HD2      LEU  60  -7.447  -8.031  17.870
  481   2HD2  LEU  60          1HD2      LEU  60  -5.704  -8.168  18.095
  482   3HD2  LEU  60          3HD2      LEU  60  -6.404  -8.380  16.492
  483    H    CYS  61           HN       CYS  61 -10.967 -10.576  18.743
  484    HA   CYS  61           HA       CYS  61 -10.911  -8.729  20.893
  485   1HB   CYS  61          2HB       CYS  61 -13.155 -10.479  19.833
  486   2HB   CYS  61          1HB       CYS  61 -13.374  -9.013  20.789
  487    H    LYS  62           HN       LYS  62 -11.072 -12.223  20.902
  488    HA   LYS  62           HA       LYS  62 -11.621 -12.189  23.851
  489   1HB   LYS  62          2HB       LYS  62 -11.960 -14.340  21.733
  490   2HB   LYS  62          1HB       LYS  62 -12.370 -14.528  23.437
  491   1HG   LYS  62          2HG       LYS  62 -13.923 -12.546  23.187
  492   2HG   LYS  62          1HG       LYS  62 -13.622 -12.611  21.451
  493   1HD   LYS  62          2HD       LYS  62 -14.746 -14.881  23.122
  494   2HD   LYS  62          1HD       LYS  62 -15.684 -13.842  22.051
  495   1HE   LYS  62          2HE       LYS  62 -14.694 -14.745  20.108
  496   2HE   LYS  62          1HE       LYS  62 -13.298 -15.374  21.004
  497   1HZ   LYS  62          1HZ       LYS  62 -16.077 -16.249  21.560
  498   2HZ   LYS  62          3HZ       LYS  62 -15.099 -17.041  20.424
  499   3HZ   LYS  62          2HZ       LYS  62 -14.628 -16.988  22.055
  500    H    GLU  63           HN       GLU  63  -8.989 -11.657  22.689
  501    HA   GLU  63           HA       GLU  63  -7.522 -14.062  23.708
  502   1HB   GLU  63          2HB       GLU  63  -7.611 -12.820  21.087
  503   2HB   GLU  63          1HB       GLU  63  -5.974 -12.766  21.734
  504   1HG   GLU  63          2HG       GLU  63  -6.784 -14.873  20.387
  505   2HG   GLU  63          1HG       GLU  63  -5.790 -15.083  21.830
  506    HA   PRO  64           HA       PRO  64  -5.529 -11.088  26.309
  507   1HB   PRO  64          2HB       PRO  64  -3.149 -12.704  26.401
  508   2HB   PRO  64          1HB       PRO  64  -4.420 -12.573  27.619
  509   1HG   PRO  64          2HG       PRO  64  -3.867 -14.794  25.893
  510   2HG   PRO  64          1HG       PRO  64  -5.159 -14.648  27.086
  511   1HD   PRO  64          2HD       PRO  64  -5.378 -14.581  24.197
  512   2HD   PRO  64          1HD       PRO  64  -6.686 -14.491  25.400
  513    H    ASN  65           HN       ASN  65  -4.058 -12.400  23.394
  514    HA   ASN  65           HA       ASN  65  -1.889 -10.435  23.286
  515   1HB   ASN  65          2HB       ASN  65  -3.060 -12.300  21.195
  516   2HB   ASN  65          1HB       ASN  65  -1.481 -11.518  21.116
  517   1HD2  ASN  65          1HD2      ASN  65  -2.399 -14.492  21.426
  518   2HD2  ASN  65          2HD2      ASN  65  -1.461 -15.053  22.724
  519    H    ALA  66           HN       ALA  66  -5.225 -10.515  22.342
  520    HA   ALA  66           HA       ALA  66  -5.437  -8.907  20.094
  521   1HB   ALA  66          2HB       ALA  66  -7.100  -9.879  22.010
  522   2HB   ALA  66          3HB       ALA  66  -7.614  -8.707  20.797
  523   3HB   ALA  66          1HB       ALA  66  -7.145  -8.162  22.408
  524    H    GLN  67           HN       GLN  67  -4.988  -7.743  23.452
  525    HA   GLN  67           HA       GLN  67  -4.995  -4.966  22.974
  526   1HB   GLN  67          2HB       GLN  67  -4.910  -6.230  25.159
  527   2HB   GLN  67          1HB       GLN  67  -3.192  -6.507  24.866
  528   1HG   GLN  67          2HG       GLN  67  -2.821  -4.064  24.764
  529   2HG   GLN  67          1HG       GLN  67  -4.536  -3.793  25.070
  530   1HE2  GLN  67          1HE2      GLN  67  -2.811  -2.697  26.928
  531   2HE2  GLN  67          2HE2      GLN  67  -2.828  -3.596  28.368
  532    H    GLU  68           HN       GLU  68  -2.253  -7.258  22.758
  533    HA   GLU  68           HA       GLU  68  -0.372  -5.172  21.940
  534   1HB   GLU  68          2HB       GLU  68  -0.291  -8.203  22.009
  535   2HB   GLU  68          1HB       GLU  68   1.105  -7.187  21.655
  536   1HG   GLU  68          2HG       GLU  68   0.834  -6.074  23.854
  537   2HG   GLU  68          1HG       GLU  68  -0.533  -7.131  24.209
  538    H    ILE  69           HN       ILE  69  -2.345  -7.637  20.331
  539    HA   ILE  69           HA       ILE  69  -1.118  -7.532  17.749
  540    HB   ILE  69           HB       ILE  69  -3.954  -8.089  18.671
  541   1HG1  ILE  69          2HG1      ILE  69  -1.711  -9.987  17.919
  542   2HG1  ILE  69          1HG1      ILE  69  -2.115  -9.545  19.579
  543   1HG2  ILE  69          1HG2      ILE  69  -2.835  -7.843  16.015
  544   2HG2  ILE  69          3HG2      ILE  69  -3.361  -9.501  16.303
  545   3HG2  ILE  69          2HG2      ILE  69  -4.502  -8.169  16.488
  546   1HD1  ILE  69          1HD1      ILE  69  -4.566 -10.256  18.754
  547   2HD1  ILE  69          3HD1      ILE  69  -3.622 -11.253  17.647
  548   3HD1  ILE  69          2HD1      ILE  69  -3.422 -11.438  19.389
  549    H    LEU  70           HN       LEU  70  -3.869  -5.700  19.114
  550    HA   LEU  70           HA       LEU  70  -4.771  -4.243  16.951
  551   1HB   LEU  70          2HB       LEU  70  -5.602  -4.079  19.260
  552   2HB   LEU  70          1HB       LEU  70  -4.126  -3.249  19.745
  553    HG   LEU  70           HG       LEU  70  -6.337  -1.901  19.075
  554   1HD1  LEU  70          1HD1      LEU  70  -3.780  -1.239  19.595
  555   2HD1  LEU  70          3HD1      LEU  70  -3.853  -0.755  17.901
  556   3HD1  LEU  70          2HD1      LEU  70  -4.973  -0.053  19.068
  557   1HD2  LEU  70          3HD2      LEU  70  -6.337  -2.992  16.792
  558   2HD2  LEU  70          2HD2      LEU  70  -6.348  -1.229  16.759
  559   3HD2  LEU  70          1HD2      LEU  70  -4.852  -2.108  16.442
  560    H    GLN  71           HN       GLN  71  -2.245  -2.861  19.100
  561    HA   GLN  71           HA       GLN  71  -1.405  -0.759  17.478
  562   1HB   GLN  71          2HB       GLN  71   0.222  -2.642  19.216
  563   2HB   GLN  71          1HB       GLN  71   0.783  -1.065  18.662
  564   1HG   GLN  71          2HG       GLN  71  -1.069   0.035  19.825
  565   2HG   GLN  71          1HG       GLN  71  -1.714  -1.530  20.321
  566   1HE2  GLN  71          1HE2      GLN  71  -0.605   0.756  22.008
  567   2HE2  GLN  71          2HE2      GLN  71   0.611   0.041  22.951
  568    H    ARG  72           HN       ARG  72   0.055  -4.038  17.493
  569    HA   ARG  72           HA       ARG  72   1.869  -3.747  15.382
  570   1HB   ARG  72          2HB       ARG  72   0.086  -6.071  16.178
  571   2HB   ARG  72          1HB       ARG  72   1.485  -6.222  15.115
  572   1HG   ARG  72          2HG       ARG  72   2.904  -5.245  16.937
  573   2HG   ARG  72          1HG       ARG  72   1.494  -5.274  17.997
  574   1HD   ARG  72          2HD       ARG  72   2.713  -7.303  18.453
  575   2HD   ARG  72          1HD       ARG  72   1.335  -7.789  17.445
  576    HE   ARG  72           HE       ARG  72   2.971  -7.520  15.473
  577   1HH1  ARG  72          1HH1      ARG  72   5.063  -6.689  17.697
  578   2HH1  ARG  72          2HH1      ARG  72   6.065  -8.101  17.668
  579   1HH2  ARG  72          1HH2      ARG  72   3.799 -10.000  15.857
  580   2HH2  ARG  72          2HH2      ARG  72   5.350  -9.976  16.627
  581    H    LEU  73           HN       LEU  73  -1.462  -5.055  15.043
  582    HA   LEU  73           HA       LEU  73  -1.659  -5.253  12.285
  583   1HB   LEU  73          2HB       LEU  73  -3.659  -4.198  14.306
  584   2HB   LEU  73          1HB       LEU  73  -4.087  -4.737  12.682
  585    HG   LEU  73           HG       LEU  73  -2.843  -6.398  14.889
  586   1HD1  LEU  73          2HD1      LEU  73  -5.528  -6.288  13.531
  587   2HD1  LEU  73          1HD1      LEU  73  -4.966  -7.781  14.281
  588   3HD1  LEU  73          3HD1      LEU  73  -5.165  -6.326  15.256
  589   1HD2  LEU  73          1HD2      LEU  73  -3.030  -6.795  11.937
  590   2HD2  LEU  73          3HD2      LEU  73  -1.799  -7.356  13.070
  591   3HD2  LEU  73          2HD2      LEU  73  -3.348  -8.193  12.965
  592    H    GLU  74           HN       GLU  74  -2.383  -2.295  14.180
  593    HA   GLU  74           HA       GLU  74  -2.988  -0.533  12.084
  594   1HB   GLU  74          2HB       GLU  74  -1.398  -0.058  14.625
  595   2HB   GLU  74          1HB       GLU  74  -2.202   1.197  13.686
  596   1HG   GLU  74          2HG       GLU  74  -3.552  -1.155  15.047
  597   2HG   GLU  74          1HG       GLU  74  -3.626   0.528  15.566
  598    H    GLU  75           HN       GLU  75   0.262  -0.924  13.582
  599    HA   GLU  75           HA       GLU  75   1.744   0.671  11.822
  600   1HB   GLU  75          2HB       GLU  75   2.482  -0.446  13.939
  601   2HB   GLU  75          1HB       GLU  75   2.544  -1.978  13.068
  602   1HG   GLU  75          2HG       GLU  75   4.182  -0.975  11.482
  603   2HG   GLU  75          1HG       GLU  75   4.161   0.510  12.434
  604    H    ILE  76           HN       ILE  76   1.332  -2.888  11.552
  605    HA   ILE  76           HA       ILE  76   2.590  -3.214   9.041
  606    HB   ILE  76           HB       ILE  76   0.204  -4.665  10.234
  607   1HG1  ILE  76          2HG1      ILE  76   1.959  -4.647  11.860
  608   2HG1  ILE  76          1HG1      ILE  76   2.062  -6.214  11.056
  609   1HG2  ILE  76          1HG2      ILE  76   1.957  -5.130   7.891
  610   2HG2  ILE  76          3HG2      ILE  76   1.694  -6.533   8.926
  611   3HG2  ILE  76          2HG2      ILE  76   0.319  -5.703   8.201
  612   1HD1  ILE  76          2HD1      ILE  76   3.790  -5.215   9.512
  613   2HD1  ILE  76          1HD1      ILE  76   3.773  -3.770  10.523
  614   3HD1  ILE  76          3HD1      ILE  76   4.301  -5.312  11.197
  615    H    ALA  77           HN       ALA  77  -0.761  -2.334   9.825
  616    HA   ALA  77           HA       ALA  77  -1.900  -2.466   7.226
  617   1HB   ALA  77          1HB       ALA  77  -2.384  -1.102   9.815
  618   2HB   ALA  77          2HB       ALA  77  -3.492  -2.051   8.825
  619   3HB   ALA  77          3HB       ALA  77  -3.168  -0.366   8.418
  620    H    GLU  78           HN       GLU  78   0.129  -0.021   8.763
  621    HA   GLU  78           HA       GLU  78  -0.229   2.129   6.937
  622   1HB   GLU  78          2HB       GLU  78   0.919   2.292   9.094
  623   2HB   GLU  78          1HB       GLU  78   2.177   1.191   8.533
  624   1HG   GLU  78          2HG       GLU  78   2.771   2.819   6.748
  625   2HG   GLU  78          1HG       GLU  78   1.557   3.929   7.385
  626    H    ASP  79           HN       ASP  79   2.061  -0.621   6.862
  627    HA   ASP  79           HA       ASP  79   2.328  -0.241   3.922
  628   1HB   ASP  79          2HB       ASP  79   4.265   0.459   5.974
  629   2HB   ASP  79          1HB       ASP  79   4.925  -0.748   4.870
  630    HA   PRO  80           HA       PRO  80   2.279  -4.627   3.798
  631   1HB   PRO  80          2HB       PRO  80   4.397  -4.804   1.861
  632   2HB   PRO  80          1HB       PRO  80   2.657  -4.899   1.581
  633   1HG   PRO  80          2HG       PRO  80   4.440  -2.755   0.894
  634   2HG   PRO  80          1HG       PRO  80   2.700  -2.851   0.614
  635   1HD   PRO  80          2HD       PRO  80   4.101  -1.197   2.524
  636   2HD   PRO  80          1HD       PRO  80   2.348  -1.291   2.240
  637    H    GLY  81           HN       GLY  81   5.616  -3.300   3.629
  638   1HA   GLY  81          1HA       GLY  81   6.401  -4.767   6.014
  639   2HA   GLY  81          2HA       GLY  81   7.470  -3.805   4.993
  640    H    THR  82           HN       THR  82   7.570  -6.685   6.109
  641    HA   THR  82           HA       THR  82   8.733  -7.866   3.680
  642    HB   THR  82           HB       THR  82   9.558  -9.515   5.255
  643    HG1  THR  82          1HG       THR  82   7.458  -8.492   6.807
  644   1HG2  THR  82          1HG2      THR  82  10.395  -7.065   5.324
  645   2HG2  THR  82          3HG2      THR  82   9.504  -6.956   6.842
  646   3HG2  THR  82          2HG2      THR  82  10.819  -8.119   6.672
  647    H    CYS  83           HN       CYS  83   5.723  -7.961   5.352
  648    HA   CYS  83           HA       CYS  83   4.810 -10.598   4.853
  649   1HB   CYS  83          2HB       CYS  83   3.656  -8.942   6.248
  650   2HB   CYS  83          1HB       CYS  83   3.358  -7.930   4.835
  651    H    GLU  84           HN       GLU  84   4.491  -7.681   2.797
  652    HA   GLU  84           HA       GLU  84   3.148  -8.923   0.617
  653   1HB   GLU  84          2HB       GLU  84   3.395  -6.490   1.068
  654   2HB   GLU  84          1HB       GLU  84   5.104  -6.605   0.648
  655   1HG   GLU  84          2HG       GLU  84   4.435  -7.466  -1.608
  656   2HG   GLU  84          1HG       GLU  84   2.749  -7.179  -1.176
  657    H    ILE  85           HN       ILE  85   6.585  -8.866   1.470
  658    HA   ILE  85           HA       ILE  85   7.286 -10.041  -1.174
  659    HB   ILE  85           HB       ILE  85   9.550  -9.516  -0.523
  660   1HG1  ILE  85          2HG1      ILE  85   8.364  -9.124   2.233
  661   2HG1  ILE  85          1HG1      ILE  85   9.567 -10.318   1.753
  662   1HG2  ILE  85          3HG2      ILE  85   7.939  -7.621  -1.110
  663   2HG2  ILE  85          2HG2      ILE  85   7.843  -7.294   0.620
  664   3HG2  ILE  85          1HG2      ILE  85   9.387  -7.149  -0.222
  665   1HD1  ILE  85          3HD1      ILE  85  10.845  -8.081   0.968
  666   2HD1  ILE  85          2HD1      ILE  85   9.884  -7.407   2.285
  667   3HD1  ILE  85          1HD1      ILE  85  11.001  -8.735   2.599
  668    H    CYS  86           HN       CYS  86   6.044 -11.253   1.568
  669    HA   CYS  86           HA       CYS  86   6.025 -13.422   2.503
  670   1HB   CYS  86          2HB       CYS  86   7.766 -14.071   0.109
  671   2HB   CYS  86          1HB       CYS  86   6.699 -15.170   0.982
  672    H    ALA  87           HN       ALA  87   8.494 -11.438   2.714
  673    HA   ALA  87           HA       ALA  87  10.807 -13.085   3.199
  674   1HB   ALA  87          1HB       ALA  87  11.109 -10.841   4.754
  675   2HB   ALA  87          2HB       ALA  87   9.884 -10.308   3.603
  676   3HB   ALA  87          3HB       ALA  87  11.442 -10.899   3.023
  677    H    TYR  88           HN       TYR  88   7.908 -12.544   4.982
  678    HA   TYR  88           HA       TYR  88   9.057 -14.051   7.296
  679   1HB   TYR  88          2HB       TYR  88   7.619 -11.401   7.227
  680   2HB   TYR  88          1HB       TYR  88   7.552 -12.413   8.669
  681    HD1  TYR  88           HD1      TYR  88   9.992 -10.948   6.235
  682    HD2  TYR  88           HD2      TYR  88   9.288 -12.316  10.244
  683    HE1  TYR  88           HE1      TYR  88  12.239 -10.142   6.902
  684    HE2  TYR  88           HE2      TYR  88  11.536 -11.510  10.913
  685    HH   TYR  88           HH       TYR  88  13.274 -10.170  10.270
  686    H    ALA  89           HN       ALA  89   7.240 -14.965   8.671
  687    HA   ALA  89           HA       ALA  89   5.240 -16.243   6.989
  688   1HB   ALA  89          3HB       ALA  89   6.367 -17.305   8.917
  689   2HB   ALA  89          1HB       ALA  89   4.618 -17.294   9.142
  690   3HB   ALA  89          2HB       ALA  89   5.623 -16.126   9.999
  691    H    ALA  90           HN       ALA  90   5.336 -13.157   8.166
  692    HA   ALA  90           HA       ALA  90   2.790 -12.747   9.390
  693   1HB   ALA  90          3HB       ALA  90   5.020 -11.279   8.762
  694   2HB   ALA  90          1HB       ALA  90   3.512 -10.584   9.357
  695   3HB   ALA  90          2HB       ALA  90   3.841 -10.626   7.624
  696    H    CYS  91           HN       CYS  91   3.752 -12.951   5.982
  697    HA   CYS  91           HA       CYS  91   0.955 -12.317   5.147
  698   1HB   CYS  91          2HB       CYS  91   3.550 -11.710   4.210
  699   2HB   CYS  91          1HB       CYS  91   2.845 -12.795   3.014
  700    H    THR  92           HN       THR  92  -0.342 -14.089   4.913
  701    HA   THR  92           HA       THR  92   0.904 -16.698   4.150
  702    HB   THR  92           HB       THR  92  -1.004 -17.665   5.232
  703    HG1  THR  92          1HG       THR  92  -2.853 -16.685   5.233
  704   1HG2  THR  92          3HG2      THR  92   0.569 -15.626   6.517
  705   2HG2  THR  92          2HG2      THR  92  -1.047 -15.652   7.223
  706   3HG2  THR  92          1HG2      THR  92  -0.070 -17.121   7.201
  707    H    GLY  93           HN       GLY  93  -0.213 -17.986   2.498
  708   1HA   GLY  93          1HA       GLY  93  -2.114 -16.499   0.767
  709   2HA   GLY  93          2HA       GLY  93  -1.807 -18.235   0.696
  710    H    CYS  94           HN       CYS  94   0.856 -15.993   0.929
  711    HA   CYS  94           HA       CYS  94   1.452 -15.334  -1.710
  712   1HB   CYS  94          2HB       CYS  94   2.665 -14.878   0.529
  713   2HB   CYS  94          1HB       CYS  94   3.504 -16.401   0.237

  No H/Q in entry =         713
  Start of MODEL    6
    1    H1   VAL   1          3H        VAL   1  -2.152 -14.120   1.308
    2    H2   VAL   1          2H        VAL   1  -2.327 -13.400  -0.221
    3    H3   VAL   1          1H        VAL   1  -0.993 -14.401   0.102
    4    HA   VAL   1           HA       VAL   1   0.100 -12.816   1.339
    5    HB   VAL   1           HB       VAL   1  -1.657 -11.166  -0.497
    6   1HG1  VAL   1          3HG1      VAL   1   1.073 -10.923   0.708
    7   2HG1  VAL   1          2HG1      VAL   1   0.801 -10.239  -0.895
    8   3HG1  VAL   1          1HG1      VAL   1  -0.161  -9.685   0.476
    9   1HG2  VAL   1          2HG2      VAL   1   0.451 -13.225  -1.098
   10   2HG2  VAL   1          1HG2      VAL   1  -1.097 -12.956  -1.899
   11   3HG2  VAL   1          3HG2      VAL   1   0.243 -11.841  -2.171
   12    H    THR   2           HN       THR   2  -1.652 -13.365   3.252
   13    HA   THR   2           HA       THR   2  -2.950 -10.755   3.973
   14    HB   THR   2           HB       THR   2  -3.685 -13.581   4.802
   15    HG1  THR   2          1HG       THR   2  -4.129 -13.374   2.656
   16   1HG2  THR   2          1HG2      THR   2  -4.342 -11.714   6.346
   17   2HG2  THR   2          3HG2      THR   2  -5.251 -10.998   5.014
   18   3HG2  THR   2          2HG2      THR   2  -5.716 -12.576   5.651
   19    H    VAL   3           HN       VAL   3  -2.676 -10.052   6.153
   20    HA   VAL   3           HA       VAL   3  -0.259 -11.061   7.496
   21    HB   VAL   3           HB       VAL   3  -2.258  -8.861   8.115
   22   1HG1  VAL   3          2HG1      VAL   3   0.244  -9.801   9.469
   23   2HG1  VAL   3          1HG1      VAL   3  -0.105  -8.072   9.443
   24   3HG1  VAL   3          3HG1      VAL   3  -1.249  -9.193  10.182
   25   1HG2  VAL   3          3HG2      VAL   3  -0.867  -8.700   5.988
   26   2HG2  VAL   3          2HG2      VAL   3  -0.657  -7.370   7.128
   27   3HG2  VAL   3          1HG2      VAL   3   0.558  -8.646   7.025
   28    H    GLN   4           HN       GLN   4  -0.439 -12.785   8.888
   29    HA   GLN   4           HA       GLN   4  -3.036 -13.154  10.338
   30   1HB   GLN   4          2HB       GLN   4  -2.410 -15.512  10.377
   31   2HB   GLN   4          1HB       GLN   4  -2.256 -14.906   8.728
   32   1HG   GLN   4          2HG       GLN   4   0.144 -14.666   8.979
   33   2HG   GLN   4          1HG       GLN   4   0.047 -15.068  10.693
   34   1HE2  GLN   4          1HE2      GLN   4   1.720 -16.740   9.457
   35   2HE2  GLN   4          2HE2      GLN   4   1.005 -18.232   9.079
   36    H    ASP   5           HN       ASP   5  -2.994 -13.477  12.581
   37    HA   ASP   5           HA       ASP   5  -0.421 -12.785  13.944
   38   1HB   ASP   5          2HB       ASP   5  -3.350 -12.599  14.709
   39   2HB   ASP   5          1HB       ASP   5  -2.036 -12.232  15.826
   40    H    GLY   6           HN       GLY   6  -1.779 -15.499  12.990
   41   1HA   GLY   6          1HA       GLY   6  -2.197 -17.019  15.403
   42   2HA   GLY   6          2HA       GLY   6  -0.553 -17.246  14.804
   43    H    ASN   7           HN       ASN   7  -3.424 -18.729  14.746
   44    HA   ASN   7           HA       ASN   7  -2.800 -20.166  12.253
   45   1HB   ASN   7          2HB       ASN   7  -3.551 -21.115  14.529
   46   2HB   ASN   7          1HB       ASN   7  -5.164 -20.543  14.101
   47   1HD2  ASN   7          1HD2      ASN   7  -5.909 -22.820  13.954
   48   2HD2  ASN   7          2HD2      ASN   7  -5.493 -23.773  12.613
   49    H    PHE   8           HN       PHE   8  -4.307 -17.314  12.770
   50    HA   PHE   8           HA       PHE   8  -6.328 -17.802  10.606
   51   1HB   PHE   8          2HB       PHE   8  -6.419 -15.919  12.987
   52   2HB   PHE   8          1HB       PHE   8  -7.686 -16.087  11.771
   53    HD1  PHE   8           HD1      PHE   8  -9.050 -18.125  11.639
   54    HD2  PHE   8           HD2      PHE   8  -6.017 -17.660  14.645
   55    HE1  PHE   8           HE1      PHE   8  -9.995 -20.047  12.891
   56    HE2  PHE   8           HE2      PHE   8  -6.961 -19.582  15.896
   57    HZ   PHE   8           HZ       PHE   8  -8.950 -20.774  15.019
   58    H    SER   9           HN       SER   9  -6.239 -16.362   8.882
   59    HA   SER   9           HA       SER   9  -4.019 -14.383   8.891
   60   1HB   SER   9          2HB       SER   9  -4.433 -14.441   6.438
   61   2HB   SER   9          1HB       SER   9  -4.188 -16.058   7.095
   62    HG   SER   9           HG       SER   9  -6.239 -16.527   6.791
   63    H    PHE  10           HN       PHE  10  -4.409 -12.176   8.768
   64    HA   PHE  10           HA       PHE  10  -7.271 -11.304   8.528
   65   1HB   PHE  10          2HB       PHE  10  -5.023 -10.265  10.285
   66   2HB   PHE  10          1HB       PHE  10  -6.634  -9.552  10.191
   67    HD1  PHE  10           HD1      PHE  10  -8.332 -11.977   9.992
   68    HD2  PHE  10           HD2      PHE  10  -4.912 -11.171  12.463
   69    HE1  PHE  10           HE1      PHE  10  -9.153 -13.616  11.665
   70    HE2  PHE  10           HE2      PHE  10  -5.732 -12.810  14.134
   71    HZ   PHE  10           HZ       PHE  10  -7.853 -14.032  13.734
   72    H    SER  11           HN       SER  11  -7.628  -9.612   7.098
   73    HA   SER  11           HA       SER  11  -5.565  -8.860   5.223
   74   1HB   SER  11          2HB       SER  11  -8.027  -9.015   4.795
   75   2HB   SER  11          1HB       SER  11  -8.262  -7.600   5.821
   76    HG   SER  11           HG       SER  11  -7.087  -7.809   3.294
   77    H    LEU  12           HN       LEU  12  -4.952  -6.526   4.838
   78    HA   LEU  12           HA       LEU  12  -4.285  -5.219   7.427
   79   1HB   LEU  12          2HB       LEU  12  -3.355  -4.775   4.569
   80   2HB   LEU  12          1HB       LEU  12  -2.665  -4.001   5.995
   81    HG   LEU  12           HG       LEU  12  -2.277  -6.391   6.883
   82   1HD1  LEU  12          2HD1      LEU  12  -3.257  -6.881   4.115
   83   2HD1  LEU  12          1HD1      LEU  12  -1.884  -7.851   4.652
   84   3HD1  LEU  12          3HD1      LEU  12  -3.399  -7.891   5.554
   85   1HD2  LEU  12          2HD2      LEU  12  -0.819  -5.214   4.511
   86   2HD2  LEU  12          1HD2      LEU  12  -0.380  -5.113   6.216
   87   3HD2  LEU  12          3HD2      LEU  12  -0.229  -6.645   5.356
   88    H    GLU  13           HN       GLU  13  -6.491  -4.914   4.817
   89    HA   GLU  13           HA       GLU  13  -6.776  -2.048   4.718
   90   1HB   GLU  13          2HB       GLU  13  -8.663  -4.341   4.095
   91   2HB   GLU  13          1HB       GLU  13  -8.933  -2.668   3.608
   92   1HG   GLU  13          2HG       GLU  13  -6.616  -4.442   2.787
   93   2HG   GLU  13          1HG       GLU  13  -7.916  -3.858   1.749
   94    H    SER  14           HN       SER  14  -9.276  -4.289   5.930
   95    HA   SER  14           HA       SER  14 -10.805  -2.556   7.432
   96   1HB   SER  14          2HB       SER  14  -9.957  -5.271   8.455
   97   2HB   SER  14          1HB       SER  14 -11.535  -4.498   8.601
   98    HG   SER  14           HG       SER  14 -11.926  -4.855   6.489
   99    H    VAL  15           HN       VAL  15  -7.892  -4.253   8.644
  100    HA   VAL  15           HA       VAL  15  -7.890  -3.159  11.260
  101    HB   VAL  15           HB       VAL  15  -5.767  -4.158   9.357
  102   1HG1  VAL  15          2HG1      VAL  15  -4.891  -2.460  11.080
  103   2HG1  VAL  15          1HG1      VAL  15  -5.343  -3.644  12.307
  104   3HG1  VAL  15          3HG1      VAL  15  -4.134  -4.053  11.090
  105   1HG2  VAL  15          1HG2      VAL  15  -7.584  -5.250  11.403
  106   2HG2  VAL  15          3HG2      VAL  15  -6.799  -6.064  10.047
  107   3HG2  VAL  15          2HG2      VAL  15  -5.917  -5.809  11.553
  108    H    LYS  16           HN       LYS  16  -6.334  -1.942   8.270
  109    HA   LYS  16           HA       LYS  16  -5.062   0.342   9.378
  110   1HB   LYS  16          2HB       LYS  16  -4.753  -0.535   7.084
  111   2HB   LYS  16          1HB       LYS  16  -6.407  -0.073   6.684
  112   1HG   LYS  16          2HG       LYS  16  -5.374   1.831   5.931
  113   2HG   LYS  16          1HG       LYS  16  -5.501   2.291   7.628
  114   1HD   LYS  16          2HD       LYS  16  -3.256   2.430   7.723
  115   2HD   LYS  16          1HD       LYS  16  -3.162   0.702   7.390
  116   1HE   LYS  16          2HE       LYS  16  -3.357   2.870   5.264
  117   2HE   LYS  16          1HE       LYS  16  -1.874   2.006   5.710
  118   1HZ   LYS  16          2HZ       LYS  16  -4.051   0.210   5.318
  119   2HZ   LYS  16          1HZ       LYS  16  -3.800   1.152   3.927
  120   3HZ   LYS  16          3HZ       LYS  16  -2.529   0.225   4.561
  121    H    LYS  17           HN       LYS  17  -8.255   0.160   7.754
  122    HA   LYS  17           HA       LYS  17  -9.053   2.795   8.756
  123   1HB   LYS  17          2HB       LYS  17 -10.507   0.561   7.301
  124   2HB   LYS  17          1HB       LYS  17 -11.152   2.184   7.548
  125   1HG   LYS  17          2HG       LYS  17  -9.195   3.118   6.329
  126   2HG   LYS  17          1HG       LYS  17  -8.623   1.477   6.028
  127   1HD   LYS  17          2HD       LYS  17 -10.788   0.990   4.870
  128   2HD   LYS  17          1HD       LYS  17 -11.239   2.682   5.077
  129   1HE   LYS  17          2HE       LYS  17 -10.185   3.048   3.089
  130   2HE   LYS  17          1HE       LYS  17  -8.668   2.796   3.973
  131   1HZ   LYS  17          2HZ       LYS  17  -9.106   0.347   3.670
  132   2HZ   LYS  17          1HZ       LYS  17 -10.315   0.773   2.555
  133   3HZ   LYS  17          3HZ       LYS  17  -8.699   1.189   2.252
  134    H    LEU  18           HN       LEU  18  -8.615   0.092  10.445
  135    HA   LEU  18           HA       LEU  18 -11.104  -0.553  11.677
  136   1HB   LEU  18          2HB       LEU  18  -8.757  -1.660  11.698
  137   2HB   LEU  18          1HB       LEU  18  -8.397  -0.551  13.020
  138    HG   LEU  18           HG       LEU  18 -10.640  -2.591  12.943
  139   1HD1  LEU  18          2HD1      LEU  18  -7.886  -2.560  13.963
  140   2HD1  LEU  18          1HD1      LEU  18  -9.076  -3.010  15.185
  141   3HD1  LEU  18          3HD1      LEU  18  -8.964  -3.928  13.684
  142   1HD2  LEU  18          2HD2      LEU  18  -9.995  -0.314  14.790
  143   2HD2  LEU  18          1HD2      LEU  18 -11.566  -0.868  14.209
  144   3HD2  LEU  18          3HD2      LEU  18 -10.713  -1.784  15.450
  145    H    LYS  19           HN       LYS  19  -8.609   1.866  12.517
  146    HA   LYS  19           HA       LYS  19  -9.972   2.784  14.914
  147   1HB   LYS  19          2HB       LYS  19  -7.524   2.952  14.435
  148   2HB   LYS  19          1HB       LYS  19  -7.882   4.112  13.156
  149   1HG   LYS  19          2HG       LYS  19  -8.963   5.595  14.834
  150   2HG   LYS  19          1HG       LYS  19  -8.529   4.447  16.102
  151   1HD   LYS  19          2HD       LYS  19  -6.123   4.724  15.453
  152   2HD   LYS  19          1HD       LYS  19  -6.615   5.974  14.311
  153   1HE   LYS  19          2HE       LYS  19  -5.876   6.967  16.472
  154   2HE   LYS  19          1HE       LYS  19  -7.599   7.282  16.189
  155   1HZ   LYS  19          2HZ       LYS  19  -6.974   4.743  17.453
  156   2HZ   LYS  19          1HZ       LYS  19  -6.648   6.111  18.405
  157   3HZ   LYS  19          3HZ       LYS  19  -8.212   5.851  17.805
  158    H    ASP  20           HN       ASP  20  -9.327   4.538  11.852
  159    HA   ASP  20           HA       ASP  20 -11.219   6.611  12.266
  160   1HB   ASP  20          2HB       ASP  20 -10.105   5.306   9.764
  161   2HB   ASP  20          1HB       ASP  20 -10.996   6.828   9.757
  162    H    LEU  21           HN       LEU  21 -11.589   3.413  10.756
  163    HA   LEU  21           HA       LEU  21 -13.531   2.248  10.078
  164   1HB   LEU  21          2HB       LEU  21 -13.783   2.698  12.582
  165   2HB   LEU  21          1HB       LEU  21 -14.842   4.036  12.139
  166    HG   LEU  21           HG       LEU  21 -16.173   2.344  10.761
  167   1HD1  LEU  21          1HD1      LEU  21 -14.001   0.693  11.604
  168   2HD1  LEU  21          3HD1      LEU  21 -15.472   0.070  12.353
  169   3HD1  LEU  21          2HD1      LEU  21 -15.381   0.245  10.600
  170   1HD2  LEU  21          3HD2      LEU  21 -15.975   2.148  13.776
  171   2HD2  LEU  21          2HD2      LEU  21 -17.098   3.125  12.831
  172   3HD2  LEU  21          1HD2      LEU  21 -17.257   1.369  12.848
  173    H    GLN  22           HN       GLN  22 -12.884   4.884   8.751
  174    HA   GLN  22           HA       GLN  22 -15.580   5.960   8.117
  175   1HB   GLN  22          2HB       GLN  22 -12.790   6.763   7.229
  176   2HB   GLN  22          1HB       GLN  22 -14.260   7.707   6.994
  177   1HG   GLN  22          2HG       GLN  22 -13.039   6.933   9.661
  178   2HG   GLN  22          1HG       GLN  22 -13.044   8.547   8.948
  179   1HE2  GLN  22          1HE2      GLN  22 -14.569   6.891  11.318
  180   2HE2  GLN  22          2HE2      GLN  22 -16.120   7.577  11.229
  181    H    GLU  23           HN       GLU  23 -16.446   5.853   5.991
  182    HA   GLU  23           HA       GLU  23 -16.876   4.765   3.931
  183   1HB   GLU  23          2HB       GLU  23 -14.771   6.315   3.694
  184   2HB   GLU  23          1HB       GLU  23 -13.883   4.795   3.593
  185   1HG   GLU  23          2HG       GLU  23 -16.105   4.464   1.901
  186   2HG   GLU  23          1HG       GLU  23 -15.515   6.094   1.577
  187    HA   PRO  24           HA       PRO  24 -15.570   0.695   5.832
  188   1HB   PRO  24          2HB       PRO  24 -18.271  -0.150   5.318
  189   2HB   PRO  24          1HB       PRO  24 -17.493   0.118   6.880
  190   1HG   PRO  24          2HG       PRO  24 -19.509   1.725   5.621
  191   2HG   PRO  24          1HG       PRO  24 -18.715   2.004   7.173
  192   1HD   PRO  24          2HD       PRO  24 -18.354   3.459   4.698
  193   2HD   PRO  24          1HD       PRO  24 -17.579   3.764   6.270
  194    H    GLN  25           HN       GLN  25 -14.624   1.170   3.405
  195    HA   GLN  25           HA       GLN  25 -15.667  -1.068   1.735
  196   1HB   GLN  25          2HB       GLN  25 -16.723   1.100   1.054
  197   2HB   GLN  25          1HB       GLN  25 -15.112   1.749   0.747
  198   1HG   GLN  25          2HG       GLN  25 -14.716  -0.046  -0.913
  199   2HG   GLN  25          1HG       GLN  25 -16.340  -0.666  -0.619
  200   1HE2  GLN  25          1HE2      GLN  25 -14.506   1.705  -2.369
  201   2HE2  GLN  25          2HE2      GLN  25 -15.823   2.508  -3.079
  202    H    GLU  26           HN       GLU  26 -14.040  -1.538  -0.080
  203    HA   GLU  26           HA       GLU  26 -11.253  -0.867   0.818
  204   1HB   GLU  26          2HB       GLU  26 -12.597  -3.425  -0.033
  205   2HB   GLU  26          1HB       GLU  26 -10.851  -3.244  -0.208
  206   1HG   GLU  26          2HG       GLU  26 -10.623  -3.762   1.971
  207   2HG   GLU  26          1HG       GLU  26 -11.500  -2.287   2.378
  208    HA   PRO  27           HA       PRO  27 -12.080   0.430  -3.631
  209   1HB   PRO  27          2HB       PRO  27 -10.547   2.779  -2.998
  210   2HB   PRO  27          1HB       PRO  27 -12.266   2.676  -3.385
  211   1HG   PRO  27          2HG       PRO  27 -11.055   3.206  -0.830
  212   2HG   PRO  27          1HG       PRO  27 -12.775   3.117  -1.221
  213   1HD   PRO  27          2HD       PRO  27 -11.208   1.222   0.285
  214   2HD   PRO  27          1HD       PRO  27 -12.936   1.122  -0.130
  215    H    ARG  28           HN       ARG  28 -10.480   0.203  -5.257
  216    HA   ARG  28           HA       ARG  28  -7.708  -0.377  -4.267
  217   1HB   ARG  28          2HB       ARG  28  -9.324  -1.410  -6.619
  218   2HB   ARG  28          1HB       ARG  28  -7.637  -1.830  -6.322
  219   1HG   ARG  28          2HG       ARG  28  -8.290  -2.708  -4.080
  220   2HG   ARG  28          1HG       ARG  28  -9.976  -2.373  -4.470
  221   1HD   ARG  28          2HD       ARG  28  -8.151  -4.238  -6.031
  222   2HD   ARG  28          1HD       ARG  28  -9.458  -4.739  -4.943
  223    HE   ARG  28           HE       ARG  28 -11.061  -3.769  -6.501
  224   1HH1  ARG  28          1HH1      ARG  28  -8.710  -5.221  -8.100
  225   2HH1  ARG  28          2HH1      ARG  28  -8.648  -4.172  -9.477
  226   1HH2  ARG  28          1HH2      ARG  28 -10.583  -1.697  -8.010
  227   2HH2  ARG  28          2HH2      ARG  28  -9.709  -2.177  -9.426
  228    H    VAL  29           HN       VAL  29  -6.786   1.699  -4.567
  229    HA   VAL  29           HA       VAL  29  -6.766   2.701  -7.398
  230    HB   VAL  29           HB       VAL  29  -6.686   4.244  -4.783
  231   1HG1  VAL  29          1HG1      VAL  29  -6.265   4.959  -7.627
  232   2HG1  VAL  29          3HG1      VAL  29  -7.340   6.030  -6.729
  233   3HG1  VAL  29          2HG1      VAL  29  -5.690   5.764  -6.167
  234   1HG2  VAL  29          1HG2      VAL  29  -8.873   3.039  -5.681
  235   2HG2  VAL  29          3HG2      VAL  29  -8.952   4.681  -5.043
  236   3HG2  VAL  29          2HG2      VAL  29  -8.908   4.413  -6.787
  237    H    GLY  30           HN       GLY  30  -4.725   2.434  -8.216
  238   1HA   GLY  30          1HA       GLY  30  -2.402   3.480  -6.864
  239   2HA   GLY  30          2HA       GLY  30  -2.382   2.541  -8.357
  240    H    LYS  31           HN       LYS  31  -4.107   0.588  -6.491
  241    HA   LYS  31           HA       LYS  31  -3.624  -1.325  -5.184
  242   1HB   LYS  31          2HB       LYS  31  -1.068  -0.980  -6.786
  243   2HB   LYS  31          1HB       LYS  31  -1.561  -2.468  -5.978
  244   1HG   LYS  31          2HG       LYS  31  -3.641  -2.484  -7.352
  245   2HG   LYS  31          1HG       LYS  31  -3.061  -1.052  -8.204
  246   1HD   LYS  31          2HD       LYS  31  -1.023  -2.332  -8.878
  247   2HD   LYS  31          1HD       LYS  31  -1.711  -3.767  -8.118
  248   1HE   LYS  31          2HE       LYS  31  -2.796  -4.188 -10.066
  249   2HE   LYS  31          1HE       LYS  31  -3.739  -2.708  -9.803
  250   1HZ   LYS  31          3HZ       LYS  31  -1.784  -1.467 -10.699
  251   2HZ   LYS  31          2HZ       LYS  31  -1.095  -2.955 -11.143
  252   3HZ   LYS  31          1HZ       LYS  31  -2.557  -2.448 -11.846
  253    H    LEU  32           HN       LEU  32  -3.141   1.142  -3.818
  254    HA   LEU  32           HA       LEU  32  -0.638   0.528  -2.281
  255   1HB   LEU  32          2HB       LEU  32  -0.757   2.690  -3.532
  256   2HB   LEU  32          1HB       LEU  32  -2.184   3.124  -2.592
  257    HG   LEU  32           HG       LEU  32  -0.758   2.769  -0.506
  258   1HD1  LEU  32          3HD1      LEU  32   1.162   2.132  -2.636
  259   2HD1  LEU  32          2HD1      LEU  32   1.774   3.305  -1.470
  260   3HD1  LEU  32          1HD1      LEU  32   1.213   1.726  -0.921
  261   1HD2  LEU  32          2HD2      LEU  32  -1.120   4.980  -2.122
  262   2HD2  LEU  32          1HD2      LEU  32  -0.405   5.009  -0.510
  263   3HD2  LEU  32          3HD2      LEU  32   0.633   4.927  -1.933
  264    H    ARG  33           HN       ARG  33  -1.008  -0.237  -0.241
  265    HA   ARG  33           HA       ARG  33  -3.667   0.335   1.024
  266   1HB   ARG  33          2HB       ARG  33  -1.699  -1.955   1.366
  267   2HB   ARG  33          1HB       ARG  33  -3.236  -1.809   2.220
  268   1HG   ARG  33          2HG       ARG  33  -4.422  -1.795   0.035
  269   2HG   ARG  33          1HG       ARG  33  -2.877  -2.009  -0.787
  270   1HD   ARG  33          2HD       ARG  33  -2.542  -4.143   0.487
  271   2HD   ARG  33          1HD       ARG  33  -4.165  -3.942   1.175
  272    HE   ARG  33           HE       ARG  33  -5.087  -4.160  -1.084
  273   1HH1  ARG  33          1HH1      ARG  33  -3.428  -6.620  -0.930
  274   2HH1  ARG  33          2HH1      ARG  33  -2.491  -6.535  -2.385
  275   1HH2  ARG  33          1HH2      ARG  33  -3.125  -3.166  -2.911
  276   2HH2  ARG  33          2HH2      ARG  33  -2.319  -4.579  -3.506
  277    H    ASN  34           HN       ASN  34  -1.926   2.373   1.384
  278    HA   ASN  34           HA       ASN  34  -0.888   1.945   4.166
  279   1HB   ASN  34          2HB       ASN  34   0.320   3.487   1.847
  280   2HB   ASN  34          1HB       ASN  34   0.969   3.483   3.487
  281   1HD2  ASN  34          1HD2      ASN  34   2.688   2.520   1.572
  282   2HD2  ASN  34          2HD2      ASN  34   2.795   0.828   1.644
  283    H    PHE  35           HN       PHE  35  -1.180   3.731   5.575
  284    HA   PHE  35           HA       PHE  35  -2.096   6.331   4.707
  285   1HB   PHE  35          2HB       PHE  35  -4.048   4.816   4.187
  286   2HB   PHE  35          1HB       PHE  35  -4.166   4.469   5.911
  287    HD1  PHE  35           HD1      PHE  35  -4.222   7.248   3.418
  288    HD2  PHE  35           HD2      PHE  35  -5.273   5.959   7.380
  289    HE1  PHE  35           HE1      PHE  35  -5.530   9.328   3.748
  290    HE2  PHE  35           HE2      PHE  35  -6.582   8.040   7.708
  291    HZ   PHE  35           HZ       PHE  35  -6.712   9.725   5.893
  292    H    ALA  36           HN       ALA  36  -3.149   4.307   7.442
  293    HA   ALA  36           HA       ALA  36  -2.700   6.234   9.467
  294   1HB   ALA  36          1HB       ALA  36  -3.863   3.856   9.357
  295   2HB   ALA  36          3HB       ALA  36  -2.297   3.298   9.945
  296   3HB   ALA  36          2HB       ALA  36  -3.230   4.460  10.888
  297    HA   PRO  37           HA       PRO  37   1.794   6.271   9.127
  298   1HB   PRO  37          2HB       PRO  37   1.810   8.033  11.396
  299   2HB   PRO  37          1HB       PRO  37   2.081   8.439   9.701
  300   1HG   PRO  37          2HG       PRO  37  -0.217   9.047  11.317
  301   2HG   PRO  37          1HG       PRO  37   0.061   9.463   9.623
  302   1HD   PRO  37          2HD       PRO  37  -1.771   7.502  10.685
  303   2HD   PRO  37          1HD       PRO  37  -1.482   7.912   8.978
  304    H    ILE  38           HN       ILE  38  -0.155   5.680  11.992
  305    HA   ILE  38           HA       ILE  38   1.652   3.557  12.875
  306    HB   ILE  38           HB       ILE  38   1.467   5.240  15.159
  307   1HG1  ILE  38          2HG1      ILE  38   2.564   7.288  14.438
  308   2HG1  ILE  38          1HG1      ILE  38   2.593   6.733  12.769
  309   1HG2  ILE  38          1HG2      ILE  38   3.263   3.571  14.187
  310   2HG2  ILE  38          3HG2      ILE  38   3.948   5.038  13.489
  311   3HG2  ILE  38          2HG2      ILE  38   3.763   4.897  15.237
  312   1HD1  ILE  38          3HD1      ILE  38  -0.095   6.646  13.923
  313   2HD1  ILE  38          2HD1      ILE  38   0.591   8.271  13.943
  314   3HD1  ILE  38          1HD1      ILE  38   0.454   7.389  12.419
  315    HA   PRO  39           HA       PRO  39  -1.893   1.985  14.915
  316   1HB   PRO  39          2HB       PRO  39  -0.705   1.670  17.516
  317   2HB   PRO  39          1HB       PRO  39  -0.938   0.441  16.271
  318   1HG   PRO  39          2HG       PRO  39   1.525   1.649  17.112
  319   2HG   PRO  39          1HG       PRO  39   1.290   0.433  15.855
  320   1HD   PRO  39          2HD       PRO  39   1.950   3.229  15.525
  321   2HD   PRO  39          1HD       PRO  39   1.742   1.997  14.260
  322    H    GLY  40           HN       GLY  40  -3.640   2.698  16.235
  323   1HA   GLY  40          1HA       GLY  40  -4.868   4.600  17.032
  324   2HA   GLY  40          2HA       GLY  40  -3.343   5.439  17.305
  325    H    GLU  41           HN       GLU  41  -5.292   2.727  18.524
  326    HA   GLU  41           HA       GLU  41  -3.818   2.554  21.035
  327   1HB   GLU  41          2HB       GLU  41  -6.112   4.387  20.650
  328   2HB   GLU  41          1HB       GLU  41  -6.187   3.394  22.105
  329   1HG   GLU  41          2HG       GLU  41  -3.532   4.259  22.000
  330   2HG   GLU  41          1HG       GLU  41  -4.469   5.672  21.515
  331    HA   PRO  42           HA       PRO  42  -5.846  -1.366  20.930
  332   1HB   PRO  42          2HB       PRO  42  -5.707  -1.604  23.794
  333   2HB   PRO  42          1HB       PRO  42  -4.651  -2.344  22.588
  334   1HG   PRO  42          2HG       PRO  42  -4.027  -0.205  24.393
  335   2HG   PRO  42          1HG       PRO  42  -2.982  -0.926  23.168
  336   1HD   PRO  42          2HD       PRO  42  -4.240   1.682  23.126
  337   2HD   PRO  42          1HD       PRO  42  -3.149   0.971  21.914
  338    H    VAL  43           HN       VAL  43  -8.008  -1.984  21.075
  339    HA   VAL  43           HA       VAL  43  -9.763  -0.620  23.069
  340    HB   VAL  43           HB       VAL  43 -11.366  -0.211  21.158
  341   1HG1  VAL  43          2HG1      VAL  43  -9.494   1.401  22.091
  342   2HG1  VAL  43          1HG1      VAL  43  -8.788   1.159  20.493
  343   3HG1  VAL  43          3HG1      VAL  43 -10.408   1.839  20.648
  344   1HG2  VAL  43          1HG2      VAL  43 -10.412  -1.900  19.622
  345   2HG2  VAL  43          3HG2      VAL  43 -10.454  -0.304  18.874
  346   3HG2  VAL  43          2HG2      VAL  43  -8.935  -0.944  19.501
  347    H    VAL  44           HN       VAL  44 -11.060  -2.162  24.026
  348    HA   VAL  44           HA       VAL  44 -12.127  -4.397  22.420
  349    HB   VAL  44           HB       VAL  44 -10.158  -4.735  24.700
  350   1HG1  VAL  44          3HG1      VAL  44 -12.236  -6.530  23.575
  351   2HG1  VAL  44          2HG1      VAL  44 -10.637  -7.247  23.783
  352   3HG1  VAL  44          1HG1      VAL  44 -11.476  -6.546  25.167
  353   1HG2  VAL  44          2HG2      VAL  44 -10.134  -5.279  21.736
  354   2HG2  VAL  44          1HG2      VAL  44  -8.931  -4.433  22.712
  355   3HG2  VAL  44          3HG2      VAL  44  -9.086  -6.186  22.826
  356    HA   PRO  45           HA       PRO  45 -14.779  -2.756  25.937
  357   1HB   PRO  45          2HB       PRO  45 -16.941  -2.865  24.036
  358   2HB   PRO  45          1HB       PRO  45 -16.219  -1.436  24.777
  359   1HG   PRO  45          2HG       PRO  45 -15.971  -2.338  22.058
  360   2HG   PRO  45          1HG       PRO  45 -15.255  -0.903  22.795
  361   1HD   PRO  45          2HD       PRO  45 -13.917  -3.326  21.979
  362   2HD   PRO  45          1HD       PRO  45 -13.198  -1.883  22.734
  363    H    ILE  46           HN       ILE  46 -17.522  -3.924  25.309
  364    HA   ILE  46           HA       ILE  46 -17.358  -6.418  26.590
  365    HB   ILE  46           HB       ILE  46 -19.261  -5.627  24.355
  366   1HG1  ILE  46          2HG1      ILE  46 -19.257  -3.780  25.859
  367   2HG1  ILE  46          1HG1      ILE  46 -20.641  -4.760  26.340
  368   1HG2  ILE  46          3HG2      ILE  46 -19.076  -7.940  25.945
  369   2HG2  ILE  46          2HG2      ILE  46 -20.388  -6.996  26.648
  370   3HG2  ILE  46          1HG2      ILE  46 -20.445  -7.452  24.946
  371   1HD1  ILE  46          1HD1      ILE  46 -19.063  -5.904  28.005
  372   2HD1  ILE  46          3HD1      ILE  46 -17.928  -4.596  27.666
  373   3HD1  ILE  46          2HD1      ILE  46 -19.505  -4.236  28.369
  374    H    LEU  47           HN       LEU  47 -16.872  -5.555  23.224
  375    HA   LEU  47           HA       LEU  47 -15.696  -8.243  22.697
  376   1HB   LEU  47          2HB       LEU  47 -17.941  -6.827  21.238
  377   2HB   LEU  47          1HB       LEU  47 -16.967  -8.066  20.445
  378    HG   LEU  47           HG       LEU  47 -17.521  -9.514  22.539
  379   1HD1  LEU  47          1HD1      LEU  47 -18.935  -7.094  23.129
  380   2HD1  LEU  47          3HD1      LEU  47 -20.118  -8.377  22.874
  381   3HD1  LEU  47          2HD1      LEU  47 -18.853  -8.572  24.088
  382   1HD2  LEU  47          2HD2      LEU  47 -18.386  -9.901  20.235
  383   2HD2  LEU  47          1HD2      LEU  47 -19.579 -10.306  21.467
  384   3HD2  LEU  47          3HD2      LEU  47 -19.716  -8.794  20.570
  385    H    CYS  48           HN       CYS  48 -16.540  -5.487  20.611
  386    HA   CYS  48           HA       CYS  48 -13.646  -4.789  20.360
  387   1HB   CYS  48          2HB       CYS  48 -15.601  -5.247  18.079
  388   2HB   CYS  48          1HB       CYS  48 -13.894  -4.833  17.919
  389    H    SER  49           HN       SER  49 -13.348  -2.560  20.218
  390    HA   SER  49           HA       SER  49 -15.514  -0.783  20.821
  391   1HB   SER  49          2HB       SER  49 -13.778   0.938  20.467
  392   2HB   SER  49          1HB       SER  49 -13.136  -0.425  21.384
  393    HG   SER  49           HG       SER  49 -12.476  -1.247  19.238
  394    H    ASN  50           HN       ASN  50 -13.804  -1.480  17.773
  395    HA   ASN  50           HA       ASN  50 -15.408   0.431  16.243
  396   1HB   ASN  50          2HB       ASN  50 -13.270  -1.617  15.758
  397   2HB   ASN  50          1HB       ASN  50 -14.172  -0.990  14.378
  398   1HD2  ASN  50          1HD2      ASN  50 -14.314   1.541  14.355
  399   2HD2  ASN  50          2HD2      ASN  50 -12.915   2.380  14.827
  400    HA   PRO  51           HA       PRO  51 -18.786  -2.573  16.090
  401   1HB   PRO  51          2HB       PRO  51 -20.146  -0.706  14.376
  402   2HB   PRO  51          1HB       PRO  51 -20.473  -1.063  16.073
  403   1HG   PRO  51          2HG       PRO  51 -19.281   1.306  14.960
  404   2HG   PRO  51          1HG       PRO  51 -19.629   0.957  16.655
  405   1HD   PRO  51          2HD       PRO  51 -17.052   1.058  15.370
  406   2HD   PRO  51          1HD       PRO  51 -17.408   0.673  17.069
  407    H    ASN  52           HN       ASN  52 -16.936  -1.121  13.531
  408    HA   ASN  52           HA       ASN  52 -17.871  -3.282  11.670
  409   1HB   ASN  52          2HB       ASN  52 -17.117  -0.395  11.151
  410   2HB   ASN  52          1HB       ASN  52 -17.433  -1.569   9.877
  411   1HD2  ASN  52          1HD2      ASN  52 -19.607  -2.942  11.269
  412   2HD2  ASN  52          2HD2      ASN  52 -20.930  -1.880  11.306
  413    H    PHE  53           HN       PHE  53 -15.570  -3.415  13.506
  414    HA   PHE  53           HA       PHE  53 -13.166  -2.923  11.892
  415   1HB   PHE  53          2HB       PHE  53 -12.044  -3.519  13.861
  416   2HB   PHE  53          1HB       PHE  53 -13.583  -2.955  14.508
  417    HD1  PHE  53           HD1      PHE  53 -15.480  -5.006  14.243
  418    HD2  PHE  53           HD2      PHE  53 -11.261  -5.431  14.940
  419    HE1  PHE  53           HE1      PHE  53 -15.872  -7.228  15.267
  420    HE2  PHE  53           HE2      PHE  53 -11.656  -7.661  15.967
  421    HZ   PHE  53           HZ       PHE  53 -13.963  -8.554  16.127
  422    HA   PRO  54           HA       PRO  54 -12.739  -6.784   9.850
  423   1HB   PRO  54          2HB       PRO  54 -10.379  -7.727  11.207
  424   2HB   PRO  54          1HB       PRO  54 -10.487  -6.972   9.615
  425   1HG   PRO  54          2HG       PRO  54  -9.455  -5.836  12.056
  426   2HG   PRO  54          1HG       PRO  54  -9.516  -5.101  10.452
  427   1HD   PRO  54          2HD       PRO  54 -11.098  -4.416  12.748
  428   2HD   PRO  54          1HD       PRO  54 -11.226  -3.736  11.109
  429    H    GLU  55           HN       GLU  55 -14.680  -7.343  11.267
  430    HA   GLU  55           HA       GLU  55 -14.814  -8.579  13.696
  431   1HB   GLU  55          2HB       GLU  55 -16.663  -8.190  12.094
  432   2HB   GLU  55          1HB       GLU  55 -16.094  -9.555  11.126
  433   1HG   GLU  55          2HG       GLU  55 -16.396 -11.038  13.115
  434   2HG   GLU  55          1HG       GLU  55 -17.072  -9.668  13.996
  435    H    GLU  56           HN       GLU  56 -13.314  -9.939  10.809
  436    HA   GLU  56           HA       GLU  56 -13.118 -12.665  11.517
  437   1HB   GLU  56          2HB       GLU  56 -11.119 -10.778  10.216
  438   2HB   GLU  56          1HB       GLU  56 -10.997 -12.537  10.169
  439   1HG   GLU  56          2HG       GLU  56 -13.249 -12.624   9.092
  440   2HG   GLU  56          1HG       GLU  56 -13.268 -10.861   9.055
  441    H    LEU  57           HN       LEU  57 -11.821  -9.879  13.046
  442    HA   LEU  57           HA       LEU  57  -9.691 -11.331  14.502
  443   1HB   LEU  57          2HB       LEU  57 -10.739  -8.483  14.662
  444   2HB   LEU  57          1HB       LEU  57  -9.255  -9.072  15.408
  445    HG   LEU  57           HG       LEU  57  -9.867  -8.972  12.440
  446   1HD1  LEU  57          1HD1      LEU  57  -9.208  -6.840  13.720
  447   2HD1  LEU  57          3HD1      LEU  57  -7.637  -7.605  13.955
  448   3HD1  LEU  57          2HD1      LEU  57  -8.217  -7.263  12.324
  449   1HD2  LEU  57          2HD2      LEU  57  -7.651 -10.240  14.032
  450   2HD2  LEU  57          1HD2      LEU  57  -8.558 -10.905  12.674
  451   3HD2  LEU  57          3HD2      LEU  57  -7.349  -9.652  12.398
  452    H    LYS  58           HN       LYS  58 -12.916 -11.398  14.752
  453    HA   LYS  58           HA       LYS  58 -13.879 -10.610  17.187
  454   1HB   LYS  58          2HB       LYS  58 -14.204 -12.924  15.390
  455   2HB   LYS  58          1HB       LYS  58 -14.748 -13.218  17.041
  456   1HG   LYS  58          2HG       LYS  58 -16.170 -11.224  16.957
  457   2HG   LYS  58          1HG       LYS  58 -15.578 -10.846  15.340
  458   1HD   LYS  58          2HD       LYS  58 -16.916 -12.402  14.359
  459   2HD   LYS  58          1HD       LYS  58 -16.629 -13.586  15.634
  460   1HE   LYS  58          2HE       LYS  58 -18.311 -12.638  17.036
  461   2HE   LYS  58          1HE       LYS  58 -18.382 -11.151  16.072
  462   1HZ   LYS  58          3HZ       LYS  58 -19.024 -13.871  15.049
  463   2HZ   LYS  58          2HZ       LYS  58 -20.187 -12.727  15.524
  464   3HZ   LYS  58          1HZ       LYS  58 -19.175 -12.413  14.195
  465    HA   PRO  59           HA       PRO  59 -11.790 -14.492  19.321
  466   1HB   PRO  59          2HB       PRO  59  -9.351 -14.882  17.836
  467   2HB   PRO  59          1HB       PRO  59 -10.668 -16.030  18.091
  468   1HG   PRO  59          2HG       PRO  59 -10.003 -14.556  15.687
  469   2HG   PRO  59          1HG       PRO  59 -11.236 -15.801  15.906
  470   1HD   PRO  59          2HD       PRO  59 -11.672 -13.020  15.514
  471   2HD   PRO  59          1HD       PRO  59 -12.898 -14.228  15.957
  472    H    LEU  60           HN       LEU  60  -9.703 -12.125  17.591
  473    HA   LEU  60           HA       LEU  60  -7.788 -11.727  19.638
  474   1HB   LEU  60          2HB       LEU  60  -8.945 -10.121  17.379
  475   2HB   LEU  60          1HB       LEU  60  -7.813  -9.349  18.487
  476    HG   LEU  60           HG       LEU  60  -6.289 -11.383  18.074
  477   1HD1  LEU  60          1HD1      LEU  60  -8.196 -11.649  15.727
  478   2HD1  LEU  60          3HD1      LEU  60  -6.680 -12.530  15.913
  479   3HD1  LEU  60          2HD1      LEU  60  -8.008 -12.813  17.038
  480   1HD2  LEU  60          2HD2      LEU  60  -6.920  -9.476  15.800
  481   2HD2  LEU  60          1HD2      LEU  60  -5.837  -9.148  17.151
  482   3HD2  LEU  60          3HD2      LEU  60  -5.424 -10.393  15.972
  483    H    CYS  61           HN       CYS  61 -10.991 -10.228  19.149
  484    HA   CYS  61           HA       CYS  61 -10.789  -8.312  21.278
  485   1HB   CYS  61          2HB       CYS  61 -12.961  -9.648  19.686
  486   2HB   CYS  61          1HB       CYS  61 -13.395  -8.612  21.045
  487    H    LYS  62           HN       LYS  62 -11.641 -11.734  21.202
  488    HA   LYS  62           HA       LYS  62 -12.658 -11.684  23.972
  489   1HB   LYS  62          2HB       LYS  62 -12.209 -13.868  21.915
  490   2HB   LYS  62          1HB       LYS  62 -13.000 -14.115  23.472
  491   1HG   LYS  62          2HG       LYS  62 -14.684 -12.383  22.853
  492   2HG   LYS  62          1HG       LYS  62 -13.923 -12.246  21.268
  493   1HD   LYS  62          2HD       LYS  62 -15.699 -13.767  20.915
  494   2HD   LYS  62          1HD       LYS  62 -14.284 -14.803  21.094
  495   1HE   LYS  62          2HE       LYS  62 -14.925 -14.828  23.635
  496   2HE   LYS  62          1HE       LYS  62 -16.518 -14.304  23.056
  497   1HZ   LYS  62          1HZ       LYS  62 -15.026 -16.586  21.877
  498   2HZ   LYS  62          3HZ       LYS  62 -16.164 -16.782  23.120
  499   3HZ   LYS  62          2HZ       LYS  62 -16.650 -16.162  21.614
  500    H    GLU  63           HN       GLU  63  -9.588 -11.540  22.788
  501    HA   GLU  63           HA       GLU  63  -8.537 -13.328  24.956
  502   1HB   GLU  63          2HB       GLU  63  -6.576 -13.629  23.460
  503   2HB   GLU  63          1HB       GLU  63  -8.072 -14.146  22.683
  504   1HG   GLU  63          2HG       GLU  63  -8.212 -12.073  21.440
  505   2HG   GLU  63          1HG       GLU  63  -6.844 -11.398  22.325
  506    HA   PRO  64           HA       PRO  64  -6.748  -9.765  26.797
  507   1HB   PRO  64          2HB       PRO  64  -4.403 -11.214  27.612
  508   2HB   PRO  64          1HB       PRO  64  -5.821 -10.802  28.579
  509   1HG   PRO  64          2HG       PRO  64  -5.053 -13.385  27.610
  510   2HG   PRO  64          1HG       PRO  64  -6.499 -12.964  28.532
  511   1HD   PRO  64          2HD       PRO  64  -6.303 -13.677  25.726
  512   2HD   PRO  64          1HD       PRO  64  -7.768 -13.337  26.677
  513    H    ASN  65           HN       ASN  65  -4.996 -11.619  24.400
  514    HA   ASN  65           HA       ASN  65  -2.738  -9.767  24.206
  515   1HB   ASN  65          2HB       ASN  65  -3.798 -11.994  22.440
  516   2HB   ASN  65          1HB       ASN  65  -2.239 -11.201  22.216
  517   1HD2  ASN  65          1HD2      ASN  65  -2.304 -13.978  22.751
  518   2HD2  ASN  65          2HD2      ASN  65  -1.701 -14.263  24.311
  519    H    ALA  66           HN       ALA  66  -5.966  -9.700  23.114
  520    HA   ALA  66           HA       ALA  66  -5.956  -8.620  20.552
  521   1HB   ALA  66          3HB       ALA  66  -7.719  -8.933  22.638
  522   2HB   ALA  66          1HB       ALA  66  -8.114  -8.146  21.110
  523   3HB   ALA  66          2HB       ALA  66  -7.630  -7.178  22.503
  524    H    GLN  67           HN       GLN  67  -5.399  -6.831  23.605
  525    HA   GLN  67           HA       GLN  67  -5.119  -4.234  22.497
  526   1HB   GLN  67          2HB       GLN  67  -3.837  -5.586  24.891
  527   2HB   GLN  67          1HB       GLN  67  -3.828  -3.844  24.620
  528   1HG   GLN  67          2HG       GLN  67  -6.303  -3.841  24.598
  529   2HG   GLN  67          1HG       GLN  67  -6.302  -5.581  24.889
  530   1HE2  GLN  67          1HE2      GLN  67  -7.561  -3.954  26.788
  531   2HE2  GLN  67          2HE2      GLN  67  -6.628  -3.892  28.205
  532    H    GLU  68           HN       GLU  68  -2.650  -6.774  23.024
  533    HA   GLU  68           HA       GLU  68  -0.479  -5.125  21.988
  534   1HB   GLU  68          2HB       GLU  68  -0.830  -8.078  22.588
  535   2HB   GLU  68          1HB       GLU  68   0.710  -7.355  22.121
  536   1HG   GLU  68          2HG       GLU  68  -0.956  -6.535  24.522
  537   2HG   GLU  68          1HG       GLU  68   0.503  -7.524  24.584
  538    H    ILE  69           HN       ILE  69  -2.705  -7.526  20.659
  539    HA   ILE  69           HA       ILE  69  -1.292  -7.859  18.137
  540    HB   ILE  69           HB       ILE  69  -4.153  -8.385  19.007
  541   1HG1  ILE  69          2HG1      ILE  69  -1.807 -10.287  18.742
  542   2HG1  ILE  69          1HG1      ILE  69  -2.328  -9.575  20.270
  543   1HG2  ILE  69          2HG2      ILE  69  -2.592  -9.085  16.522
  544   2HG2  ILE  69          1HG2      ILE  69  -3.940 -10.086  17.059
  545   3HG2  ILE  69          3HG2      ILE  69  -4.210  -8.394  16.646
  546   1HD1  ILE  69          3HD1      ILE  69  -4.465 -10.851  18.655
  547   2HD1  ILE  69          2HD1      ILE  69  -3.262 -11.950  19.332
  548   3HD1  ILE  69          1HD1      ILE  69  -4.191 -10.895  20.398
  549    H    LEU  70           HN       LEU  70  -4.173  -5.994  19.152
  550    HA   LEU  70           HA       LEU  70  -4.965  -4.872  16.728
  551   1HB   LEU  70          2HB       LEU  70  -6.107  -4.568  18.872
  552   2HB   LEU  70          1HB       LEU  70  -4.753  -3.621  19.486
  553    HG   LEU  70           HG       LEU  70  -6.894  -2.425  18.467
  554   1HD1  LEU  70          2HD1      LEU  70  -4.570  -1.517  19.248
  555   2HD1  LEU  70          1HD1      LEU  70  -4.225  -1.408  17.522
  556   3HD1  LEU  70          3HD1      LEU  70  -5.574  -0.505  18.210
  557   1HD2  LEU  70          1HD2      LEU  70  -6.508  -3.778  16.296
  558   2HD2  LEU  70          3HD2      LEU  70  -6.827  -2.052  16.132
  559   3HD2  LEU  70          2HD2      LEU  70  -5.178  -2.662  15.996
  560    H    GLN  71           HN       GLN  71  -2.672  -3.282  19.005
  561    HA   GLN  71           HA       GLN  71  -1.867  -1.142  17.395
  562   1HB   GLN  71          2HB       GLN  71  -0.300  -2.903  19.305
  563   2HB   GLN  71          1HB       GLN  71   0.271  -1.339  18.722
  564   1HG   GLN  71          2HG       GLN  71  -1.712  -0.244  19.683
  565   2HG   GLN  71          1HG       GLN  71  -2.318  -1.807  20.237
  566   1HE2  GLN  71          1HE2      GLN  71  -1.283   0.710  21.740
  567   2HE2  GLN  71          2HE2      GLN  71  -0.156   0.077  22.840
  568    H    ARG  72           HN       ARG  72  -0.292  -4.359  17.556
  569    HA   ARG  72           HA       ARG  72   1.671  -4.018  15.579
  570   1HB   ARG  72          2HB       ARG  72   1.250  -5.975  17.123
  571   2HB   ARG  72          1HB       ARG  72  -0.051  -6.474  16.042
  572   1HG   ARG  72          2HG       ARG  72   1.579  -6.594  14.170
  573   2HG   ARG  72          1HG       ARG  72   2.871  -6.157  15.288
  574   1HD   ARG  72          2HD       ARG  72   1.098  -8.617  15.544
  575   2HD   ARG  72          1HD       ARG  72   2.783  -8.613  14.991
  576    HE   ARG  72           HE       ARG  72   1.866  -7.968  17.752
  577   1HH1  ARG  72          1HH1      ARG  72   4.237  -6.359  16.556
  578   2HH1  ARG  72          2HH1      ARG  72   5.571  -7.254  17.204
  579   1HH2  ARG  72          1HH2      ARG  72   3.638  -9.989  18.104
  580   2HH2  ARG  72          2HH2      ARG  72   5.231  -9.310  18.081
  581    H    LEU  73           HN       LEU  73  -1.630  -5.332  15.081
  582    HA   LEU  73           HA       LEU  73  -1.601  -5.604  12.291
  583   1HB   LEU  73          2HB       LEU  73  -3.794  -4.677  14.175
  584   2HB   LEU  73          1HB       LEU  73  -4.074  -5.262  12.535
  585    HG   LEU  73           HG       LEU  73  -2.815  -6.823  14.811
  586   1HD1  LEU  73          3HD1      LEU  73  -5.377  -6.432  14.673
  587   2HD1  LEU  73          2HD1      LEU  73  -5.316  -7.502  13.272
  588   3HD1  LEU  73          1HD1      LEU  73  -4.804  -8.090  14.853
  589   1HD2  LEU  73          2HD2      LEU  73  -2.685  -7.130  11.914
  590   2HD2  LEU  73          1HD2      LEU  73  -1.800  -7.996  13.169
  591   3HD2  LEU  73          3HD2      LEU  73  -3.408  -8.540  12.690
  592    H    GLU  74           HN       GLU  74  -2.539  -2.695  14.173
  593    HA   GLU  74           HA       GLU  74  -3.172  -0.968  12.049
  594   1HB   GLU  74          2HB       GLU  74  -1.721  -0.408  14.658
  595   2HB   GLU  74          1HB       GLU  74  -2.546   0.804  13.677
  596   1HG   GLU  74          2HG       GLU  74  -4.667  -0.485  13.937
  597   2HG   GLU  74          1HG       GLU  74  -3.823  -1.607  15.003
  598    H    GLU  75           HN       GLU  75   0.042  -1.501  13.557
  599    HA   GLU  75           HA       GLU  75   1.538   0.280  11.941
  600   1HB   GLU  75          2HB       GLU  75   2.270  -0.922  14.006
  601   2HB   GLU  75          1HB       GLU  75   2.330  -2.422  13.080
  602   1HG   GLU  75          2HG       GLU  75   3.975  -1.349  11.533
  603   2HG   GLU  75          1HG       GLU  75   3.972   0.077  12.571
  604    H    ILE  76           HN       ILE  76   0.938  -3.226  11.449
  605    HA   ILE  76           HA       ILE  76   2.290  -3.422   8.934
  606    HB   ILE  76           HB       ILE  76  -0.083  -4.977  10.021
  607   1HG1  ILE  76          2HG1      ILE  76   1.642  -4.970  11.696
  608   2HG1  ILE  76          1HG1      ILE  76   1.765  -6.514  10.853
  609   1HG2  ILE  76          3HG2      ILE  76   1.815  -5.341   7.754
  610   2HG2  ILE  76          2HG2      ILE  76   1.409  -6.779   8.690
  611   3HG2  ILE  76          1HG2      ILE  76   0.133  -5.849   7.904
  612   1HD1  ILE  76          1HD1      ILE  76   3.563  -5.589   9.431
  613   2HD1  ILE  76          3HD1      ILE  76   3.442  -4.050  10.281
  614   3HD1  ILE  76          2HD1      ILE  76   3.992  -5.490  11.138
  615    H    ALA  77           HN       ALA  77  -1.057  -2.600   9.792
  616    HA   ALA  77           HA       ALA  77  -2.235  -2.635   7.211
  617   1HB   ALA  77          3HB       ALA  77  -2.994  -2.040   9.762
  618   2HB   ALA  77          1HB       ALA  77  -3.979  -1.666   8.348
  619   3HB   ALA  77          2HB       ALA  77  -2.950  -0.422   9.059
  620    H    GLU  78           HN       GLU  78  -0.189  -0.233   8.799
  621    HA   GLU  78           HA       GLU  78  -0.540   1.936   6.978
  622   1HB   GLU  78          2HB       GLU  78   0.511   2.067   9.203
  623   2HB   GLU  78          1HB       GLU  78   1.845   1.062   8.639
  624   1HG   GLU  78          2HG       GLU  78   2.390   2.783   6.932
  625   2HG   GLU  78          1HG       GLU  78   1.090   3.796   7.561
  626    H    ASP  79           HN       ASP  79   1.770  -0.797   6.954
  627    HA   ASP  79           HA       ASP  79   2.185  -0.344   4.042
  628   1HB   ASP  79          2HB       ASP  79   4.030   0.261   6.233
  629   2HB   ASP  79          1HB       ASP  79   4.739  -0.825   5.039
  630    HA   PRO  80           HA       PRO  80   2.410  -4.708   3.677
  631   1HB   PRO  80          2HB       PRO  80   5.006  -4.823   2.438
  632   2HB   PRO  80          1HB       PRO  80   3.423  -4.918   1.662
  633   1HG   PRO  80          2HG       PRO  80   5.301  -2.731   1.613
  634   2HG   PRO  80          1HG       PRO  80   3.743  -2.849   0.792
  635   1HD   PRO  80          2HD       PRO  80   4.408  -1.198   3.045
  636   2HD   PRO  80          1HD       PRO  80   2.814  -1.386   2.276
  637    H    GLY  81           HN       GLY  81   5.743  -3.546   4.353
  638   1HA   GLY  81          1HA       GLY  81   5.813  -4.826   6.950
  639   2HA   GLY  81          2HA       GLY  81   7.192  -4.102   6.123
  640    H    THR  82           HN       THR  82   7.312  -5.572   3.798
  641    HA   THR  82           HA       THR  82   8.372  -7.550   3.048
  642    HB   THR  82           HB       THR  82   9.520  -8.785   4.642
  643    HG1  THR  82          1HG       THR  82   8.400  -8.693   6.908
  644   1HG2  THR  82          3HG2      THR  82   9.387  -6.092   5.096
  645   2HG2  THR  82          2HG2      THR  82   8.953  -6.732   6.681
  646   3HG2  THR  82          1HG2      THR  82  10.484  -7.190   5.935
  647    H    CYS  83           HN       CYS  83   5.722  -8.038   5.407
  648    HA   CYS  83           HA       CYS  83   4.817 -10.574   4.856
  649   1HB   CYS  83          2HB       CYS  83   3.788  -8.793   6.322
  650   2HB   CYS  83          1HB       CYS  83   3.087  -8.080   4.869
  651    H    GLU  84           HN       GLU  84   4.151  -7.699   2.825
  652    HA   GLU  84           HA       GLU  84   2.650  -9.050   0.808
  653   1HB   GLU  84          2HB       GLU  84   2.780  -6.598   1.213
  654   2HB   GLU  84          1HB       GLU  84   4.441  -6.608   0.621
  655   1HG   GLU  84          2HG       GLU  84   3.636  -7.497  -1.555
  656   2HG   GLU  84          1HG       GLU  84   1.978  -7.415  -0.959
  657    H    ILE  85           HN       ILE  85   6.163  -8.347   1.021
  658    HA   ILE  85           HA       ILE  85   6.666  -9.697  -1.544
  659    HB   ILE  85           HB       ILE  85   8.878  -8.886  -1.238
  660   1HG1  ILE  85          2HG1      ILE  85   8.178  -8.882   1.701
  661   2HG1  ILE  85          1HG1      ILE  85   9.466  -9.774   0.894
  662   1HG2  ILE  85          2HG2      ILE  85   6.665  -7.208  -0.826
  663   2HG2  ILE  85          1HG2      ILE  85   7.846  -6.712   0.386
  664   3HG2  ILE  85          3HG2      ILE  85   8.283  -6.713  -1.323
  665   1HD1  ILE  85          2HD1      ILE  85  10.413  -7.477   0.233
  666   2HD1  ILE  85          1HD1      ILE  85   9.294  -6.801   1.417
  667   3HD1  ILE  85          3HD1      ILE  85  10.550  -7.925   1.934
  668    H    CYS  86           HN       CYS  86   5.641 -11.102   1.060
  669    HA   CYS  86           HA       CYS  86   5.982 -13.191   2.107
  670   1HB   CYS  86          2HB       CYS  86   6.527 -13.303  -0.690
  671   2HB   CYS  86          1HB       CYS  86   7.697 -14.346   0.119
  672    H    ALA  87           HN       ALA  87   8.219 -10.956   2.171
  673    HA   ALA  87           HA       ALA  87  10.729 -12.337   2.490
  674   1HB   ALA  87          1HB       ALA  87  10.928 -10.072   4.001
  675   2HB   ALA  87          2HB       ALA  87   9.527  -9.676   3.006
  676   3HB   ALA  87          3HB       ALA  87  11.063 -10.083   2.243
  677    H    TYR  88           HN       TYR  88   7.941 -11.921   4.530
  678    HA   TYR  88           HA       TYR  88   9.381 -13.332   6.749
  679   1HB   TYR  88          2HB       TYR  88   7.551 -10.923   6.779
  680   2HB   TYR  88          1HB       TYR  88   7.837 -11.885   8.228
  681    HD1  TYR  88           HD1      TYR  88   9.773 -10.271   5.448
  682    HD2  TYR  88           HD2      TYR  88   9.603 -11.267   9.619
  683    HE1  TYR  88           HE1      TYR  88  11.908  -9.067   5.818
  684    HE2  TYR  88           HE2      TYR  88  11.739 -10.062   9.993
  685    HH   TYR  88           HH       TYR  88  13.012  -8.181   8.845
  686    H    ALA  89           HN       ALA  89   7.691 -14.361   8.279
  687    HA   ALA  89           HA       ALA  89   5.778 -15.891   6.670
  688   1HB   ALA  89          1HB       ALA  89   6.462 -17.306   8.302
  689   2HB   ALA  89          2HB       ALA  89   5.397 -16.420   9.393
  690   3HB   ALA  89          3HB       ALA  89   7.100 -15.976   9.269
  691    H    ALA  90           HN       ALA  90   5.641 -12.853   7.998
  692    HA   ALA  90           HA       ALA  90   3.169 -12.722   9.387
  693   1HB   ALA  90          3HB       ALA  90   5.174 -11.018   8.481
  694   2HB   ALA  90          1HB       ALA  90   3.739 -10.528   9.382
  695   3HB   ALA  90          2HB       ALA  90   3.740 -10.461   7.619
  696    H    CYS  91           HN       CYS  91   3.853 -13.036   5.957
  697    HA   CYS  91           HA       CYS  91   0.948 -12.638   5.343
  698   1HB   CYS  91          2HB       CYS  91   3.474 -11.883   4.132
  699   2HB   CYS  91          1HB       CYS  91   2.463 -12.760   2.983
  700    H    THR  92           HN       THR  92  -0.202 -14.448   4.794
  701    HA   THR  92           HA       THR  92   1.327 -16.915   4.026
  702    HB   THR  92           HB       THR  92  -0.439 -18.130   5.126
  703    HG1  THR  92          1HG       THR  92  -1.814 -15.756   5.698
  704   1HG2  THR  92          2HG2      THR  92   1.145 -16.242   6.444
  705   2HG2  THR  92          1HG2      THR  92  -0.466 -16.017   7.125
  706   3HG2  THR  92          3HG2      THR  92   0.304 -17.603   7.186
  707    H    GLY  93           HN       GLY  93   0.116 -18.356   2.474
  708   1HA   GLY  93          1HA       GLY  93  -1.990 -17.052   0.875
  709   2HA   GLY  93          2HA       GLY  93  -1.426 -18.711   0.687
  710    H    CYS  94           HN       CYS  94   0.917 -16.140   0.887
  711    HA   CYS  94           HA       CYS  94   2.191 -15.064  -0.819
  712   1HB   CYS  94          2HB       CYS  94   2.373 -17.977  -0.757
  713   2HB   CYS  94          1HB       CYS  94   2.836 -17.325  -2.329

  No H/Q in entry =         713
  Start of MODEL    7
    1    H1   VAL   1          2H        VAL   1  -1.670 -12.696   0.527
    2    H2   VAL   1          1H        VAL   1  -1.745 -11.530  -0.706
    3    H3   VAL   1          3H        VAL   1  -0.413 -12.576  -0.609
    4    HA   VAL   1           HA       VAL   1   0.488 -11.502   1.231
    5    HB   VAL   1           HB       VAL   1  -0.954  -9.505  -0.544
    6   1HG1  VAL   1          3HG1      VAL   1   0.051  -8.635   1.652
    7   2HG1  VAL   1          2HG1      VAL   1   1.621  -9.077   0.981
    8   3HG1  VAL   1          1HG1      VAL   1   0.624  -7.869   0.170
    9   1HG2  VAL   1          3HG2      VAL   1   0.546 -11.284  -1.605
   10   2HG2  VAL   1          2HG2      VAL   1   0.976  -9.608  -1.949
   11   3HG2  VAL   1          1HG2      VAL   1   1.887 -10.524  -0.748
   12    H    THR   2           HN       THR   2  -1.113 -12.312   2.944
   13    HA   THR   2           HA       THR   2  -2.789 -10.024   3.930
   14    HB   THR   2           HB       THR   2  -3.290 -13.010   4.161
   15    HG1  THR   2          1HG       THR   2  -3.931 -12.692   2.187
   16   1HG2  THR   2          1HG2      THR   2  -4.809 -10.555   5.045
   17   2HG2  THR   2          3HG2      THR   2  -5.613 -12.105   4.805
   18   3HG2  THR   2          2HG2      THR   2  -4.336 -11.953   6.010
   19    H    VAL   3           HN       VAL   3  -2.768  -9.699   6.196
   20    HA   VAL   3           HA       VAL   3  -0.372 -10.674   7.598
   21    HB   VAL   3           HB       VAL   3  -2.697  -8.888   8.398
   22   1HG1  VAL   3          1HG1      VAL   3  -1.220 -10.071  10.215
   23   2HG1  VAL   3          3HG1      VAL   3   0.010  -8.913   9.708
   24   3HG1  VAL   3          2HG1      VAL   3  -1.528  -8.340  10.351
   25   1HG2  VAL   3          2HG2      VAL   3  -0.431  -8.496   6.681
   26   2HG2  VAL   3          1HG2      VAL   3  -1.678  -7.333   7.132
   27   3HG2  VAL   3          3HG2      VAL   3  -0.228  -7.500   8.122
   28    H    GLN   4           HN       GLN   4  -0.516 -12.747   8.435
   29    HA   GLN   4           HA       GLN   4  -3.118 -13.563   9.680
   30   1HB   GLN   4          2HB       GLN   4  -2.282 -14.851   7.719
   31   2HB   GLN   4          1HB       GLN   4  -0.810 -15.220   8.616
   32   1HG   GLN   4          2HG       GLN   4  -2.264 -16.253  10.405
   33   2HG   GLN   4          1HG       GLN   4  -3.637 -16.049   9.320
   34   1HE2  GLN   4          1HE2      GLN   4  -1.361 -18.305  10.259
   35   2HE2  GLN   4          2HE2      GLN   4  -1.332 -19.266   8.860
   36    H    ASP   5           HN       ASP   5  -3.120 -13.998  11.844
   37    HA   ASP   5           HA       ASP   5  -0.556 -13.776  13.338
   38   1HB   ASP   5          2HB       ASP   5  -2.591 -12.420  13.908
   39   2HB   ASP   5          1HB       ASP   5  -3.438 -13.921  14.281
   40    H    GLY   6           HN       GLY   6  -3.477 -15.728  13.900
   41   1HA   GLY   6          1HA       GLY   6  -3.395 -17.858  15.078
   42   2HA   GLY   6          2HA       GLY   6  -1.714 -18.033  14.568
   43    H    ASN   7           HN       ASN   7  -4.534 -19.460  14.081
   44    HA   ASN   7           HA       ASN   7  -3.772 -20.518  11.462
   45   1HB   ASN   7          2HB       ASN   7  -6.195 -20.952  13.237
   46   2HB   ASN   7          1HB       ASN   7  -5.724 -21.978  11.883
   47   1HD2  ASN   7          1HD2      ASN   7  -2.797 -21.638  12.551
   48   2HD2  ASN   7          2HD2      ASN   7  -2.532 -22.621  13.909
   49    H    PHE   8           HN       PHE   8  -5.259 -17.680  12.239
   50    HA   PHE   8           HA       PHE   8  -7.095 -17.811   9.868
   51   1HB   PHE   8          2HB       PHE   8  -7.197 -16.177  12.422
   52   2HB   PHE   8          1HB       PHE   8  -8.351 -16.030  11.096
   53    HD1  PHE   8           HD1      PHE   8  -9.828 -17.946  10.498
   54    HD2  PHE   8           HD2      PHE   8  -7.262 -18.043  13.942
   55    HE1  PHE   8           HE1      PHE   8 -11.109 -19.869  11.398
   56    HE2  PHE   8           HE2      PHE   8  -8.544 -19.965  14.843
   57    HZ   PHE   8           HZ       PHE   8 -10.467 -20.879  13.570
   58    H    SER   9           HN       SER   9  -6.694 -16.353   8.235
   59    HA   SER   9           HA       SER   9  -4.350 -14.575   8.463
   60   1HB   SER   9          2HB       SER   9  -4.845 -16.050   6.500
   61   2HB   SER   9          1HB       SER   9  -6.295 -15.095   6.190
   62    HG   SER   9           HG       SER   9  -4.365 -14.471   4.994
   63    H    PHE  10           HN       PHE  10  -4.492 -12.349   8.692
   64    HA   PHE  10           HA       PHE  10  -7.246 -11.163   8.731
   65   1HB   PHE  10          2HB       PHE  10  -4.692 -10.474  10.216
   66   2HB   PHE  10          1HB       PHE  10  -6.201  -9.573  10.360
   67    HD1  PHE  10           HD1      PHE  10  -8.339 -11.091  10.854
   68    HD2  PHE  10           HD2      PHE  10  -4.282 -12.174  11.756
   69    HE1  PHE  10           HE1      PHE  10  -9.145 -12.704  12.551
   70    HE2  PHE  10           HE2      PHE  10  -5.092 -13.789  13.455
   71    HZ   PHE  10           HZ       PHE  10  -7.525 -14.054  13.854
   72    H    SER  11           HN       SER  11  -7.631  -9.656   7.157
   73    HA   SER  11           HA       SER  11  -5.513  -8.731   5.380
   74   1HB   SER  11          2HB       SER  11  -7.910  -9.230   4.780
   75   2HB   SER  11          1HB       SER  11  -8.386  -7.804   5.703
   76    HG   SER  11           HG       SER  11  -7.805  -7.771   3.247
   77    H    LEU  12           HN       LEU  12  -5.419  -6.236   4.954
   78    HA   LEU  12           HA       LEU  12  -5.054  -4.892   7.596
   79   1HB   LEU  12          2HB       LEU  12  -4.019  -4.284   4.807
   80   2HB   LEU  12          1HB       LEU  12  -3.549  -3.430   6.276
   81    HG   LEU  12           HG       LEU  12  -2.855  -5.736   7.190
   82   1HD1  LEU  12          2HD1      LEU  12  -3.569  -6.355   4.362
   83   2HD1  LEU  12          1HD1      LEU  12  -2.117  -7.122   5.008
   84   3HD1  LEU  12          3HD1      LEU  12  -3.674  -7.375   5.797
   85   1HD2  LEU  12          1HD2      LEU  12  -1.519  -3.827   5.576
   86   2HD2  LEU  12          3HD2      LEU  12  -0.796  -4.962   6.715
   87   3HD2  LEU  12          2HD2      LEU  12  -0.986  -5.413   5.021
   88    H    GLU  13           HN       GLU  13  -7.444  -5.075   5.347
   89    HA   GLU  13           HA       GLU  13  -8.024  -2.290   4.813
   90   1HB   GLU  13          2HB       GLU  13  -8.801  -4.250   3.486
   91   2HB   GLU  13          1HB       GLU  13  -9.820  -4.734   4.842
   92   1HG   GLU  13          2HG       GLU  13 -10.992  -2.542   4.707
   93   2HG   GLU  13          1HG       GLU  13 -10.009  -2.124   3.304
   94    H    SER  14           HN       SER  14 -10.104  -4.512   6.698
   95    HA   SER  14           HA       SER  14 -11.558  -2.593   8.107
   96   1HB   SER  14          2HB       SER  14 -10.554  -5.196   9.280
   97   2HB   SER  14          1HB       SER  14 -12.098  -4.399   9.588
   98    HG   SER  14           HG       SER  14 -12.470  -6.008   8.118
   99    H    VAL  15           HN       VAL  15  -8.443  -4.072   9.122
  100    HA   VAL  15           HA       VAL  15  -8.221  -2.743  11.619
  101    HB   VAL  15           HB       VAL  15  -6.280  -3.848   9.590
  102   1HG1  VAL  15          2HG1      VAL  15  -5.282  -1.920  10.954
  103   2HG1  VAL  15          1HG1      VAL  15  -5.528  -2.936  12.375
  104   3HG1  VAL  15          3HG1      VAL  15  -4.453  -3.471  11.084
  105   1HG2  VAL  15          2HG2      VAL  15  -7.841  -4.811  11.848
  106   2HG2  VAL  15          1HG2      VAL  15  -6.939  -5.737  10.646
  107   3HG2  VAL  15          3HG2      VAL  15  -6.122  -5.131  12.087
  108    H    LYS  16           HN       LYS  16  -6.894  -1.755   8.416
  109    HA   LYS  16           HA       LYS  16  -5.782   0.724   9.221
  110   1HB   LYS  16          2HB       LYS  16  -5.520  -0.332   6.994
  111   2HB   LYS  16          1HB       LYS  16  -7.227  -0.040   6.655
  112   1HG   LYS  16          2HG       LYS  16  -6.783   2.425   7.011
  113   2HG   LYS  16          1HG       LYS  16  -5.064   2.039   7.087
  114   1HD   LYS  16          2HD       LYS  16  -5.204   1.034   4.824
  115   2HD   LYS  16          1HD       LYS  16  -6.913   1.464   4.749
  116   1HE   LYS  16          2HE       LYS  16  -4.801   3.565   5.286
  117   2HE   LYS  16          1HE       LYS  16  -5.253   3.107   3.634
  118   1HZ   LYS  16          3HZ       LYS  16  -7.649   3.303   4.784
  119   2HZ   LYS  16          2HZ       LYS  16  -6.810   4.484   5.671
  120   3HZ   LYS  16          1HZ       LYS  16  -6.903   4.596   3.979
  121    H    LYS  17           HN       LYS  17  -9.042   0.092   7.876
  122    HA   LYS  17           HA       LYS  17 -10.019   2.748   8.636
  123   1HB   LYS  17          2HB       LYS  17 -11.418   0.241   7.639
  124   2HB   LYS  17          1HB       LYS  17 -12.108   1.864   7.660
  125   1HG   LYS  17          2HG       LYS  17  -9.563   1.153   6.180
  126   2HG   LYS  17          1HG       LYS  17 -11.157   1.159   5.425
  127   1HD   LYS  17          2HD       LYS  17 -11.390   3.561   6.280
  128   2HD   LYS  17          1HD       LYS  17  -9.664   3.494   6.634
  129   1HE   LYS  17          2HE       LYS  17  -9.311   4.087   4.468
  130   2HE   LYS  17          1HE       LYS  17  -9.922   2.486   4.011
  131   1HZ   LYS  17          1HZ       LYS  17 -11.720   4.748   4.677
  132   2HZ   LYS  17          3HZ       LYS  17 -11.184   4.469   3.093
  133   3HZ   LYS  17          2HZ       LYS  17 -12.115   3.294   3.892
  134    H    LEU  18           HN       LEU  18  -9.136   0.400  10.608
  135    HA   LEU  18           HA       LEU  18 -11.398  -0.401  12.131
  136   1HB   LEU  18          2HB       LEU  18  -9.112  -1.348  12.177
  137   2HB   LEU  18          1HB       LEU  18  -8.507   0.145  12.887
  138    HG   LEU  18           HG       LEU  18  -9.851  -0.205  14.883
  139   1HD1  LEU  18          3HD1      LEU  18 -10.946  -2.535  13.296
  140   2HD1  LEU  18          2HD1      LEU  18 -11.114  -2.427  15.048
  141   3HD1  LEU  18          1HD1      LEU  18 -11.843  -1.197  14.016
  142   1HD2  LEU  18          2HD2      LEU  18  -7.643  -1.641  14.228
  143   2HD2  LEU  18          1HD2      LEU  18  -8.457  -1.793  15.785
  144   3HD2  LEU  18          3HD2      LEU  18  -8.786  -2.958  14.502
  145    H    LYS  19           HN       LYS  19  -9.276   2.466  12.370
  146    HA   LYS  19           HA       LYS  19 -10.348   3.547  14.787
  147   1HB   LYS  19          2HB       LYS  19  -9.150   4.834  12.311
  148   2HB   LYS  19          1HB       LYS  19  -9.394   5.676  13.841
  149   1HG   LYS  19          2HG       LYS  19  -7.933   4.057  14.981
  150   2HG   LYS  19          1HG       LYS  19  -7.709   3.179  13.468
  151   1HD   LYS  19          2HD       LYS  19  -5.794   4.613  13.734
  152   2HD   LYS  19          1HD       LYS  19  -6.801   5.332  12.477
  153   1HE   LYS  19          2HE       LYS  19  -7.880   6.625  14.534
  154   2HE   LYS  19          1HE       LYS  19  -6.311   6.276  15.282
  155   1HZ   LYS  19          3HZ       LYS  19  -5.261   7.109  13.211
  156   2HZ   LYS  19          2HZ       LYS  19  -6.792   7.594  12.659
  157   3HZ   LYS  19          1HZ       LYS  19  -6.120   8.308  14.046
  158    H    ASP  20           HN       ASP  20 -11.275   4.073  11.377
  159    HA   ASP  20           HA       ASP  20 -13.774   5.430  12.330
  160   1HB   ASP  20          2HB       ASP  20 -12.171   6.701  10.887
  161   2HB   ASP  20          1HB       ASP  20 -12.381   5.482   9.631
  162    H    LEU  21           HN       LEU  21 -15.478   3.993  12.307
  163    HA   LEU  21           HA       LEU  21 -15.430   1.720  10.394
  164   1HB   LEU  21          2HB       LEU  21 -15.934   1.715  12.967
  165   2HB   LEU  21          1HB       LEU  21 -17.536   2.265  12.473
  166    HG   LEU  21           HG       LEU  21 -17.699  -0.107  12.538
  167   1HD1  LEU  21          1HD1      LEU  21 -17.070   0.704   9.683
  168   2HD1  LEU  21          3HD1      LEU  21 -17.959  -0.743  10.154
  169   3HD1  LEU  21          2HD1      LEU  21 -18.637   0.852  10.479
  170   1HD2  LEU  21          3HD2      LEU  21 -14.903   0.047  11.945
  171   2HD2  LEU  21          2HD2      LEU  21 -15.833  -1.362  12.457
  172   3HD2  LEU  21          1HD2      LEU  21 -15.667  -0.992  10.741
  173    H    GLN  22           HN       GLN  22 -16.222   2.335   8.409
  174    HA   GLN  22           HA       GLN  22 -18.999   2.894   8.038
  175   1HB   GLN  22          2HB       GLN  22 -18.247   5.044   9.088
  176   2HB   GLN  22          1HB       GLN  22 -17.143   5.279   7.732
  177   1HG   GLN  22          2HG       GLN  22 -19.019   5.297   6.165
  178   2HG   GLN  22          1HG       GLN  22 -20.149   4.942   7.472
  179   1HE2  GLN  22          1HE2      GLN  22 -20.675   7.252   6.075
  180   2HE2  GLN  22          2HE2      GLN  22 -20.244   8.620   6.981
  181    H    GLU  23           HN       GLU  23 -17.473   1.078   6.759
  182    HA   GLU  23           HA       GLU  23 -17.389   2.112   3.976
  183   1HB   GLU  23          2HB       GLU  23 -15.102   1.470   3.668
  184   2HB   GLU  23          1HB       GLU  23 -15.141   2.365   5.187
  185   1HG   GLU  23          2HG       GLU  23 -15.324  -0.655   4.999
  186   2HG   GLU  23          1HG       GLU  23 -13.826   0.222   5.308
  187    HA   PRO  24           HA       PRO  24 -18.961  -1.829   2.870
  188   1HB   PRO  24          2HB       PRO  24 -17.051  -2.327   0.775
  189   2HB   PRO  24          1HB       PRO  24 -18.702  -1.722   0.621
  190   1HG   PRO  24          2HG       PRO  24 -16.250  -0.271   0.259
  191   2HG   PRO  24          1HG       PRO  24 -17.901   0.333   0.102
  192   1HD   PRO  24          2HD       PRO  24 -15.997   0.902   2.195
  193   2HD   PRO  24          1HD       PRO  24 -17.662   1.509   2.041
  194    H    GLN  25           HN       GLN  25 -18.504  -4.097   3.136
  195    HA   GLN  25           HA       GLN  25 -16.454  -4.816   4.965
  196   1HB   GLN  25          2HB       GLN  25 -18.634  -5.984   4.411
  197   2HB   GLN  25          1HB       GLN  25 -17.859  -6.593   2.949
  198   1HG   GLN  25          2HG       GLN  25 -17.606  -8.307   4.606
  199   2HG   GLN  25          1HG       GLN  25 -16.031  -7.527   4.461
  200   1HE2  GLN  25          1HE2      GLN  25 -15.118  -6.958   6.437
  201   2HE2  GLN  25          2HE2      GLN  25 -15.987  -6.632   7.857
  202    H    GLU  26           HN       GLU  26 -16.121  -7.159   2.635
  203    HA   GLU  26           HA       GLU  26 -13.651  -5.901   1.491
  204   1HB   GLU  26          2HB       GLU  26 -13.896  -7.977   3.385
  205   2HB   GLU  26          1HB       GLU  26 -13.465  -8.769   1.869
  206   1HG   GLU  26          2HG       GLU  26 -11.719  -6.775   1.714
  207   2HG   GLU  26          1HG       GLU  26 -11.926  -6.751   3.465
  208    HA   PRO  27           HA       PRO  27 -16.598  -7.765  -1.697
  209   1HB   PRO  27          2HB       PRO  27 -16.197  -5.344  -3.194
  210   2HB   PRO  27          1HB       PRO  27 -17.685  -5.922  -2.440
  211   1HG   PRO  27          2HG       PRO  27 -16.018  -3.734  -1.608
  212   2HG   PRO  27          1HG       PRO  27 -17.505  -4.311  -0.855
  213   1HD   PRO  27          2HD       PRO  27 -14.802  -4.580   0.126
  214   2HD   PRO  27          1HD       PRO  27 -16.302  -5.159   0.886
  215    H    ARG  28           HN       ARG  28 -13.614  -5.863  -1.963
  216    HA   ARG  28           HA       ARG  28 -12.573  -7.876  -3.912
  217   1HB   ARG  28          2HB       ARG  28 -12.565  -4.851  -4.181
  218   2HB   ARG  28          1HB       ARG  28 -11.706  -5.951  -5.259
  219   1HG   ARG  28          2HG       ARG  28 -14.695  -6.043  -4.757
  220   2HG   ARG  28          1HG       ARG  28 -13.945  -5.254  -6.145
  221   1HD   ARG  28          2HD       ARG  28 -12.934  -7.413  -6.825
  222   2HD   ARG  28          1HD       ARG  28 -13.704  -8.203  -5.437
  223    HE   ARG  28           HE       ARG  28 -15.635  -8.265  -6.801
  224   1HH1  ARG  28          1HH1      ARG  28 -15.974  -5.287  -6.248
  225   2HH1  ARG  28          2HH1      ARG  28 -16.142  -4.666  -7.856
  226   1HH2  ARG  28          1HH2      ARG  28 -14.907  -7.529  -9.375
  227   2HH2  ARG  28          2HH2      ARG  28 -15.537  -5.935  -9.626
  228    H    VAL  29           HN       VAL  29 -10.260  -8.072  -3.848
  229    HA   VAL  29           HA       VAL  29  -8.938  -6.631  -1.569
  230    HB   VAL  29           HB       VAL  29  -8.545  -9.476  -2.559
  231   1HG1  VAL  29          3HG1      VAL  29  -6.622  -8.141  -1.402
  232   2HG1  VAL  29          2HG1      VAL  29  -7.591  -8.335   0.060
  233   3HG1  VAL  29          1HG1      VAL  29  -7.007  -9.756  -0.806
  234   1HG2  VAL  29          2HG2      VAL  29 -10.754  -8.795  -1.351
  235   2HG2  VAL  29          1HG2      VAL  29  -9.875 -10.205  -0.761
  236   3HG2  VAL  29          3HG2      VAL  29  -9.739  -8.664   0.085
  237    H    GLY  30           HN       GLY  30  -6.855  -5.845  -1.993
  238   1HA   GLY  30          1HA       GLY  30  -5.932  -6.100  -4.821
  239   2HA   GLY  30          2HA       GLY  30  -4.793  -6.320  -3.494
  240    H    LYS  31           HN       LYS  31  -6.348  -4.161  -1.966
  241    HA   LYS  31           HA       LYS  31  -5.509  -1.760  -3.537
  242   1HB   LYS  31          2HB       LYS  31  -7.303  -2.196  -1.127
  243   2HB   LYS  31          1HB       LYS  31  -6.950  -0.610  -1.813
  244   1HG   LYS  31          2HG       LYS  31  -7.868  -1.366  -3.990
  245   2HG   LYS  31          1HG       LYS  31  -8.257  -2.929  -3.270
  246   1HD   LYS  31          2HD       LYS  31 -10.272  -1.630  -3.184
  247   2HD   LYS  31          1HD       LYS  31  -9.627  -1.653  -1.543
  248   1HE   LYS  31          2HE       LYS  31  -8.438   0.558  -2.934
  249   2HE   LYS  31          1HE       LYS  31 -10.197   0.634  -3.151
  250   1HZ   LYS  31          2HZ       LYS  31  -8.787   0.195  -0.565
  251   2HZ   LYS  31          1HZ       LYS  31  -9.510   1.655  -1.048
  252   3HZ   LYS  31          3HZ       LYS  31 -10.471   0.284  -0.775
  253    H    LEU  32           HN       LEU  32  -4.172  -0.157  -2.484
  254    HA   LEU  32           HA       LEU  32  -2.217  -1.279  -0.607
  255   1HB   LEU  32          2HB       LEU  32  -1.713   0.231  -2.554
  256   2HB   LEU  32          1HB       LEU  32  -2.553   1.531  -1.707
  257    HG   LEU  32           HG       LEU  32  -0.967   1.142   0.238
  258   1HD1  LEU  32          2HD1      LEU  32  -0.351  -1.188  -0.706
  259   2HD1  LEU  32          1HD1      LEU  32   0.729  -0.313  -1.791
  260   3HD1  LEU  32          3HD1      LEU  32   0.957  -0.206  -0.046
  261   1HD2  LEU  32          3HD2      LEU  32  -0.732   2.783  -1.869
  262   2HD2  LEU  32          2HD2      LEU  32   0.514   2.685  -0.624
  263   3HD2  LEU  32          1HD2      LEU  32   0.710   1.805  -2.140
  264    H    ARG  33           HN       ARG  33  -2.109  -0.834   1.590
  265    HA   ARG  33           HA       ARG  33  -4.108   1.115   2.694
  266   1HB   ARG  33          2HB       ARG  33  -3.253  -1.638   3.637
  267   2HB   ARG  33          1HB       ARG  33  -4.236  -0.542   4.608
  268   1HG   ARG  33          2HG       ARG  33  -5.914  -0.466   2.774
  269   2HG   ARG  33          1HG       ARG  33  -4.944  -1.626   1.865
  270   1HD   ARG  33          2HD       ARG  33  -5.174  -3.248   3.754
  271   2HD   ARG  33          1HD       ARG  33  -6.236  -2.091   4.575
  272    HE   ARG  33           HE       ARG  33  -7.918  -2.545   2.945
  273   1HH1  ARG  33          1HH1      ARG  33  -5.455  -4.791   2.753
  274   2HH1  ARG  33          2HH1      ARG  33  -5.788  -5.293   1.130
  275   1HH2  ARG  33          1HH2      ARG  33  -8.104  -2.779   0.546
  276   2HH2  ARG  33          2HH2      ARG  33  -7.288  -4.155  -0.119
  277    H    ASN  34           HN       ASN  34  -3.320   2.475   4.318
  278    HA   ASN  34           HA       ASN  34  -0.510   2.013   5.252
  279   1HB   ASN  34          2HB       ASN  34   0.007   4.296   4.758
  280   2HB   ASN  34          1HB       ASN  34  -0.855   3.696   3.341
  281   1HD2  ASN  34          1HD2      ASN  34  -0.863   6.464   3.824
  282   2HD2  ASN  34          2HD2      ASN  34  -2.409   6.951   4.325
  283    H    PHE  35           HN       PHE  35  -0.083   3.652   7.164
  284    HA   PHE  35           HA       PHE  35  -2.401   4.474   8.737
  285   1HB   PHE  35          2HB       PHE  35  -2.406   1.993   8.953
  286   2HB   PHE  35          1HB       PHE  35  -0.763   2.064   9.590
  287    HD1  PHE  35           HD1      PHE  35  -4.302   2.900  10.247
  288    HD2  PHE  35           HD2      PHE  35  -0.310   2.871  11.831
  289    HE1  PHE  35           HE1      PHE  35  -5.200   3.333  12.519
  290    HE2  PHE  35           HE2      PHE  35  -1.207   3.304  14.102
  291    HZ   PHE  35           HZ       PHE  35  -3.653   3.535  14.446
  292    H    ALA  36           HN       ALA  36  -1.585   5.138  11.029
  293    HA   ALA  36           HA       ALA  36   0.599   6.949  10.799
  294   1HB   ALA  36          3HB       ALA  36  -1.447   6.459  12.535
  295   2HB   ALA  36          1HB       ALA  36  -0.099   7.535  12.901
  296   3HB   ALA  36          2HB       ALA  36  -0.078   5.868  13.475
  297    HA   PRO  37           HA       PRO  37   4.174   4.425  11.286
  298   1HB   PRO  37          2HB       PRO  37   5.492   6.392  12.919
  299   2HB   PRO  37          1HB       PRO  37   5.719   6.080  11.196
  300   1HG   PRO  37          2HG       PRO  37   4.426   8.331  12.424
  301   2HG   PRO  37          1HG       PRO  37   4.646   8.015  10.701
  302   1HD   PRO  37          2HD       PRO  37   2.200   7.875  12.234
  303   2HD   PRO  37          1HD       PRO  37   2.420   7.570  10.495
  304    H    ILE  38           HN       ILE  38   2.612   5.903  14.067
  305    HA   ILE  38           HA       ILE  38   3.605   3.639  15.767
  306    HB   ILE  38           HB       ILE  38   2.965   6.426  16.746
  307   1HG1  ILE  38          2HG1      ILE  38   4.659   6.752  15.053
  308   2HG1  ILE  38          1HG1      ILE  38   5.457   6.819  16.623
  309   1HG2  ILE  38          1HG2      ILE  38   3.155   4.589  18.399
  310   2HG2  ILE  38          3HG2      ILE  38   4.770   4.223  17.791
  311   3HG2  ILE  38          2HG2      ILE  38   4.456   5.765  18.586
  312   1HD1  ILE  38          1HD1      ILE  38   5.407   4.088  15.826
  313   2HD1  ILE  38          3HD1      ILE  38   5.964   5.024  14.439
  314   3HD1  ILE  38          2HD1      ILE  38   6.813   5.141  15.980
  315    HA   PRO  39           HA       PRO  39  -0.817   2.935  15.964
  316   1HB   PRO  39          2HB       PRO  39  -0.315   1.057  18.086
  317   2HB   PRO  39          1HB       PRO  39  -0.697   0.714  16.396
  318   1HG   PRO  39          2HG       PRO  39   1.822   0.385  17.737
  319   2HG   PRO  39          1HG       PRO  39   1.440   0.045  16.049
  320   1HD   PRO  39          2HD       PRO  39   3.040   2.206  17.101
  321   2HD   PRO  39          1HD       PRO  39   2.657   1.861  15.399
  322    H    GLY  40           HN       GLY  40  -2.365   3.879  17.301
  323   1HA   GLY  40          1HA       GLY  40  -1.951   5.812  19.152
  324   2HA   GLY  40          2HA       GLY  40  -1.773   4.366  20.145
  325    H    GLU  41           HN       GLU  41  -3.801   3.068  18.189
  326    HA   GLU  41           HA       GLU  41  -6.242   4.265  19.462
  327   1HB   GLU  41          2HB       GLU  41  -5.500   4.161  16.767
  328   2HB   GLU  41          1HB       GLU  41  -6.663   2.846  16.946
  329   1HG   GLU  41          2HG       GLU  41  -7.364   5.416  18.268
  330   2HG   GLU  41          1HG       GLU  41  -7.411   5.405  16.505
  331    HA   PRO  42           HA       PRO  42  -5.682  -0.219  20.666
  332   1HB   PRO  42          2HB       PRO  42  -6.802   0.565  23.197
  333   2HB   PRO  42          1HB       PRO  42  -5.154   0.035  22.855
  334   1HG   PRO  42          2HG       PRO  42  -6.056   2.683  23.503
  335   2HG   PRO  42          1HG       PRO  42  -4.409   2.155  23.154
  336   1HD   PRO  42          2HD       PRO  42  -6.150   3.755  21.493
  337   2HD   PRO  42          1HD       PRO  42  -4.485   3.232  21.146
  338    H    VAL  43           HN       VAL  43  -7.418  -1.718  20.742
  339    HA   VAL  43           HA       VAL  43 -10.173  -0.530  20.669
  340    HB   VAL  43           HB       VAL  43 -10.672  -2.182  18.953
  341   1HG1  VAL  43          1HG1      VAL  43  -8.616  -0.187  18.706
  342   2HG1  VAL  43          3HG1      VAL  43  -8.229  -1.544  17.650
  343   3HG1  VAL  43          2HG1      VAL  43  -9.780  -0.719  17.493
  344   1HG2  VAL  43          2HG2      VAL  43  -8.507  -3.564  20.161
  345   2HG2  VAL  43          1HG2      VAL  43  -9.540  -4.124  18.846
  346   3HG2  VAL  43          3HG2      VAL  43  -8.046  -3.259  18.486
  347    H    VAL  44           HN       VAL  44 -11.860  -2.311  21.138
  348    HA   VAL  44           HA       VAL  44 -12.721  -3.994  22.556
  349    HB   VAL  44           HB       VAL  44  -9.845  -4.805  22.996
  350   1HG1  VAL  44          2HG1      VAL  44 -12.509  -6.232  22.849
  351   2HG1  VAL  44          1HG1      VAL  44 -10.967  -7.086  22.828
  352   3HG1  VAL  44          3HG1      VAL  44 -11.420  -6.120  24.232
  353   1HG2  VAL  44          1HG2      VAL  44 -11.267  -4.553  20.475
  354   2HG2  VAL  44          3HG2      VAL  44  -9.584  -4.996  20.763
  355   3HG2  VAL  44          2HG2      VAL  44 -10.840  -6.234  20.796
  356    HA   PRO  45           HA       PRO  45 -10.871  -1.268  26.046
  357   1HB   PRO  45          2HB       PRO  45 -13.408   0.078  26.182
  358   2HB   PRO  45          1HB       PRO  45 -11.839   0.764  25.757
  359   1HG   PRO  45          2HG       PRO  45 -14.072   0.242  24.022
  360   2HG   PRO  45          1HG       PRO  45 -12.507   0.942  23.598
  361   1HD   PRO  45          2HD       PRO  45 -13.503  -1.684  22.941
  362   2HD   PRO  45          1HD       PRO  45 -11.920  -0.982  22.533
  363    H    ILE  46           HN       ILE  46 -14.299  -2.210  25.596
  364    HA   ILE  46           HA       ILE  46 -14.189  -3.596  28.258
  365    HB   ILE  46           HB       ILE  46 -16.486  -2.190  26.849
  366   1HG1  ILE  46          2HG1      ILE  46 -14.943  -1.403  29.339
  367   2HG1  ILE  46          1HG1      ILE  46 -14.706  -0.681  27.748
  368   1HG2  ILE  46          2HG2      ILE  46 -16.341  -4.056  29.099
  369   2HG2  ILE  46          1HG2      ILE  46 -17.114  -2.531  29.534
  370   3HG2  ILE  46          3HG2      ILE  46 -17.749  -3.493  28.199
  371   1HD1  ILE  46          1HD1      ILE  46 -17.274  -0.248  27.818
  372   2HD1  ILE  46          3HD1      ILE  46 -17.111  -0.512  29.554
  373   3HD1  ILE  46          2HD1      ILE  46 -16.222   0.796  28.774
  374    H    LEU  47           HN       LEU  47 -15.361  -3.641  24.925
  375    HA   LEU  47           HA       LEU  47 -15.278  -6.508  24.717
  376   1HB   LEU  47          2HB       LEU  47 -17.206  -6.141  26.301
  377   2HB   LEU  47          1HB       LEU  47 -18.031  -5.264  25.013
  378    HG   LEU  47           HG       LEU  47 -17.755  -7.330  23.569
  379   1HD1  LEU  47          2HD1      LEU  47 -16.862  -8.451  26.239
  380   2HD1  LEU  47          1HD1      LEU  47 -17.387  -9.459  24.891
  381   3HD1  LEU  47          3HD1      LEU  47 -15.955  -8.443  24.726
  382   1HD2  LEU  47          2HD2      LEU  47 -19.499  -6.960  25.910
  383   2HD2  LEU  47          1HD2      LEU  47 -19.921  -7.372  24.248
  384   3HD2  LEU  47          3HD2      LEU  47 -19.393  -8.633  25.362
  385    H    CYS  48           HN       CYS  48 -14.363  -6.080  22.659
  386    HA   CYS  48           HA       CYS  48 -14.316  -5.444  20.380
  387   1HB   CYS  48          2HB       CYS  48 -17.192  -6.216  20.935
  388   2HB   CYS  48          1HB       CYS  48 -16.568  -5.950  19.306
  389    H    SER  49           HN       SER  49 -13.846  -3.216  20.387
  390    HA   SER  49           HA       SER  49 -15.718  -1.157  21.127
  391   1HB   SER  49          2HB       SER  49 -13.210  -1.030  21.074
  392   2HB   SER  49          1HB       SER  49 -13.293  -1.030  19.312
  393    HG   SER  49           HG       SER  49 -13.615   1.021  19.463
  394    H    ASN  50           HN       ASN  50 -14.392  -1.852  17.881
  395    HA   ASN  50           HA       ASN  50 -16.589  -0.442  16.569
  396   1HB   ASN  50          2HB       ASN  50 -14.036  -1.799  15.896
  397   2HB   ASN  50          1HB       ASN  50 -15.241  -1.758  14.609
  398   1HD2  ASN  50          1HD2      ASN  50 -16.462   0.744  15.100
  399   2HD2  ASN  50          2HD2      ASN  50 -15.317   1.979  14.886
  400    HA   PRO  51           HA       PRO  51 -19.120  -4.186  16.759
  401   1HB   PRO  51          2HB       PRO  51 -21.133  -2.701  15.339
  402   2HB   PRO  51          1HB       PRO  51 -21.110  -3.139  17.050
  403   1HG   PRO  51          2HG       PRO  51 -20.752  -0.541  15.906
  404   2HG   PRO  51          1HG       PRO  51 -20.667  -0.988  17.612
  405   1HD   PRO  51          2HD       PRO  51 -18.489  -0.260  15.833
  406   2HD   PRO  51          1HD       PRO  51 -18.420  -0.615  17.574
  407    H    ASN  52           HN       ASN  52 -17.824  -2.430  14.144
  408    HA   ASN  52           HA       ASN  52 -18.596  -4.608  12.241
  409   1HB   ASN  52          2HB       ASN  52 -19.830  -2.429  11.978
  410   2HB   ASN  52          1HB       ASN  52 -18.281  -1.651  11.665
  411   1HD2  ASN  52          1HD2      ASN  52 -19.638  -1.258   9.537
  412   2HD2  ASN  52          2HD2      ASN  52 -19.422  -2.407   8.305
  413    H    PHE  53           HN       PHE  53 -16.148  -4.193  13.910
  414    HA   PHE  53           HA       PHE  53 -14.023  -3.276  12.115
  415   1HB   PHE  53          2HB       PHE  53 -12.667  -3.628  13.990
  416   2HB   PHE  53          1HB       PHE  53 -14.239  -3.424  14.762
  417    HD1  PHE  53           HD1      PHE  53 -15.660  -5.841  14.535
  418    HD2  PHE  53           HD2      PHE  53 -11.415  -5.337  14.969
  419    HE1  PHE  53           HE1      PHE  53 -15.488  -8.116  15.504
  420    HE2  PHE  53           HE2      PHE  53 -11.244  -7.619  15.940
  421    HZ   PHE  53           HZ       PHE  53 -13.282  -9.003  16.205
  422    HA   PRO  54           HA       PRO  54 -12.841  -7.019  10.119
  423   1HB   PRO  54          2HB       PRO  54 -10.493  -7.728  11.635
  424   2HB   PRO  54          1HB       PRO  54 -10.571  -6.951  10.051
  425   1HG   PRO  54          2HG       PRO  54  -9.833  -5.763  12.563
  426   2HG   PRO  54          1HG       PRO  54  -9.913  -4.988  10.981
  427   1HD   PRO  54          2HD       PRO  54 -11.685  -4.630  13.220
  428   2HD   PRO  54          1HD       PRO  54 -11.786  -3.854  11.622
  429    H    GLU  55           HN       GLU  55 -14.809  -7.799  11.404
  430    HA   GLU  55           HA       GLU  55 -14.975  -9.140  13.775
  431   1HB   GLU  55          2HB       GLU  55 -16.750  -8.866  12.062
  432   2HB   GLU  55          1HB       GLU  55 -15.996 -10.139  11.099
  433   1HG   GLU  55          2HG       GLU  55 -16.288 -11.712  13.012
  434   2HG   GLU  55          1HG       GLU  55 -17.127 -10.438  13.898
  435    H    GLU  56           HN       GLU  56 -13.269 -10.325  10.899
  436    HA   GLU  56           HA       GLU  56 -12.859 -13.025  11.607
  437   1HB   GLU  56          2HB       GLU  56 -12.152 -11.832   9.507
  438   2HB   GLU  56          1HB       GLU  56 -10.856 -11.067  10.427
  439   1HG   GLU  56          2HG       GLU  56  -9.903 -12.995   9.342
  440   2HG   GLU  56          1HG       GLU  56 -10.065 -13.394  11.052
  441    H    LEU  57           HN       LEU  57 -11.608 -10.092  12.985
  442    HA   LEU  57           HA       LEU  57  -9.479 -11.394  14.547
  443   1HB   LEU  57          2HB       LEU  57 -10.705  -8.618  14.492
  444   2HB   LEU  57          1HB       LEU  57  -9.322  -9.055  15.493
  445    HG   LEU  57           HG       LEU  57  -9.377  -9.433  12.487
  446   1HD1  LEU  57          1HD1      LEU  57  -9.350  -6.994  13.841
  447   2HD1  LEU  57          3HD1      LEU  57  -7.647  -7.322  13.521
  448   3HD1  LEU  57          2HD1      LEU  57  -8.800  -7.268  12.188
  449   1HD2  LEU  57          3HD2      LEU  57  -7.772 -10.781  13.913
  450   2HD2  LEU  57          2HD2      LEU  57  -6.999  -9.734  12.722
  451   3HD2  LEU  57          1HD2      LEU  57  -7.050  -9.253  14.417
  452    H    LYS  58           HN       LYS  58 -12.659 -11.763  14.797
  453    HA   LYS  58           HA       LYS  58 -13.732 -10.946  17.171
  454   1HB   LYS  58          2HB       LYS  58 -13.804 -13.349  15.489
  455   2HB   LYS  58          1HB       LYS  58 -14.260 -13.670  17.163
  456   1HG   LYS  58          2HG       LYS  58 -15.472 -11.204  16.288
  457   2HG   LYS  58          1HG       LYS  58 -15.857 -12.488  15.143
  458   1HD   LYS  58          2HD       LYS  58 -16.101 -13.650  17.701
  459   2HD   LYS  58          1HD       LYS  58 -16.880 -12.071  17.819
  460   1HE   LYS  58          2HE       LYS  58 -18.487 -12.600  16.205
  461   2HE   LYS  58          1HE       LYS  58 -17.454 -13.816  15.432
  462   1HZ   LYS  58          2HZ       LYS  58 -17.573 -14.936  17.750
  463   2HZ   LYS  58          1HZ       LYS  58 -18.975 -13.997  17.955
  464   3HZ   LYS  58          3HZ       LYS  58 -18.883 -15.116  16.684
  465    HA   PRO  59           HA       PRO  59 -11.278 -14.409  19.591
  466   1HB   PRO  59          2HB       PRO  59  -8.811 -14.718  18.135
  467   2HB   PRO  59          1HB       PRO  59 -10.029 -15.946  18.489
  468   1HG   PRO  59          2HG       PRO  59  -9.474 -14.650  15.967
  469   2HG   PRO  59          1HG       PRO  59 -10.627 -15.943  16.301
  470   1HD   PRO  59          2HD       PRO  59 -11.222 -13.221  15.683
  471   2HD   PRO  59          1HD       PRO  59 -12.376 -14.478  16.179
  472    H    LEU  60           HN       LEU  60  -9.324 -12.082  17.662
  473    HA   LEU  60           HA       LEU  60  -7.455 -11.328  19.620
  474   1HB   LEU  60          2HB       LEU  60  -8.845  -9.969  17.319
  475   2HB   LEU  60          1HB       LEU  60  -7.696  -9.067  18.306
  476    HG   LEU  60           HG       LEU  60  -6.768 -10.257  16.216
  477   1HD1  LEU  60          3HD1      LEU  60  -5.523  -9.428  18.342
  478   2HD1  LEU  60          2HD1      LEU  60  -5.431 -11.137  18.766
  479   3HD1  LEU  60          1HD1      LEU  60  -4.689 -10.558  17.275
  480   1HD2  LEU  60          2HD2      LEU  60  -7.199 -12.622  18.065
  481   2HD2  LEU  60          1HD2      LEU  60  -7.932 -12.384  16.479
  482   3HD2  LEU  60          3HD2      LEU  60  -6.196 -12.656  16.616
  483    H    CYS  61           HN       CYS  61 -10.753 -10.031  19.063
  484    HA   CYS  61           HA       CYS  61 -10.637  -8.065  21.167
  485   1HB   CYS  61          2HB       CYS  61 -12.231  -7.778  19.445
  486   2HB   CYS  61          1HB       CYS  61 -12.774  -9.452  19.550
  487    H    LYS  62           HN       LYS  62 -11.467 -11.494  21.080
  488    HA   LYS  62           HA       LYS  62 -12.708 -11.508  23.727
  489   1HB   LYS  62          2HB       LYS  62 -11.711 -13.640  21.816
  490   2HB   LYS  62          1HB       LYS  62 -12.582 -13.997  23.307
  491   1HG   LYS  62          2HG       LYS  62 -14.453 -12.534  22.488
  492   2HG   LYS  62          1HG       LYS  62 -13.596 -12.374  20.954
  493   1HD   LYS  62          2HD       LYS  62 -13.628 -14.868  20.734
  494   2HD   LYS  62          1HD       LYS  62 -14.609 -14.948  22.198
  495   1HE   LYS  62          2HE       LYS  62 -16.476 -13.997  21.154
  496   2HE   LYS  62          1HE       LYS  62 -15.492 -13.182  19.922
  497   1HZ   LYS  62          1HZ       LYS  62 -15.248 -16.077  20.051
  498   2HZ   LYS  62          3HZ       LYS  62 -16.745 -15.503  19.498
  499   3HZ   LYS  62          2HZ       LYS  62 -15.316 -15.055  18.695
  500    H    GLU  63           HN       GLU  63  -9.556 -11.030  22.858
  501    HA   GLU  63           HA       GLU  63  -8.562 -12.437  25.316
  502   1HB   GLU  63          2HB       GLU  63  -6.399 -12.614  23.988
  503   2HB   GLU  63          1HB       GLU  63  -7.736 -13.574  23.358
  504   1HG   GLU  63          2HG       GLU  63  -8.258 -11.743  21.756
  505   2HG   GLU  63          1HG       GLU  63  -6.864 -10.845  22.356
  506    HA   PRO  64           HA       PRO  64  -7.386  -8.411  26.688
  507   1HB   PRO  64          2HB       PRO  64  -5.145  -9.495  28.132
  508   2HB   PRO  64          1HB       PRO  64  -6.718  -9.009  28.768
  509   1HG   PRO  64          2HG       PRO  64  -5.692 -11.671  28.450
  510   2HG   PRO  64          1HG       PRO  64  -7.268 -11.185  29.081
  511   1HD   PRO  64          2HD       PRO  64  -6.682 -12.433  26.542
  512   2HD   PRO  64          1HD       PRO  64  -8.270 -11.947  27.180
  513    H    ASN  65           HN       ASN  65  -5.426 -10.490  24.795
  514    HA   ASN  65           HA       ASN  65  -3.079  -8.749  24.630
  515   1HB   ASN  65          2HB       ASN  65  -4.086 -11.101  22.994
  516   2HB   ASN  65          1HB       ASN  65  -2.480 -10.388  22.833
  517   1HD2  ASN  65          1HD2      ASN  65  -2.819 -13.121  23.647
  518   2HD2  ASN  65          2HD2      ASN  65  -2.313 -13.263  25.260
  519    H    ALA  66           HN       ALA  66  -6.197  -8.833  23.166
  520    HA   ALA  66           HA       ALA  66  -5.842  -7.899  20.562
  521   1HB   ALA  66          2HB       ALA  66  -7.869  -8.049  22.531
  522   2HB   ALA  66          3HB       ALA  66  -8.082  -7.730  20.809
  523   3HB   ALA  66          1HB       ALA  66  -7.889  -6.389  21.937
  524    H    GLN  67           HN       GLN  67  -5.541  -6.076  23.599
  525    HA   GLN  67           HA       GLN  67  -5.328  -3.456  22.479
  526   1HB   GLN  67          2HB       GLN  67  -5.672  -4.084  24.877
  527   2HB   GLN  67          1HB       GLN  67  -3.997  -4.637  24.940
  528   1HG   GLN  67          2HG       GLN  67  -3.235  -2.365  24.316
  529   2HG   GLN  67          1HG       GLN  67  -4.912  -1.817  24.290
  530   1HE2  GLN  67          1HE2      GLN  67  -3.214  -0.531  26.079
  531   2HE2  GLN  67          2HE2      GLN  67  -3.557  -1.016  27.668
  532    H    GLU  68           HN       GLU  68  -2.855  -5.945  23.152
  533    HA   GLU  68           HA       GLU  68  -0.660  -4.257  22.192
  534   1HB   GLU  68          2HB       GLU  68  -0.460  -5.981  23.977
  535   2HB   GLU  68          1HB       GLU  68  -0.851  -7.228  22.793
  536   1HG   GLU  68          2HG       GLU  68   1.551  -7.160  22.993
  537   2HG   GLU  68          1HG       GLU  68   1.136  -6.434  21.441
  538    H    ILE  69           HN       ILE  69  -2.543  -7.023  20.966
  539    HA   ILE  69           HA       ILE  69  -1.084  -7.400  18.526
  540    HB   ILE  69           HB       ILE  69  -3.999  -7.892  19.221
  541   1HG1  ILE  69          2HG1      ILE  69  -1.632  -9.777  19.389
  542   2HG1  ILE  69          1HG1      ILE  69  -2.289  -8.906  20.774
  543   1HG2  ILE  69          1HG2      ILE  69  -2.494  -8.269  16.801
  544   2HG2  ILE  69          3HG2      ILE  69  -2.927  -9.845  17.461
  545   3HG2  ILE  69          2HG2      ILE  69  -4.185  -8.659  17.115
  546   1HD1  ILE  69          2HD1      ILE  69  -4.571  -9.937  20.034
  547   2HD1  ILE  69          1HD1      ILE  69  -3.576 -11.075  19.126
  548   3HD1  ILE  69          3HD1      ILE  69  -3.416 -10.967  20.879
  549    H    LEU  70           HN       LEU  70  -3.930  -5.408  19.327
  550    HA   LEU  70           HA       LEU  70  -4.649  -4.497  16.770
  551   1HB   LEU  70          2HB       LEU  70  -5.955  -4.013  18.734
  552   2HB   LEU  70          1HB       LEU  70  -4.606  -3.169  19.493
  553    HG   LEU  70           HG       LEU  70  -6.503  -1.775  18.332
  554   1HD1  LEU  70          1HD1      LEU  70  -3.794  -1.341  18.897
  555   2HD1  LEU  70          3HD1      LEU  70  -4.010  -0.733  17.256
  556   3HD1  LEU  70          2HD1      LEU  70  -5.007  -0.104  18.567
  557   1HD2  LEU  70          3HD2      LEU  70  -6.101  -3.255  16.203
  558   2HD2  LEU  70          2HD2      LEU  70  -6.389  -1.526  16.006
  559   3HD2  LEU  70          1HD2      LEU  70  -4.747  -2.164  15.924
  560    H    GLN  71           HN       GLN  71  -2.378  -2.859  19.034
  561    HA   GLN  71           HA       GLN  71  -1.530  -0.764  17.380
  562   1HB   GLN  71          2HB       GLN  71   0.027  -2.498  19.322
  563   2HB   GLN  71          1HB       GLN  71   0.567  -0.923  18.741
  564   1HG   GLN  71          2HG       GLN  71  -1.437   0.132  19.698
  565   2HG   GLN  71          1HG       GLN  71  -2.019  -1.442  20.244
  566   1HE2  GLN  71          1HE2      GLN  71  -1.491   0.678  22.107
  567   2HE2  GLN  71          2HE2      GLN  71  -0.160   0.231  23.060
  568    H    ARG  72           HN       ARG  72   0.069  -3.963  17.675
  569    HA   ARG  72           HA       ARG  72   2.009  -3.663  15.667
  570   1HB   ARG  72          2HB       ARG  72   0.363  -6.049  16.561
  571   2HB   ARG  72          1HB       ARG  72   1.802  -6.182  15.549
  572   1HG   ARG  72          2HG       ARG  72   3.028  -4.867  17.371
  573   2HG   ARG  72          1HG       ARG  72   1.615  -5.152  18.388
  574   1HD   ARG  72          2HD       ARG  72   3.287  -7.322  17.063
  575   2HD   ARG  72          1HD       ARG  72   3.315  -6.900  18.786
  576    HE   ARG  72           HE       ARG  72   0.612  -7.393  17.858
  577   1HH1  ARG  72          1HH1      ARG  72   2.598  -9.709  17.091
  578   2HH1  ARG  72          2HH1      ARG  72   2.274 -10.802  18.395
  579   1HH2  ARG  72          1HH2      ARG  72   0.599  -8.445  20.308
  580   2HH2  ARG  72          2HH2      ARG  72   1.143 -10.087  20.216
  581    H    LEU  73           HN       LEU  73  -1.213  -5.195  15.255
  582    HA   LEU  73           HA       LEU  73  -1.213  -5.621  12.507
  583   1HB   LEU  73          2HB       LEU  73  -3.398  -4.599  14.350
  584   2HB   LEU  73          1HB       LEU  73  -3.698  -5.240  12.734
  585    HG   LEU  73           HG       LEU  73  -2.475  -6.712  15.084
  586   1HD1  LEU  73          2HD1      LEU  73  -5.021  -7.060  13.476
  587   2HD1  LEU  73          1HD1      LEU  73  -4.435  -8.228  14.660
  588   3HD1  LEU  73          3HD1      LEU  73  -4.898  -6.606  15.175
  589   1HD2  LEU  73          1HD2      LEU  73  -2.716  -7.454  12.161
  590   2HD2  LEU  73          3HD2      LEU  73  -1.259  -7.432  13.155
  591   3HD2  LEU  73          2HD2      LEU  73  -2.496  -8.657  13.432
  592    H    GLU  74           HN       GLU  74  -2.197  -2.589  14.159
  593    HA   GLU  74           HA       GLU  74  -2.817  -1.043  11.888
  594   1HB   GLU  74          2HB       GLU  74  -1.462  -0.260  14.490
  595   2HB   GLU  74          1HB       GLU  74  -2.273   0.861  13.396
  596   1HG   GLU  74          2HG       GLU  74  -3.604  -1.518  14.720
  597   2HG   GLU  74          1HG       GLU  74  -3.735   0.144  15.289
  598    H    GLU  75           HN       GLU  75   0.368  -1.346  13.538
  599    HA   GLU  75           HA       GLU  75   1.869   0.353  11.863
  600   1HB   GLU  75          2HB       GLU  75   2.529  -0.721  14.029
  601   2HB   GLU  75          1HB       GLU  75   2.712  -2.251  13.172
  602   1HG   GLU  75          2HG       GLU  75   4.395  -1.185  11.683
  603   2HG   GLU  75          1HG       GLU  75   4.245   0.306  12.611
  604    H    ILE  76           HN       ILE  76   1.597  -3.226  11.586
  605    HA   ILE  76           HA       ILE  76   3.012  -3.487   9.141
  606    HB   ILE  76           HB       ILE  76   0.655  -5.056  10.243
  607   1HG1  ILE  76          2HG1      ILE  76   2.418  -4.950  11.885
  608   2HG1  ILE  76          1HG1      ILE  76   2.522  -6.532  11.113
  609   1HG2  ILE  76          3HG2      ILE  76   2.574  -5.496   7.991
  610   2HG2  ILE  76          2HG2      ILE  76   2.094  -6.894   8.954
  611   3HG2  ILE  76          1HG2      ILE  76   0.871  -5.940   8.115
  612   1HD1  ILE  76          2HD1      ILE  76   4.130  -5.150   9.455
  613   2HD1  ILE  76          1HD1      ILE  76   4.369  -4.202  10.923
  614   3HD1  ILE  76          3HD1      ILE  76   4.732  -5.928  10.919
  615    H    ALA  77           HN       ALA  77  -0.373  -2.711   9.794
  616    HA   ALA  77           HA       ALA  77  -1.411  -2.888   7.141
  617   1HB   ALA  77          3HB       ALA  77  -2.692  -2.611   9.274
  618   2HB   ALA  77          2HB       ALA  77  -2.108  -0.950   9.374
  619   3HB   ALA  77          1HB       ALA  77  -3.167  -1.433   8.049
  620    H    GLU  78           HN       GLU  78   0.512  -0.437   8.770
  621    HA   GLU  78           HA       GLU  78   0.127   1.745   6.969
  622   1HB   GLU  78          2HB       GLU  78   1.168   1.884   9.197
  623   2HB   GLU  78          1HB       GLU  78   2.517   0.894   8.638
  624   1HG   GLU  78          2HG       GLU  78   3.048   2.629   6.934
  625   2HG   GLU  78          1HG       GLU  78   1.742   3.627   7.572
  626    H    ASP  79           HN       ASP  79   2.489  -0.946   6.933
  627    HA   ASP  79           HA       ASP  79   2.903  -0.442   4.026
  628   1HB   ASP  79          2HB       ASP  79   5.417  -0.651   4.542
  629   2HB   ASP  79          1HB       ASP  79   4.641   0.861   5.009
  630    HA   PRO  80           HA       PRO  80   2.978  -4.813   3.704
  631   1HB   PRO  80          2HB       PRO  80   5.200  -4.851   1.880
  632   2HB   PRO  80          1HB       PRO  80   3.480  -4.967   1.501
  633   1HG   PRO  80          2HG       PRO  80   5.242  -2.759   1.004
  634   2HG   PRO  80          1HG       PRO  80   3.518  -2.869   0.647
  635   1HD   PRO  80          2HD       PRO  80   4.815  -1.304   2.707
  636   2HD   PRO  80          1HD       PRO  80   3.081  -1.384   2.319
  637    H    GLY  81           HN       GLY  81   6.375  -3.616   3.545
  638   1HA   GLY  81          1HA       GLY  81   7.057  -4.999   6.021
  639   2HA   GLY  81          2HA       GLY  81   8.183  -4.132   4.974
  640    H    THR  82           HN       THR  82   8.153  -6.959   6.202
  641    HA   THR  82           HA       THR  82   9.333  -8.301   3.888
  642    HB   THR  82           HB       THR  82   9.774 -10.050   5.573
  643    HG1  THR  82          1HG       THR  82   7.737  -8.670   6.852
  644   1HG2  THR  82          1HG2      THR  82  10.123  -7.235   6.642
  645   2HG2  THR  82          3HG2      THR  82  11.000  -8.655   7.214
  646   3HG2  THR  82          2HG2      THR  82  11.233  -8.081   5.563
  647    H    CYS  83           HN       CYS  83   6.236  -8.222   5.461
  648    HA   CYS  83           HA       CYS  83   5.113 -10.723   4.848
  649   1HB   CYS  83          2HB       CYS  83   4.057  -8.895   6.146
  650   2HB   CYS  83          1HB       CYS  83   3.875  -7.955   4.665
  651    H    GLU  84           HN       GLU  84   5.056  -7.792   2.788
  652    HA   GLU  84           HA       GLU  84   3.814  -8.923   0.517
  653   1HB   GLU  84          2HB       GLU  84   4.253  -6.520   0.995
  654   2HB   GLU  84          1HB       GLU  84   5.965  -6.791   0.677
  655   1HG   GLU  84          2HG       GLU  84   5.368  -7.580  -1.619
  656   2HG   GLU  84          1HG       GLU  84   3.685  -7.169  -1.289
  657    H    ILE  85           HN       ILE  85   7.246  -8.994   1.484
  658    HA   ILE  85           HA       ILE  85   7.951 -10.351  -1.062
  659    HB   ILE  85           HB       ILE  85  10.226  -9.942  -0.329
  660   1HG1  ILE  85          2HG1      ILE  85   8.916  -9.342   2.329
  661   2HG1  ILE  85          1HG1      ILE  85  10.122 -10.579   1.982
  662   1HG2  ILE  85          1HG2      ILE  85   8.429  -7.618   0.432
  663   2HG2  ILE  85          3HG2      ILE  85  10.144  -7.498   0.035
  664   3HG2  ILE  85          2HG2      ILE  85   8.986  -7.993  -1.199
  665   1HD1  ILE  85          3HD1      ILE  85  11.433  -8.344   1.135
  666   2HD1  ILE  85          2HD1      ILE  85  10.466  -7.675   2.450
  667   3HD1  ILE  85          1HD1      ILE  85  11.581  -9.004   2.764
  668    H    CYS  86           HN       CYS  86   6.463 -11.447   1.542
  669    HA   CYS  86           HA       CYS  86   6.335 -13.549   2.611
  670   1HB   CYS  86          2HB       CYS  86   8.134 -14.382   0.318
  671   2HB   CYS  86          1HB       CYS  86   6.971 -15.386   1.184
  672    H    ALA  87           HN       ALA  87   8.892 -11.680   2.842
  673    HA   ALA  87           HA       ALA  87  11.107 -13.404   3.470
  674   1HB   ALA  87          2HB       ALA  87  11.511 -11.160   4.949
  675   2HB   ALA  87          3HB       ALA  87  10.268 -10.579   3.839
  676   3HB   ALA  87          1HB       ALA  87  11.783 -11.226   3.208
  677    H    TYR  88           HN       TYR  88   8.140 -12.897   5.058
  678    HA   TYR  88           HA       TYR  88   9.164 -14.299   7.479
  679   1HB   TYR  88          2HB       TYR  88   9.222 -11.778   7.743
  680   2HB   TYR  88          1HB       TYR  88   7.468 -11.787   7.561
  681    HD1  TYR  88           HD1      TYR  88   9.762 -14.164   9.330
  682    HD2  TYR  88           HD2      TYR  88   6.558 -11.325   9.673
  683    HE1  TYR  88           HE1      TYR  88   9.517 -14.732  11.731
  684    HE2  TYR  88           HE2      TYR  88   6.312 -11.891  12.074
  685    HH   TYR  88           HH       TYR  88   7.055 -14.307  13.476
  686    H    ALA  89           HN       ALA  89   7.267 -15.032   8.856
  687    HA   ALA  89           HA       ALA  89   5.247 -16.297   7.185
  688   1HB   ALA  89          2HB       ALA  89   5.786 -17.623   8.982
  689   2HB   ALA  89          3HB       ALA  89   4.462 -16.738   9.741
  690   3HB   ALA  89          1HB       ALA  89   6.130 -16.242  10.023
  691    H    ALA  90           HN       ALA  90   5.446 -13.160   8.134
  692    HA   ALA  90           HA       ALA  90   2.891 -12.589   9.303
  693   1HB   ALA  90          3HB       ALA  90   5.223 -11.245   8.314
  694   2HB   ALA  90          1HB       ALA  90   3.980 -10.615   9.395
  695   3HB   ALA  90          2HB       ALA  90   3.798 -10.446   7.649
  696    H    CYS  91           HN       CYS  91   3.972 -12.821   5.916
  697    HA   CYS  91           HA       CYS  91   1.214 -12.194   4.981
  698   1HB   CYS  91          2HB       CYS  91   3.874 -11.726   4.089
  699   2HB   CYS  91          1HB       CYS  91   3.107 -12.771   2.896
  700    H    THR  92           HN       THR  92  -0.139 -13.892   4.593
  701    HA   THR  92           HA       THR  92   1.069 -16.573   4.013
  702    HB   THR  92           HB       THR  92  -0.929 -17.463   5.026
  703    HG1  THR  92          1HG       THR  92  -1.841 -14.846   4.598
  704   1HG2  THR  92          3HG2      THR  92   0.880 -16.086   6.426
  705   2HG2  THR  92          2HG2      THR  92  -0.526 -15.081   6.778
  706   3HG2  THR  92          1HG2      THR  92  -0.539 -16.795   7.195
  707    H    GLY  93           HN       GLY  93   0.113 -17.824   2.292
  708   1HA   GLY  93          1HA       GLY  93  -1.789 -16.387   0.512
  709   2HA   GLY  93          2HA       GLY  93  -1.455 -18.118   0.460
  710    H    CYS  94           HN       CYS  94   1.262 -16.016   0.803
  711    HA   CYS  94           HA       CYS  94   1.842 -15.401  -1.920
  712   1HB   CYS  94          2HB       CYS  94   2.889 -14.497   0.199
  713   2HB   CYS  94          1HB       CYS  94   3.779 -16.013   0.332

  No H/Q in entry =         713
  Start of MODEL    8
    1    H1   VAL   1          3H        VAL   1  -2.460 -12.349  -0.218
    2    H2   VAL   1          2H        VAL   1  -1.080 -12.727  -1.136
    3    H3   VAL   1          1H        VAL   1  -1.512 -13.696   0.191
    4    HA   VAL   1           HA       VAL   1   0.108 -12.454   1.195
    5    HB   VAL   1           HB       VAL   1   0.529 -11.330  -0.987
    6   1HG1  VAL   1          3HG1      VAL   1  -2.087 -10.421  -0.653
    7   2HG1  VAL   1          2HG1      VAL   1  -1.103  -8.980  -0.401
    8   3HG1  VAL   1          1HG1      VAL   1  -0.959  -9.896  -1.903
    9   1HG2  VAL   1          1HG2      VAL   1   1.621 -10.555   1.143
   10   2HG2  VAL   1          3HG2      VAL   1   1.460  -9.285  -0.070
   11   3HG2  VAL   1          2HG2      VAL   1   0.348  -9.344   1.297
   12    H    THR   2           HN       THR   2  -1.510 -12.778   2.947
   13    HA   THR   2           HA       THR   2  -2.984 -10.248   3.613
   14    HB   THR   2           HB       THR   2  -3.680 -13.131   4.265
   15    HG1  THR   2          1HG       THR   2  -4.847 -11.332   2.410
   16   1HG2  THR   2          3HG2      THR   2  -4.474 -11.349   5.866
   17   2HG2  THR   2          2HG2      THR   2  -5.362 -10.627   4.523
   18   3HG2  THR   2          1HG2      THR   2  -5.771 -12.249   5.079
   19    H    VAL   3           HN       VAL   3  -3.000  -9.675   5.870
   20    HA   VAL   3           HA       VAL   3  -0.608 -10.524   7.351
   21    HB   VAL   3           HB       VAL   3  -2.885  -8.577   7.812
   22   1HG1  VAL   3          3HG1      VAL   3  -1.057  -9.718   9.732
   23   2HG1  VAL   3          2HG1      VAL   3  -0.716  -7.999   9.534
   24   3HG1  VAL   3          1HG1      VAL   3  -2.333  -8.531   9.995
   25   1HG2  VAL   3          3HG2      VAL   3   0.062  -8.247   7.172
   26   2HG2  VAL   3          2HG2      VAL   3  -1.284  -7.939   6.077
   27   3HG2  VAL   3          1HG2      VAL   3  -1.051  -6.918   7.496
   28    H    GLN   4           HN       GLN   4  -0.749 -12.466   8.448
   29    HA   GLN   4           HA       GLN   4  -3.357 -13.148   9.753
   30   1HB   GLN   4          2HB       GLN   4  -2.476 -14.669   7.997
   31   2HB   GLN   4          1HB       GLN   4  -0.998 -14.876   8.937
   32   1HG   GLN   4          2HG       GLN   4  -2.468 -15.681  10.851
   33   2HG   GLN   4          1HG       GLN   4  -3.804 -15.714   9.701
   34   1HE2  GLN   4          1HE2      GLN   4  -3.994 -17.577   8.422
   35   2HE2  GLN   4          2HE2      GLN   4  -2.798 -18.776   8.287
   36    H    ASP   5           HN       ASP   5  -3.375 -12.960  11.941
   37    HA   ASP   5           HA       ASP   5  -0.903 -12.531  13.457
   38   1HB   ASP   5          2HB       ASP   5  -3.536 -11.778  13.673
   39   2HB   ASP   5          1HB       ASP   5  -3.439 -13.060  14.879
   40    H    GLY   6           HN       GLY   6  -3.563 -14.717  14.332
   41   1HA   GLY   6          1HA       GLY   6  -3.184 -16.703  15.688
   42   2HA   GLY   6          2HA       GLY   6  -1.528 -16.757  15.080
   43    H    ASN   7           HN       ASN   7  -4.335 -18.387  14.878
   44    HA   ASN   7           HA       ASN   7  -3.577 -19.696  12.364
   45   1HB   ASN   7          2HB       ASN   7  -5.876 -20.069  14.312
   46   2HB   ASN   7          1HB       ASN   7  -5.463 -21.188  13.013
   47   1HD2  ASN   7          1HD2      ASN   7  -5.388 -21.828  15.887
   48   2HD2  ASN   7          2HD2      ASN   7  -3.777 -22.207  16.262
   49    H    PHE   8           HN       PHE   8  -5.211 -16.890  12.928
   50    HA   PHE   8           HA       PHE   8  -7.173 -17.353  10.707
   51   1HB   PHE   8          2HB       PHE   8  -7.102 -15.403  13.028
   52   2HB   PHE   8          1HB       PHE   8  -8.347 -15.405  11.778
   53    HD1  PHE   8           HD1      PHE   8  -9.966 -17.238  11.611
   54    HD2  PHE   8           HD2      PHE   8  -6.961 -17.194  14.680
   55    HE1  PHE   8           HE1      PHE   8 -11.183 -19.023  12.828
   56    HE2  PHE   8           HE2      PHE   8  -8.178 -18.980  15.897
   57    HZ   PHE   8           HZ       PHE   8 -10.289 -19.894  14.971
   58    H    SER   9           HN       SER   9  -6.876 -16.163   8.847
   59    HA   SER   9           HA       SER   9  -4.558 -14.353   8.665
   60   1HB   SER   9          2HB       SER   9  -4.945 -14.561   6.312
   61   2HB   SER   9          1HB       SER   9  -5.334 -16.142   6.992
   62    HG   SER   9           HG       SER   9  -6.881 -14.739   5.515
   63    H    PHE  10           HN       PHE  10  -4.715 -12.140   8.781
   64    HA   PHE  10           HA       PHE  10  -7.455 -10.923   8.623
   65   1HB   PHE  10          2HB       PHE  10  -4.992 -10.057  10.171
   66   2HB   PHE  10          1HB       PHE  10  -6.586  -9.307  10.260
   67    HD1  PHE  10           HD1      PHE  10  -8.235 -11.868  10.109
   68    HD2  PHE  10           HD2      PHE  10  -4.781 -10.813  12.435
   69    HE1  PHE  10           HE1      PHE  10  -8.902 -13.508  11.846
   70    HE2  PHE  10           HE2      PHE  10  -5.449 -12.453  14.171
   71    HZ   PHE  10           HZ       PHE  10  -7.509 -13.800  13.877
   72    H    SER  11           HN       SER  11  -7.717  -9.401   7.021
   73    HA   SER  11           HA       SER  11  -5.525  -8.736   5.224
   74   1HB   SER  11          2HB       SER  11  -7.273  -7.595   4.014
   75   2HB   SER  11          1HB       SER  11  -7.992  -9.056   4.692
   76    HG   SER  11           HG       SER  11  -8.386  -6.390   5.358
   77    H    LEU  12           HN       LEU  12  -5.129  -6.332   4.682
   78    HA   LEU  12           HA       LEU  12  -4.608  -4.874   7.218
   79   1HB   LEU  12          2HB       LEU  12  -3.727  -4.422   4.348
   80   2HB   LEU  12          1HB       LEU  12  -3.102  -3.563   5.756
   81    HG   LEU  12           HG       LEU  12  -2.538  -5.919   6.684
   82   1HD1  LEU  12          3HD1      LEU  12  -3.427  -6.489   3.909
   83   2HD1  LEU  12          2HD1      LEU  12  -1.950  -7.301   4.429
   84   3HD1  LEU  12          1HD1      LEU  12  -3.447  -7.529   5.333
   85   1HD2  LEU  12          1HD2      LEU  12  -1.060  -4.059   5.391
   86   2HD2  LEU  12          3HD2      LEU  12  -0.386  -5.583   5.969
   87   3HD2  LEU  12          2HD2      LEU  12  -0.864  -5.414   4.280
   88    H    GLU  13           HN       GLU  13  -6.968  -4.928   4.803
   89    HA   GLU  13           HA       GLU  13  -7.485  -2.101   4.475
   90   1HB   GLU  13          2HB       GLU  13  -9.234  -4.564   4.177
   91   2HB   GLU  13          1HB       GLU  13  -9.634  -2.964   3.553
   92   1HG   GLU  13          2HG       GLU  13  -7.567  -2.999   2.182
   93   2HG   GLU  13          1HG       GLU  13  -7.216  -4.622   2.775
   94    H    SER  14           HN       SER  14  -9.663  -4.450   6.062
   95    HA   SER  14           HA       SER  14 -11.275  -2.736   7.505
   96   1HB   SER  14          2HB       SER  14 -10.083  -5.251   8.687
   97   2HB   SER  14          1HB       SER  14 -11.718  -4.625   8.892
   98    HG   SER  14           HG       SER  14 -11.475  -6.384   7.350
   99    H    VAL  15           HN       VAL  15  -8.179  -4.084   8.743
  100    HA   VAL  15           HA       VAL  15  -8.146  -2.692  11.206
  101    HB   VAL  15           HB       VAL  15  -5.643  -3.056  10.959
  102   1HG1  VAL  15          2HG1      VAL  15  -7.703  -4.806  11.427
  103   2HG1  VAL  15          1HG1      VAL  15  -6.849  -5.611  10.108
  104   3HG1  VAL  15          3HG1      VAL  15  -5.993  -5.211  11.597
  105   1HG2  VAL  15          2HG2      VAL  15  -6.572  -3.558   8.183
  106   2HG2  VAL  15          1HG2      VAL  15  -5.006  -2.993   8.762
  107   3HG2  VAL  15          3HG2      VAL  15  -5.401  -4.710   8.822
  108    H    LYS  16           HN       LYS  16  -6.701  -1.708   8.060
  109    HA   LYS  16           HA       LYS  16  -5.676   0.805   8.884
  110   1HB   LYS  16          2HB       LYS  16  -5.200  -0.141   6.704
  111   2HB   LYS  16          1HB       LYS  16  -6.914  -0.167   6.288
  112   1HG   LYS  16          2HG       LYS  16  -6.937   2.338   6.508
  113   2HG   LYS  16          1HG       LYS  16  -5.189   2.288   6.732
  114   1HD   LYS  16          2HD       LYS  16  -4.836   1.418   4.537
  115   2HD   LYS  16          1HD       LYS  16  -6.549   1.050   4.332
  116   1HE   LYS  16          2HE       LYS  16  -6.774   3.090   3.356
  117   2HE   LYS  16          1HE       LYS  16  -6.426   3.813   4.939
  118   1HZ   LYS  16          1HZ       LYS  16  -4.289   2.792   3.152
  119   2HZ   LYS  16          3HZ       LYS  16  -4.840   4.393   3.059
  120   3HZ   LYS  16          2HZ       LYS  16  -4.130   3.822   4.493
  121    H    LYS  17           HN       LYS  17  -8.874   0.028   7.468
  122    HA   LYS  17           HA       LYS  17  -9.946   2.690   8.055
  123   1HB   LYS  17          2HB       LYS  17 -11.173   0.071   7.126
  124   2HB   LYS  17          1HB       LYS  17 -12.012   1.623   7.137
  125   1HG   LYS  17          2HG       LYS  17 -10.244   2.542   5.630
  126   2HG   LYS  17          1HG       LYS  17  -9.513   0.938   5.558
  127   1HD   LYS  17          2HD       LYS  17 -11.731   0.061   4.725
  128   2HD   LYS  17          1HD       LYS  17 -12.280   1.732   4.611
  129   1HE   LYS  17          2HE       LYS  17 -11.244   1.946   2.607
  130   2HE   LYS  17          1HE       LYS  17  -9.695   1.491   3.343
  131   1HZ   LYS  17          3HZ       LYS  17 -11.776  -0.539   2.812
  132   2HZ   LYS  17          2HZ       LYS  17 -10.713  -0.065   1.574
  133   3HZ   LYS  17          1HZ       LYS  17 -10.105  -0.758   3.001
  134    H    LEU  18           HN       LEU  18  -9.083   0.386  10.143
  135    HA   LEU  18           HA       LEU  18 -11.424  -0.255  11.653
  136   1HB   LEU  18          2HB       LEU  18  -9.189  -1.356  11.730
  137   2HB   LEU  18          1HB       LEU  18  -8.518   0.095  12.472
  138    HG   LEU  18           HG       LEU  18  -9.928  -0.177  14.423
  139   1HD1  LEU  18          1HD1      LEU  18 -11.296  -2.142  12.640
  140   2HD1  LEU  18          3HD1      LEU  18 -11.256  -2.502  14.365
  141   3HD1  LEU  18          2HD1      LEU  18 -11.990  -1.003  13.794
  142   1HD2  LEU  18          1HD2      LEU  18  -7.810  -1.631  14.073
  143   2HD2  LEU  18          3HD2      LEU  18  -8.931  -2.119  15.344
  144   3HD2  LEU  18          2HD2      LEU  18  -8.935  -2.961  13.794
  145    H    LYS  19           HN       LYS  19  -9.223   2.526  11.667
  146    HA   LYS  19           HA       LYS  19 -10.075   3.734  14.116
  147   1HB   LYS  19          2HB       LYS  19  -8.064   4.315  12.747
  148   2HB   LYS  19          1HB       LYS  19  -9.129   5.006  11.523
  149   1HG   LYS  19          2HG       LYS  19 -10.028   6.573  13.253
  150   2HG   LYS  19          1HG       LYS  19  -8.852   5.930  14.400
  151   1HD   LYS  19          2HD       LYS  19  -7.040   6.560  12.742
  152   2HD   LYS  19          1HD       LYS  19  -8.281   7.407  11.817
  153   1HE   LYS  19          2HE       LYS  19  -8.387   9.132  13.321
  154   2HE   LYS  19          1HE       LYS  19  -8.218   8.048  14.716
  155   1HZ   LYS  19          3HZ       LYS  19  -5.961   8.324  12.857
  156   2HZ   LYS  19          2HZ       LYS  19  -6.240   9.583  13.965
  157   3HZ   LYS  19          1HZ       LYS  19  -5.947   8.004  14.523
  158    H    ASP  20           HN       ASP  20 -11.267   4.058  10.771
  159    HA   ASP  20           HA       ASP  20 -13.578   5.666  11.778
  160   1HB   ASP  20          2HB       ASP  20 -12.380   5.181   9.031
  161   2HB   ASP  20          1HB       ASP  20 -13.818   6.161   9.316
  162    H    LEU  21           HN       LEU  21 -15.497   4.575  12.002
  163    HA   LEU  21           HA       LEU  21 -15.755   1.861  10.839
  164   1HB   LEU  21          2HB       LEU  21 -16.249   2.589  13.259
  165   2HB   LEU  21          1HB       LEU  21 -17.699   3.353  12.608
  166    HG   LEU  21           HG       LEU  21 -18.281   1.117  11.563
  167   1HD1  LEU  21          1HD1      LEU  21 -15.685   0.501  12.762
  168   2HD1  LEU  21          3HD1      LEU  21 -16.939  -0.638  13.253
  169   3HD1  LEU  21          2HD1      LEU  21 -16.593  -0.390  11.541
  170   1HD2  LEU  21          1HD2      LEU  21 -18.034   1.350  14.574
  171   2HD2  LEU  21          3HD2      LEU  21 -19.414   1.821  13.582
  172   3HD2  LEU  21          2HD2      LEU  21 -18.998   0.116  13.762
  173    H    GLN  22           HN       GLN  22 -16.988   1.475   9.043
  174    HA   GLN  22           HA       GLN  22 -19.023   3.526   8.243
  175   1HB   GLN  22          2HB       GLN  22 -16.961   2.095   6.532
  176   2HB   GLN  22          1HB       GLN  22 -18.224   3.154   5.903
  177   1HG   GLN  22          2HG       GLN  22 -17.315   4.989   7.361
  178   2HG   GLN  22          1HG       GLN  22 -15.979   3.922   7.790
  179   1HE2  GLN  22          1HE2      GLN  22 -16.641   3.033   4.686
  180   2HE2  GLN  22          2HE2      GLN  22 -15.618   4.096   3.848
  181    H    GLU  23           HN       GLU  23 -20.532   2.513   6.507
  182    HA   GLU  23           HA       GLU  23 -22.010   0.378   7.437
  183   1HB   GLU  23          2HB       GLU  23 -21.395   1.522   4.741
  184   2HB   GLU  23          1HB       GLU  23 -22.332   0.029   4.805
  185   1HG   GLU  23          2HG       GLU  23 -24.091   1.476   5.030
  186   2HG   GLU  23          1HG       GLU  23 -23.603   1.464   6.725
  187    HA   PRO  24           HA       PRO  24 -19.687  -3.334   7.098
  188   1HB   PRO  24          2HB       PRO  24 -21.864  -4.829   5.959
  189   2HB   PRO  24          1HB       PRO  24 -21.330  -4.797   7.641
  190   1HG   PRO  24          2HG       PRO  24 -23.714  -3.650   6.532
  191   2HG   PRO  24          1HG       PRO  24 -23.168  -3.597   8.209
  192   1HD   PRO  24          2HD       PRO  24 -23.214  -1.438   6.283
  193   2HD   PRO  24          1HD       PRO  24 -22.698  -1.378   7.984
  194    H    GLN  25           HN       GLN  25 -18.883  -1.838   5.036
  195    HA   GLN  25           HA       GLN  25 -19.256  -3.540   2.591
  196   1HB   GLN  25          2HB       GLN  25 -18.760  -0.562   2.917
  197   2HB   GLN  25          1HB       GLN  25 -18.831  -1.396   1.365
  198   1HG   GLN  25          2HG       GLN  25 -21.137  -2.113   1.847
  199   2HG   GLN  25          1HG       GLN  25 -21.069  -1.305   3.412
  200   1HE2  GLN  25          1HE2      GLN  25 -23.038  -0.491   1.576
  201   2HE2  GLN  25          2HE2      GLN  25 -22.654   1.051   0.976
  202    H    GLU  26           HN       GLU  26 -17.368  -4.357   1.710
  203    HA   GLU  26           HA       GLU  26 -14.770  -3.189   2.636
  204   1HB   GLU  26          2HB       GLU  26 -15.917  -5.922   2.903
  205   2HB   GLU  26          1HB       GLU  26 -14.205  -5.829   2.490
  206   1HG   GLU  26          2HG       GLU  26 -15.558  -4.506   4.862
  207   2HG   GLU  26          1HG       GLU  26 -14.452  -5.878   4.922
  208    HA   PRO  27           HA       PRO  27 -15.159  -3.819  -2.023
  209   1HB   PRO  27          2HB       PRO  27 -14.055  -1.174  -2.267
  210   2HB   PRO  27          1HB       PRO  27 -15.672  -1.721  -2.714
  211   1HG   PRO  27          2HG       PRO  27 -14.927  -0.040  -0.509
  212   2HG   PRO  27          1HG       PRO  27 -16.544  -0.597  -0.948
  213   1HD   PRO  27          2HD       PRO  27 -14.919  -1.440   1.291
  214   2HD   PRO  27          1HD       PRO  27 -16.557  -1.986   0.860
  215    H    ARG  28           HN       ARG  28 -13.304  -4.185  -3.389
  216    HA   ARG  28           HA       ARG  28 -10.686  -4.093  -1.936
  217   1HB   ARG  28          2HB       ARG  28 -11.742  -5.803  -4.212
  218   2HB   ARG  28          1HB       ARG  28 -10.116  -5.935  -3.539
  219   1HG   ARG  28          2HG       ARG  28 -11.140  -6.373  -1.295
  220   2HG   ARG  28          1HG       ARG  28 -12.728  -6.384  -2.063
  221   1HD   ARG  28          2HD       ARG  28 -11.854  -8.217  -3.600
  222   2HD   ARG  28          1HD       ARG  28 -10.431  -8.308  -2.544
  223    HE   ARG  28           HE       ARG  28 -13.245  -8.836  -1.664
  224   1HH1  ARG  28          1HH1      ARG  28 -10.109 -10.002  -1.796
  225   2HH1  ARG  28          2HH1      ARG  28 -10.049 -10.545  -0.152
  226   1HH2  ARG  28          1HH2      ARG  28 -13.064  -9.072   0.722
  227   2HH2  ARG  28          2HH2      ARG  28 -11.722 -10.018   1.273
  228    H    VAL  29           HN       VAL  29  -8.938  -3.054  -2.912
  229    HA   VAL  29           HA       VAL  29  -9.447  -1.765  -5.576
  230    HB   VAL  29           HB       VAL  29  -7.896  -0.729  -3.179
  231   1HG1  VAL  29          1HG1      VAL  29  -7.975   0.034  -5.959
  232   2HG1  VAL  29          3HG1      VAL  29  -8.664   1.325  -4.974
  233   3HG1  VAL  29          2HG1      VAL  29  -7.032   0.743  -4.647
  234   1HG2  VAL  29          1HG2      VAL  29 -10.393  -0.882  -2.873
  235   2HG2  VAL  29          3HG2      VAL  29  -9.767   0.766  -2.814
  236   3HG2  VAL  29          2HG2      VAL  29 -10.575   0.181  -4.268
  237    H    GLY  30           HN       GLY  30  -7.827  -2.063  -7.091
  238   1HA   GLY  30          1HA       GLY  30  -5.802  -2.791  -8.028
  239   2HA   GLY  30          2HA       GLY  30  -5.850  -4.054  -6.797
  240    H    LYS  31           HN       LYS  31  -5.729  -0.608  -6.062
  241    HA   LYS  31           HA       LYS  31  -2.864  -0.456  -5.675
  242   1HB   LYS  31          2HB       LYS  31  -4.498   1.423  -6.109
  243   2HB   LYS  31          1HB       LYS  31  -5.086   1.214  -4.460
  244   1HG   LYS  31          2HG       LYS  31  -2.789   1.627  -3.609
  245   2HG   LYS  31          1HG       LYS  31  -2.240   1.893  -5.264
  246   1HD   LYS  31          2HD       LYS  31  -3.958   3.727  -5.456
  247   2HD   LYS  31          1HD       LYS  31  -4.284   3.528  -3.734
  248   1HE   LYS  31          2HE       LYS  31  -2.339   4.577  -3.130
  249   2HE   LYS  31          1HE       LYS  31  -1.417   3.821  -4.443
  250   1HZ   LYS  31          2HZ       LYS  31  -2.877   5.261  -5.955
  251   2HZ   LYS  31          1HZ       LYS  31  -3.217   6.168  -4.558
  252   3HZ   LYS  31          3HZ       LYS  31  -1.620   6.034  -5.114
  253    H    LEU  32           HN       LEU  32  -1.682  -0.718  -3.754
  254    HA   LEU  32           HA       LEU  32  -2.962  -2.315  -1.634
  255   1HB   LEU  32          2HB       LEU  32  -0.722  -2.805  -2.629
  256   2HB   LEU  32          1HB       LEU  32  -0.128  -1.279  -1.974
  257    HG   LEU  32           HG       LEU  32  -0.884  -2.121   0.315
  258   1HD1  LEU  32          1HD1      LEU  32  -2.377  -3.903  -0.625
  259   2HD1  LEU  32          3HD1      LEU  32  -0.937  -4.771  -1.157
  260   3HD1  LEU  32          2HD1      LEU  32  -1.227  -4.515   0.564
  261   1HD2  LEU  32          3HD2      LEU  32   1.269  -3.650  -1.179
  262   2HD2  LEU  32          2HD2      LEU  32   1.477  -2.108  -0.349
  263   3HD2  LEU  32          1HD2      LEU  32   1.123  -3.566   0.576
  264    H    ARG  33           HN       ARG  33  -3.715  -1.431   0.251
  265    HA   ARG  33           HA       ARG  33  -3.577   1.426   0.745
  266   1HB   ARG  33          2HB       ARG  33  -4.485  -0.969   2.376
  267   2HB   ARG  33          1HB       ARG  33  -4.765   0.707   2.848
  268   1HG   ARG  33          2HG       ARG  33  -5.960   1.075   0.687
  269   2HG   ARG  33          1HG       ARG  33  -5.756  -0.638   0.317
  270   1HD   ARG  33          2HD       ARG  33  -6.974  -1.173   2.465
  271   2HD   ARG  33          1HD       ARG  33  -7.319   0.559   2.631
  272    HE   ARG  33           HE       ARG  33  -8.487  -1.248   0.626
  273   1HH1  ARG  33          1HH1      ARG  33  -7.583   1.978   1.441
  274   2HH1  ARG  33          2HH1      ARG  33  -8.816   2.710   0.471
  275   1HH2  ARG  33          1HH2      ARG  33 -10.145  -0.310  -0.594
  276   2HH2  ARG  33          2HH2      ARG  33 -10.267   1.416  -0.681
  277    H    ASN  34           HN       ASN  34  -2.163   2.526   2.106
  278    HA   ASN  34           HA       ASN  34  -0.492   1.044   4.039
  279   1HB   ASN  34          2HB       ASN  34   1.576   1.542   2.947
  280   2HB   ASN  34          1HB       ASN  34   0.517   0.917   1.683
  281   1HD2  ASN  34          1HD2      ASN  34   2.711   2.644   1.044
  282   2HD2  ASN  34          2HD2      ASN  34   2.087   4.122   0.488
  283    H    PHE  35           HN       PHE  35  -2.452   3.472   3.711
  284    HA   PHE  35           HA       PHE  35  -0.720   5.634   4.797
  285   1HB   PHE  35          2HB       PHE  35  -3.608   5.507   3.871
  286   2HB   PHE  35          1HB       PHE  35  -2.777   6.976   4.372
  287    HD1  PHE  35           HD1      PHE  35  -0.853   7.849   3.050
  288    HD2  PHE  35           HD2      PHE  35  -3.186   4.495   1.729
  289    HE1  PHE  35           HE1      PHE  35   0.084   8.098   0.767
  290    HE2  PHE  35           HE2      PHE  35  -2.250   4.743  -0.554
  291    HZ   PHE  35           HZ       PHE  35  -0.616   6.545  -1.035
  292    H    ALA  36           HN       ALA  36  -1.853   3.071   6.217
  293    HA   ALA  36           HA       ALA  36  -3.798   3.759   8.139
  294   1HB   ALA  36          3HB       ALA  36  -2.468   1.559   7.519
  295   2HB   ALA  36          1HB       ALA  36  -3.122   1.764   9.144
  296   3HB   ALA  36          2HB       ALA  36  -1.413   2.074   8.834
  297    HA   PRO  37           HA       PRO  37  -1.763   6.895  10.527
  298   1HB   PRO  37          2HB       PRO  37  -3.402   6.232  12.796
  299   2HB   PRO  37          1HB       PRO  37  -3.596   7.577  11.670
  300   1HG   PRO  37          2HG       PRO  37  -5.224   5.228  11.898
  301   2HG   PRO  37          1HG       PRO  37  -5.400   6.559  10.751
  302   1HD   PRO  37          2HD       PRO  37  -4.481   3.862  10.232
  303   2HD   PRO  37          1HD       PRO  37  -4.708   5.188   9.067
  304    H    ILE  38           HN       ILE  38  -1.696   6.518  13.445
  305    HA   ILE  38           HA       ILE  38   0.491   4.487  13.571
  306    HB   ILE  38           HB       ILE  38  -0.260   6.981  15.098
  307   1HG1  ILE  38          2HG1      ILE  38   2.391   7.118  14.552
  308   2HG1  ILE  38          1HG1      ILE  38   1.860   6.087  13.223
  309   1HG2  ILE  38          1HG2      ILE  38   0.974   4.615  16.179
  310   2HG2  ILE  38          3HG2      ILE  38   2.160   5.917  16.127
  311   3HG2  ILE  38          2HG2      ILE  38   0.638   6.145  16.986
  312   1HD1  ILE  38          1HD1      ILE  38   0.511   8.702  13.940
  313   2HD1  ILE  38          3HD1      ILE  38   1.786   8.572  12.729
  314   3HD1  ILE  38          2HD1      ILE  38   0.256   7.729  12.492
  315    HA   PRO  39           HA       PRO  39  -2.124   1.816  15.941
  316   1HB   PRO  39          2HB       PRO  39   0.162   0.738  17.312
  317   2HB   PRO  39          1HB       PRO  39  -0.732   0.028  15.967
  318   1HG   PRO  39          2HG       PRO  39   1.901   1.162  15.921
  319   2HG   PRO  39          1HG       PRO  39   0.994   0.480  14.569
  320   1HD   PRO  39          2HD       PRO  39   1.598   3.263  15.089
  321   2HD   PRO  39          1HD       PRO  39   0.725   2.571  13.703
  322    H    GLY  40           HN       GLY  40  -2.225   1.140  18.418
  323   1HA   GLY  40          1HA       GLY  40  -1.363   3.441  20.116
  324   2HA   GLY  40          2HA       GLY  40  -1.700   1.821  20.726
  325    H    GLU  41           HN       GLU  41  -4.050   2.167  18.548
  326    HA   GLU  41           HA       GLU  41  -5.854   3.991  19.973
  327   1HB   GLU  41          2HB       GLU  41  -6.191   2.029  17.681
  328   2HB   GLU  41          1HB       GLU  41  -7.432   3.170  18.200
  329   1HG   GLU  41          2HG       GLU  41  -5.837   5.041  17.785
  330   2HG   GLU  41          1HG       GLU  41  -4.664   3.873  17.176
  331    HA   PRO  42           HA       PRO  42  -7.465   1.065  22.856
  332   1HB   PRO  42          2HB       PRO  42 -10.098   2.212  22.679
  333   2HB   PRO  42          1HB       PRO  42  -8.880   2.473  23.929
  334   1HG   PRO  42          2HG       PRO  42  -9.741   4.309  21.895
  335   2HG   PRO  42          1HG       PRO  42  -8.519   4.569  23.142
  336   1HD   PRO  42          2HD       PRO  42  -8.111   4.194  20.306
  337   2HD   PRO  42          1HD       PRO  42  -6.879   4.466  21.561
  338    H    VAL  43           HN       VAL  43  -8.018  -1.017  22.281
  339    HA   VAL  43           HA       VAL  43 -10.306  -1.418  20.404
  340    HB   VAL  43           HB       VAL  43  -7.520  -2.608  20.198
  341   1HG1  VAL  43          3HG1      VAL  43  -9.516  -4.132  19.641
  342   2HG1  VAL  43          2HG1      VAL  43  -9.833  -3.034  18.298
  343   3HG1  VAL  43          1HG1      VAL  43  -8.308  -3.917  18.374
  344   1HG2  VAL  43          3HG2      VAL  43  -9.092  -0.623  18.540
  345   2HG2  VAL  43          2HG2      VAL  43  -7.520  -0.388  19.304
  346   3HG2  VAL  43          1HG2      VAL  43  -7.673  -1.465  17.916
  347    H    VAL  44           HN       VAL  44 -11.224  -3.588  20.568
  348    HA   VAL  44           HA       VAL  44 -11.915  -5.507  21.749
  349    HB   VAL  44           HB       VAL  44  -9.138  -5.252  22.939
  350   1HG1  VAL  44          2HG1      VAL  44 -11.276  -7.292  22.995
  351   2HG1  VAL  44          1HG1      VAL  44  -9.670  -7.911  22.609
  352   3HG1  VAL  44          3HG1      VAL  44  -9.938  -7.033  24.114
  353   1HG2  VAL  44          2HG2      VAL  44 -10.116  -5.964  20.240
  354   2HG2  VAL  44          1HG2      VAL  44  -8.523  -5.403  20.748
  355   3HG2  VAL  44          3HG2      VAL  44  -8.961  -7.100  20.937
  356    HA   PRO  45           HA       PRO  45 -12.334  -2.618  25.533
  357   1HB   PRO  45          2HB       PRO  45 -15.082  -2.220  24.777
  358   2HB   PRO  45          1HB       PRO  45 -13.795  -1.015  24.857
  359   1HG   PRO  45          2HG       PRO  45 -15.039  -2.108  22.516
  360   2HG   PRO  45          1HG       PRO  45 -13.734  -0.922  22.594
  361   1HD   PRO  45          2HD       PRO  45 -13.574  -3.701  21.794
  362   2HD   PRO  45          1HD       PRO  45 -12.274  -2.489  21.825
  363    H    ILE  46           HN       ILE  46 -15.200  -2.936  26.378
  364    HA   ILE  46           HA       ILE  46 -15.012  -5.466  27.734
  365    HB   ILE  46           HB       ILE  46 -17.410  -3.693  27.149
  366   1HG1  ILE  46          2HG1      ILE  46 -15.704  -2.325  28.137
  367   2HG1  ILE  46          1HG1      ILE  46 -16.813  -2.754  29.441
  368   1HG2  ILE  46          3HG2      ILE  46 -16.980  -6.106  28.765
  369   2HG2  ILE  46          2HG2      ILE  46 -17.664  -4.767  29.687
  370   3HG2  ILE  46          1HG2      ILE  46 -18.490  -5.357  28.246
  371   1HD1  ILE  46          2HD1      ILE  46 -15.119  -4.835  29.631
  372   2HD1  ILE  46          1HD1      ILE  46 -14.008  -3.638  28.966
  373   3HD1  ILE  46          3HD1      ILE  46 -14.844  -3.319  30.486
  374    H    LEU  47           HN       LEU  47 -16.489  -4.424  24.712
  375    HA   LEU  47           HA       LEU  47 -16.911  -7.257  23.939
  376   1HB   LEU  47          2HB       LEU  47 -19.275  -6.777  23.372
  377   2HB   LEU  47          1HB       LEU  47 -18.977  -6.511  25.089
  378    HG   LEU  47           HG       LEU  47 -18.369  -4.074  23.775
  379   1HD1  LEU  47          2HD1      LEU  47 -20.207  -5.532  22.225
  380   2HD1  LEU  47          1HD1      LEU  47 -21.182  -4.375  23.131
  381   3HD1  LEU  47          3HD1      LEU  47 -19.862  -3.807  22.107
  382   1HD2  LEU  47          3HD2      LEU  47 -20.467  -5.112  25.651
  383   2HD2  LEU  47          2HD2      LEU  47 -19.203  -3.917  25.942
  384   3HD2  LEU  47          1HD2      LEU  47 -20.632  -3.480  25.003
  385    H    CYS  48           HN       CYS  48 -15.020  -6.274  22.621
  386    HA   CYS  48           HA       CYS  48 -14.208  -5.459  20.555
  387   1HB   CYS  48          2HB       CYS  48 -17.109  -6.083  19.922
  388   2HB   CYS  48          1HB       CYS  48 -15.865  -5.801  18.703
  389    H    SER  49           HN       SER  49 -13.798  -3.367  19.935
  390    HA   SER  49           HA       SER  49 -15.524  -1.195  20.835
  391   1HB   SER  49          2HB       SER  49 -13.058  -1.095  20.810
  392   2HB   SER  49          1HB       SER  49 -13.068  -1.282  19.055
  393    HG   SER  49           HG       SER  49 -14.307   0.662  18.968
  394    H    ASN  50           HN       ASN  50 -14.198  -1.734  17.577
  395    HA   ASN  50           HA       ASN  50 -16.421  -0.345  16.307
  396   1HB   ASN  50          2HB       ASN  50 -13.842  -1.623  15.612
  397   2HB   ASN  50          1HB       ASN  50 -15.043  -1.624  14.323
  398   1HD2  ASN  50          1HD2      ASN  50 -15.158   0.958  16.701
  399   2HD2  ASN  50          2HD2      ASN  50 -14.556   2.177  15.686
  400    HA   PRO  51           HA       PRO  51 -18.903  -4.128  16.386
  401   1HB   PRO  51          2HB       PRO  51 -20.928  -2.632  14.994
  402   2HB   PRO  51          1HB       PRO  51 -20.910  -3.117  16.691
  403   1HG   PRO  51          2HG       PRO  51 -20.577  -0.483  15.621
  404   2HG   PRO  51          1HG       PRO  51 -20.502  -0.976  17.313
  405   1HD   PRO  51          2HD       PRO  51 -18.317  -0.168  15.586
  406   2HD   PRO  51          1HD       PRO  51 -18.260  -0.583  17.313
  407    H    ASN  52           HN       ASN  52 -17.644  -2.270  13.811
  408    HA   ASN  52           HA       ASN  52 -18.408  -4.409  11.851
  409   1HB   ASN  52          2HB       ASN  52 -18.163  -1.404  11.531
  410   2HB   ASN  52          1HB       ASN  52 -18.367  -2.516  10.178
  411   1HD2  ASN  52          1HD2      ASN  52 -20.357  -0.549  10.739
  412   2HD2  ASN  52          2HD2      ASN  52 -21.758  -1.334  11.287
  413    H    PHE  53           HN       PHE  53 -15.987  -4.147  13.563
  414    HA   PHE  53           HA       PHE  53 -13.804  -3.280  11.800
  415   1HB   PHE  53          2HB       PHE  53 -12.476  -3.690  13.694
  416   2HB   PHE  53          1HB       PHE  53 -14.039  -3.345  14.430
  417    HD1  PHE  53           HD1      PHE  53 -15.600  -5.738  14.116
  418    HD2  PHE  53           HD2      PHE  53 -11.393  -5.368  14.909
  419    HE1  PHE  53           HE1      PHE  53 -15.603  -7.979  15.174
  420    HE2  PHE  53           HE2      PHE  53 -11.396  -7.615  15.971
  421    HZ   PHE  53           HZ       PHE  53 -13.503  -8.916  16.100
  422    HA   PRO  54           HA       PRO  54 -12.755  -7.062   9.825
  423   1HB   PRO  54          2HB       PRO  54 -10.343  -7.727  11.257
  424   2HB   PRO  54          1HB       PRO  54 -10.491  -6.986   9.662
  425   1HG   PRO  54          2HG       PRO  54  -9.654  -5.741  12.112
  426   2HG   PRO  54          1HG       PRO  54  -9.807  -5.001  10.519
  427   1HD   PRO  54          2HD       PRO  54 -11.488  -4.603  12.824
  428   2HD   PRO  54          1HD       PRO  54 -11.656  -3.860  11.217
  429    H    GLU  55           HN       GLU  55 -14.661  -7.847  11.180
  430    HA   GLU  55           HA       GLU  55 -14.728  -9.124  13.590
  431   1HB   GLU  55          2HB       GLU  55 -16.559  -8.931  11.927
  432   2HB   GLU  55          1HB       GLU  55 -15.810 -10.219  10.977
  433   1HG   GLU  55          2HG       GLU  55 -16.006 -11.735  12.953
  434   2HG   GLU  55          1HG       GLU  55 -16.858 -10.452  13.816
  435    H    GLU  56           HN       GLU  56 -12.986 -10.257  10.747
  436    HA   GLU  56           HA       GLU  56 -12.507 -12.956  11.443
  437   1HB   GLU  56          2HB       GLU  56 -10.731 -10.837  10.180
  438   2HB   GLU  56          1HB       GLU  56 -10.374 -12.564  10.150
  439   1HG   GLU  56          2HG       GLU  56 -12.855 -11.245   9.003
  440   2HG   GLU  56          1HG       GLU  56 -11.500 -11.882   8.070
  441    H    LEU  57           HN       LEU  57 -11.547 -10.036  12.990
  442    HA   LEU  57           HA       LEU  57  -9.323 -11.268  14.512
  443   1HB   LEU  57          2HB       LEU  57 -10.630  -8.525  14.589
  444   2HB   LEU  57          1HB       LEU  57  -9.130  -8.964  15.405
  445    HG   LEU  57           HG       LEU  57  -9.591  -9.055  12.408
  446   1HD1  LEU  57          1HD1      LEU  57  -9.365  -6.778  13.667
  447   2HD1  LEU  57          3HD1      LEU  57  -7.678  -7.249  13.876
  448   3HD1  LEU  57          2HD1      LEU  57  -8.348  -7.065  12.255
  449   1HD2  LEU  57          3HD2      LEU  57  -7.253  -9.743  14.191
  450   2HD2  LEU  57          2HD2      LEU  57  -7.992 -10.729  12.929
  451   3HD2  LEU  57          1HD2      LEU  57  -7.027  -9.317  12.494
  452    H    LYS  58           HN       LYS  58 -12.538 -11.622  14.695
  453    HA   LYS  58           HA       LYS  58 -13.626 -10.865  17.082
  454   1HB   LYS  58          2HB       LYS  58 -13.801 -13.102  15.252
  455   2HB   LYS  58          1HB       LYS  58 -14.110 -13.639  16.904
  456   1HG   LYS  58          2HG       LYS  58 -15.421 -11.101  16.381
  457   2HG   LYS  58          1HG       LYS  58 -15.916 -12.316  15.202
  458   1HD   LYS  58          2HD       LYS  58 -15.778 -13.329  17.961
  459   2HD   LYS  58          1HD       LYS  58 -16.975 -12.055  17.733
  460   1HE   LYS  58          2HE       LYS  58 -18.228 -13.943  17.139
  461   2HE   LYS  58          1HE       LYS  58 -17.567 -13.488  15.557
  462   1HZ   LYS  58          2HZ       LYS  58 -15.980 -15.178  17.375
  463   2HZ   LYS  58          1HZ       LYS  58 -17.214 -15.894  16.453
  464   3HZ   LYS  58          3HZ       LYS  58 -15.935 -15.092  15.679
  465    HA   PRO  59           HA       PRO  59 -11.276 -14.477  19.405
  466   1HB   PRO  59          2HB       PRO  59  -8.764 -14.695  18.006
  467   2HB   PRO  59          1HB       PRO  59  -9.981 -15.948  18.262
  468   1HG   PRO  59          2HG       PRO  59  -9.375 -14.494  15.828
  469   2HG   PRO  59          1HG       PRO  59 -10.493 -15.843  16.054
  470   1HD   PRO  59          2HD       PRO  59 -11.180 -13.135  15.547
  471   2HD   PRO  59          1HD       PRO  59 -12.297 -14.437  16.009
  472    H    LEU  60           HN       LEU  60  -9.359 -12.006  17.645
  473    HA   LEU  60           HA       LEU  60  -7.551 -11.328  19.717
  474   1HB   LEU  60          2HB       LEU  60  -7.590 -10.610  17.286
  475   2HB   LEU  60          1HB       LEU  60  -8.874  -9.479  17.711
  476    HG   LEU  60           HG       LEU  60  -6.572  -9.310  19.514
  477   1HD1  LEU  60          2HD1      LEU  60  -5.396  -9.894  17.404
  478   2HD1  LEU  60          1HD1      LEU  60  -6.217  -8.561  16.594
  479   3HD1  LEU  60          3HD1      LEU  60  -5.073  -8.233  17.895
  480   1HD2  LEU  60          3HD2      LEU  60  -8.639  -7.742  19.042
  481   2HD2  LEU  60          2HD2      LEU  60  -7.070  -7.032  19.419
  482   3HD2  LEU  60          1HD2      LEU  60  -7.619  -7.120  17.746
  483    H    CYS  61           HN       CYS  61 -10.886 -10.204  19.087
  484    HA   CYS  61           HA       CYS  61 -10.967  -8.155  21.078
  485   1HB   CYS  61          2HB       CYS  61 -12.557  -8.548  19.182
  486   2HB   CYS  61          1HB       CYS  61 -13.171  -9.964  20.036
  487    H    LYS  62           HN       LYS  62 -11.351 -11.661  21.266
  488    HA   LYS  62           HA       LYS  62 -12.138 -11.430  24.142
  489   1HB   LYS  62          2HB       LYS  62 -12.140 -13.722  22.146
  490   2HB   LYS  62          1HB       LYS  62 -12.715 -13.841  23.810
  491   1HG   LYS  62          2HG       LYS  62 -14.346 -11.999  23.313
  492   2HG   LYS  62          1HG       LYS  62 -13.833 -12.056  21.626
  493   1HD   LYS  62          2HD       LYS  62 -14.459 -14.491  21.589
  494   2HD   LYS  62          1HD       LYS  62 -15.121 -14.296  23.212
  495   1HE   LYS  62          2HE       LYS  62 -16.844 -14.069  21.362
  496   2HE   LYS  62          1HE       LYS  62 -16.728 -12.639  22.405
  497   1HZ   LYS  62          3HZ       LYS  62 -15.001 -12.912  20.025
  498   2HZ   LYS  62          2HZ       LYS  62 -16.585 -12.322  19.860
  499   3HZ   LYS  62          1HZ       LYS  62 -15.468 -11.501  20.842
  500    H    GLU  63           HN       GLU  63  -9.375 -10.955  23.072
  501    HA   GLU  63           HA       GLU  63  -7.967 -13.147  24.552
  502   1HB   GLU  63          2HB       GLU  63  -7.812 -12.177  21.814
  503   2HB   GLU  63          1HB       GLU  63  -6.251 -12.045  22.617
  504   1HG   GLU  63          2HG       GLU  63  -6.985 -14.285  21.401
  505   2HG   GLU  63          1HG       GLU  63  -6.039 -14.326  22.892
  506    HA   PRO  64           HA       PRO  64  -6.401  -9.745  26.941
  507   1HB   PRO  64          2HB       PRO  64  -4.143 -11.347  27.726
  508   2HB   PRO  64          1HB       PRO  64  -5.595 -10.987  28.662
  509   1HG   PRO  64          2HG       PRO  64  -4.850 -13.486  27.482
  510   2HG   PRO  64          1HG       PRO  64  -6.330 -13.112  28.369
  511   1HD   PRO  64          2HD       PRO  64  -6.006 -13.549  25.516
  512   2HD   PRO  64          1HD       PRO  64  -7.510 -13.266  26.423
  513    H    ASN  65           HN       ASN  65  -4.502 -11.593  24.616
  514    HA   ASN  65           HA       ASN  65  -2.281  -9.684  24.541
  515   1HB   ASN  65          2HB       ASN  65  -3.109 -11.942  22.691
  516   2HB   ASN  65          1HB       ASN  65  -1.521 -11.177  22.735
  517   1HD2  ASN  65          1HD2      ASN  65  -0.941 -11.005  25.426
  518   2HD2  ASN  65          2HD2      ASN  65  -0.939 -12.543  26.143
  519    H    ALA  66           HN       ALA  66  -5.421  -9.756  23.171
  520    HA   ALA  66           HA       ALA  66  -5.169  -8.740  20.587
  521   1HB   ALA  66          3HB       ALA  66  -7.155  -9.072  22.459
  522   2HB   ALA  66          1HB       ALA  66  -7.392  -8.331  20.878
  523   3HB   ALA  66          2HB       ALA  66  -7.110  -7.317  22.293
  524    H    GLN  67           HN       GLN  67  -4.774  -6.982  23.659
  525    HA   GLN  67           HA       GLN  67  -4.575  -4.340  22.642
  526   1HB   GLN  67          2HB       GLN  67  -3.241  -5.776  24.959
  527   2HB   GLN  67          1HB       GLN  67  -3.192  -4.026  24.745
  528   1HG   GLN  67          2HG       GLN  67  -5.667  -3.962  24.775
  529   2HG   GLN  67          1HG       GLN  67  -5.703  -5.708  25.016
  530   1HE2  GLN  67          1HE2      GLN  67  -6.859  -4.019  26.970
  531   2HE2  GLN  67          2HE2      GLN  67  -5.907  -4.058  28.375
  532    H    GLU  68           HN       GLU  68  -2.096  -6.886  22.975
  533    HA   GLU  68           HA       GLU  68   0.037  -5.186  21.903
  534   1HB   GLU  68          2HB       GLU  68   0.355  -7.007  23.575
  535   2HB   GLU  68          1HB       GLU  68  -0.156  -8.182  22.364
  536   1HG   GLU  68          2HG       GLU  68   1.720  -7.414  20.898
  537   2HG   GLU  68          1HG       GLU  68   2.261  -6.356  22.201
  538    H    ILE  69           HN       ILE  69  -2.043  -7.821  20.716
  539    HA   ILE  69           HA       ILE  69  -0.819  -8.126  18.138
  540    HB   ILE  69           HB       ILE  69  -3.678  -8.540  19.077
  541   1HG1  ILE  69          2HG1      ILE  69  -1.367 -10.498  18.927
  542   2HG1  ILE  69          1HG1      ILE  69  -1.927  -9.731  20.414
  543   1HG2  ILE  69          1HG2      ILE  69  -2.133  -9.480  16.654
  544   2HG2  ILE  69          3HG2      ILE  69  -3.586 -10.305  17.219
  545   3HG2  ILE  69          2HG2      ILE  69  -3.674  -8.623  16.697
  546   1HD1  ILE  69          2HD1      ILE  69  -4.192 -10.833  19.031
  547   2HD1  ILE  69          1HD1      ILE  69  -2.952 -12.079  19.173
  548   3HD1  ILE  69          3HD1      ILE  69  -3.558 -11.270  20.617
  549    H    LEU  70           HN       LEU  70  -3.729  -6.290  19.141
  550    HA   LEU  70           HA       LEU  70  -4.489  -5.134  16.731
  551   1HB   LEU  70          2HB       LEU  70  -5.661  -4.835  18.855
  552   2HB   LEU  70          1HB       LEU  70  -4.305  -3.915  19.506
  553    HG   LEU  70           HG       LEU  70  -6.339  -2.598  18.560
  554   1HD1  LEU  70          2HD1      LEU  70  -3.771  -1.923  18.971
  555   2HD1  LEU  70          1HD1      LEU  70  -3.829  -1.702  17.222
  556   3HD1  LEU  70          3HD1      LEU  70  -4.931  -0.800  18.262
  557   1HD2  LEU  70          1HD2      LEU  70  -6.387  -3.998  16.452
  558   2HD2  LEU  70          3HD2      LEU  70  -6.355  -2.258  16.170
  559   3HD2  LEU  70          2HD2      LEU  70  -4.884  -3.210  15.973
  560    H    GLN  71           HN       GLN  71  -2.214  -3.598  19.049
  561    HA   GLN  71           HA       GLN  71  -1.371  -1.405  17.580
  562   1HB   GLN  71          2HB       GLN  71  -0.689  -2.240  19.889
  563   2HB   GLN  71          1HB       GLN  71   0.466  -3.294  19.075
  564   1HG   GLN  71          2HG       GLN  71   1.508  -1.316  18.012
  565   2HG   GLN  71          1HG       GLN  71   0.369  -0.270  18.859
  566   1HE2  GLN  71          1HE2      GLN  71   3.033   0.195  19.411
  567   2HE2  GLN  71          2HE2      GLN  71   3.442  -0.395  20.949
  568    H    ARG  72           HN       ARG  72   0.073  -4.682  17.386
  569    HA   ARG  72           HA       ARG  72   1.939  -4.150  15.316
  570   1HB   ARG  72          2HB       ARG  72   0.374  -6.668  15.977
  571   2HB   ARG  72          1HB       ARG  72   1.879  -6.614  15.060
  572   1HG   ARG  72          2HG       ARG  72   1.652  -5.486  17.857
  573   2HG   ARG  72          1HG       ARG  72   2.096  -7.165  17.552
  574   1HD   ARG  72          2HD       ARG  72   3.561  -4.822  16.293
  575   2HD   ARG  72          1HD       ARG  72   4.079  -5.599  17.802
  576    HE   ARG  72           HE       ARG  72   3.591  -7.645  15.885
  577   1HH1  ARG  72          1HH1      ARG  72   5.981  -5.678  17.233
  578   2HH1  ARG  72          2HH1      ARG  72   7.202  -6.082  16.074
  579   1HH2  ARG  72          1HH2      ARG  72   5.049  -7.888  14.042
  580   2HH2  ARG  72          2HH2      ARG  72   6.675  -7.334  14.267
  581    H    LEU  73           HN       LEU  73  -1.297  -5.682  14.988
  582    HA   LEU  73           HA       LEU  73  -1.465  -5.893  12.220
  583   1HB   LEU  73          2HB       LEU  73  -3.606  -4.962  14.166
  584   2HB   LEU  73          1HB       LEU  73  -3.903  -5.687  12.587
  585    HG   LEU  73           HG       LEU  73  -2.554  -7.003  14.962
  586   1HD1  LEU  73          1HD1      LEU  73  -5.174  -7.396  13.504
  587   2HD1  LEU  73          3HD1      LEU  73  -4.484  -8.637  14.549
  588   3HD1  LEU  73          2HD1      LEU  73  -4.925  -7.067  15.219
  589   1HD2  LEU  73          3HD2      LEU  73  -2.854  -7.857  12.076
  590   2HD2  LEU  73          2HD2      LEU  73  -1.376  -7.774  13.035
  591   3HD2  LEU  73          1HD2      LEU  73  -2.580  -9.018  13.376
  592    H    GLU  74           HN       GLU  74  -2.488  -3.029  14.126
  593    HA   GLU  74           HA       GLU  74  -3.150  -1.354  11.945
  594   1HB   GLU  74          2HB       GLU  74  -1.910  -0.622  14.617
  595   2HB   GLU  74          1HB       GLU  74  -2.902   0.429  13.607
  596   1HG   GLU  74          2HG       GLU  74  -4.706  -1.412  13.795
  597   2HG   GLU  74          1HG       GLU  74  -3.738  -2.044  15.125
  598    H    GLU  75           HN       GLU  75   0.009  -1.704  13.637
  599    HA   GLU  75           HA       GLU  75   1.452   0.239  12.169
  600   1HB   GLU  75          2HB       GLU  75   2.139  -0.994  14.239
  601   2HB   GLU  75          1HB       GLU  75   2.387  -2.437  13.256
  602   1HG   GLU  75          2HG       GLU  75   4.035  -1.174  11.877
  603   2HG   GLU  75          1HG       GLU  75   3.830   0.213  12.947
  604    H    ILE  76           HN       ILE  76   1.257  -3.299  11.561
  605    HA   ILE  76           HA       ILE  76   2.707  -3.272   9.100
  606    HB   ILE  76           HB       ILE  76   0.484  -5.077  10.115
  607   1HG1  ILE  76          2HG1      ILE  76   3.504  -5.236  10.359
  608   2HG1  ILE  76          1HG1      ILE  76   2.376  -4.901  11.671
  609   1HG2  ILE  76          3HG2      ILE  76   1.680  -5.015   7.586
  610   2HG2  ILE  76          2HG2      ILE  76   2.541  -6.290   8.448
  611   3HG2  ILE  76          1HG2      ILE  76   0.787  -6.366   8.286
  612   1HD1  ILE  76          3HD1      ILE  76   1.272  -7.166  10.935
  613   2HD1  ILE  76          2HD1      ILE  76   2.835  -7.471  10.180
  614   3HD1  ILE  76          1HD1      ILE  76   2.735  -7.200  11.919
  615    H    ALA  77           HN       ALA  77  -0.693  -2.699   9.865
  616    HA   ALA  77           HA       ALA  77  -1.812  -2.792   7.252
  617   1HB   ALA  77          1HB       ALA  77  -2.823  -2.472   9.652
  618   2HB   ALA  77          3HB       ALA  77  -2.583  -0.753   9.336
  619   3HB   ALA  77          2HB       ALA  77  -3.631  -1.706   8.285
  620    H    GLU  78           HN       GLU  78   0.026  -0.280   8.931
  621    HA   GLU  78           HA       GLU  78  -0.436   1.892   7.140
  622   1HB   GLU  78          2HB       GLU  78   0.612   1.961   9.410
  623   2HB   GLU  78          1HB       GLU  78   2.044   1.179   8.739
  624   1HG   GLU  78          2HG       GLU  78   2.276   3.075   7.131
  625   2HG   GLU  78          1HG       GLU  78   0.908   3.868   7.913
  626    H    ASP  79           HN       ASP  79   2.023  -0.708   7.096
  627    HA   ASP  79           HA       ASP  79   2.445  -0.171   4.198
  628   1HB   ASP  79          2HB       ASP  79   4.180   0.607   6.358
  629   2HB   ASP  79          1HB       ASP  79   4.990  -0.624   5.390
  630    HA   PRO  80           HA       PRO  80   2.582  -4.545   3.851
  631   1HB   PRO  80          2HB       PRO  80   4.835  -4.528   2.061
  632   2HB   PRO  80          1HB       PRO  80   3.124  -4.694   1.656
  633   1HG   PRO  80          2HG       PRO  80   4.843  -2.422   1.221
  634   2HG   PRO  80          1HG       PRO  80   3.147  -2.606   0.772
  635   1HD   PRO  80          2HD       PRO  80   4.236  -0.942   2.845
  636   2HD   PRO  80          1HD       PRO  80   2.520  -1.189   2.447
  637    H    GLY  81           HN       GLY  81   5.980  -3.383   3.631
  638   1HA   GLY  81          1HA       GLY  81   6.665  -4.637   6.179
  639   2HA   GLY  81          2HA       GLY  81   7.790  -3.831   5.085
  640    H    THR  82           HN       THR  82   7.694  -6.608   6.456
  641    HA   THR  82           HA       THR  82   8.869  -8.061   4.198
  642    HB   THR  82           HB       THR  82   9.410  -9.679   5.944
  643    HG1  THR  82          1HG       THR  82   8.515  -9.405   8.013
  644   1HG2  THR  82          3HG2      THR  82  10.453  -7.265   5.839
  645   2HG2  THR  82          2HG2      THR  82   9.610  -7.051   7.373
  646   3HG2  THR  82          1HG2      THR  82  10.821  -8.322   7.201
  647    H    CYS  83           HN       CYS  83   5.780  -7.901   5.788
  648    HA   CYS  83           HA       CYS  83   4.694 -10.460   5.329
  649   1HB   CYS  83          2HB       CYS  83   3.746  -8.356   6.481
  650   2HB   CYS  83          1HB       CYS  83   3.233  -7.851   4.872
  651    H    GLU  84           HN       GLU  84   4.522  -7.626   3.139
  652    HA   GLU  84           HA       GLU  84   3.285  -8.912   0.945
  653   1HB   GLU  84          2HB       GLU  84   3.627  -6.470   1.299
  654   2HB   GLU  84          1HB       GLU  84   5.346  -6.685   0.969
  655   1HG   GLU  84          2HG       GLU  84   4.735  -7.630  -1.275
  656   2HG   GLU  84          1HG       GLU  84   3.051  -7.229  -0.939
  657    H    ILE  85           HN       ILE  85   6.699  -8.882   1.921
  658    HA   ILE  85           HA       ILE  85   7.453 -10.277  -0.597
  659    HB   ILE  85           HB       ILE  85   9.709  -9.751   0.099
  660   1HG1  ILE  85          2HG1      ILE  85   8.417  -9.142   2.765
  661   2HG1  ILE  85          1HG1      ILE  85   9.642 -10.362   2.424
  662   1HG2  ILE  85          1HG2      ILE  85   7.748  -7.532   0.744
  663   2HG2  ILE  85          3HG2      ILE  85   9.484  -7.279   0.564
  664   3HG2  ILE  85          2HG2      ILE  85   8.529  -7.844  -0.806
  665   1HD1  ILE  85          1HD1      ILE  85  10.934  -8.165   1.525
  666   2HD1  ILE  85          3HD1      ILE  85   9.931  -7.424   2.773
  667   3HD1  ILE  85          2HD1      ILE  85  11.049  -8.720   3.196
  668    H    CYS  86           HN       CYS  86   6.013 -11.315   2.067
  669    HA   CYS  86           HA       CYS  86   5.974 -13.363   3.243
  670   1HB   CYS  86          2HB       CYS  86   7.355 -13.937   0.624
  671   2HB   CYS  86          1HB       CYS  86   7.073 -15.225   1.796
  672    H    ALA  87           HN       ALA  87   8.471 -11.460   3.373
  673    HA   ALA  87           HA       ALA  87  10.766 -13.119   3.898
  674   1HB   ALA  87          3HB       ALA  87  11.122 -10.840   5.374
  675   2HB   ALA  87          1HB       ALA  87   9.870 -10.321   4.246
  676   3HB   ALA  87          2HB       ALA  87  11.405 -10.940   3.637
  677    H    TYR  88           HN       TYR  88   7.865 -12.635   5.638
  678    HA   TYR  88           HA       TYR  88   9.006 -14.073   7.980
  679   1HB   TYR  88          2HB       TYR  88   7.795 -11.321   7.889
  680   2HB   TYR  88          1HB       TYR  88   7.606 -12.302   9.342
  681    HD1  TYR  88           HD1      TYR  88  10.162 -10.957   6.976
  682    HD2  TYR  88           HD2      TYR  88   9.373 -12.512  10.900
  683    HE1  TYR  88           HE1      TYR  88  12.465 -10.361   7.673
  684    HE2  TYR  88           HE2      TYR  88  11.677 -11.917  11.598
  685    HH   TYR  88           HH       TYR  88  13.903 -11.545  10.464
  686    H    ALA  89           HN       ALA  89   7.061 -14.581   9.534
  687    HA   ALA  89           HA       ALA  89   5.020 -15.960   7.977
  688   1HB   ALA  89          2HB       ALA  89   5.827 -16.987   9.967
  689   2HB   ALA  89          3HB       ALA  89   4.208 -16.427  10.383
  690   3HB   ALA  89          1HB       ALA  89   5.620 -15.508  10.905
  691    H    ALA  90           HN       ALA  90   5.306 -12.756   8.690
  692    HA   ALA  90           HA       ALA  90   2.782 -11.994   9.782
  693   1HB   ALA  90          3HB       ALA  90   4.873 -10.726   8.023
  694   2HB   ALA  90          2HB       ALA  90   3.400  -9.846   8.427
  695   3HB   ALA  90          1HB       ALA  90   4.491 -10.376   9.708
  696    H    CYS  91           HN       CYS  91   3.763 -12.787   6.468
  697    HA   CYS  91           HA       CYS  91   0.948 -12.266   5.574
  698   1HB   CYS  91          2HB       CYS  91   3.595 -11.664   4.542
  699   2HB   CYS  91          1HB       CYS  91   2.647 -12.564   3.357
  700    H    THR  92           HN       THR  92  -0.217 -14.097   5.178
  701    HA   THR  92           HA       THR  92   1.276 -16.609   4.486
  702    HB   THR  92           HB       THR  92  -0.466 -17.770   5.692
  703    HG1  THR  92          1HG       THR  92  -1.758 -15.329   6.211
  704   1HG2  THR  92          2HG2      THR  92   1.324 -16.319   6.944
  705   2HG2  THR  92          1HG2      THR  92  -0.064 -15.327   7.392
  706   3HG2  THR  92          3HG2      THR  92  -0.009 -17.028   7.857
  707    H    GLY  93           HN       GLY  93   0.088 -18.076   2.998
  708   1HA   GLY  93          1HA       GLY  93  -2.071 -16.804   1.410
  709   2HA   GLY  93          2HA       GLY  93  -1.608 -18.504   1.338
  710    H    CYS  94           HN       CYS  94   0.693 -15.837   1.213
  711    HA   CYS  94           HA       CYS  94   0.926 -15.653  -1.644
  712   1HB   CYS  94          2HB       CYS  94   3.002 -14.458  -1.067
  713   2HB   CYS  94          1HB       CYS  94   1.703 -13.984   0.026

  No H/Q in entry =         713
  Start of MODEL    9
    1    H1   VAL   1          3H        VAL   1  -2.763 -12.047  -0.081
    2    H2   VAL   1          2H        VAL   1  -1.581 -11.080  -0.826
    3    H3   VAL   1          1H        VAL   1  -1.514 -12.771  -0.973
    4    HA   VAL   1           HA       VAL   1  -0.724 -13.084   1.154
    5    HB   VAL   1           HB       VAL   1   1.140 -11.582   1.262
    6   1HG1  VAL   1          1HG1      VAL   1   0.049 -11.740  -1.562
    7   2HG1  VAL   1          3HG1      VAL   1   1.694 -11.237  -1.175
    8   3HG1  VAL   1          2HG1      VAL   1   1.157 -12.871  -0.785
    9   1HG2  VAL   1          2HG2      VAL   1  -0.863  -9.638   0.189
   10   2HG2  VAL   1          1HG2      VAL   1   0.342  -9.421   1.459
   11   3HG2  VAL   1          3HG2      VAL   1   0.831  -9.394  -0.236
   12    H    THR   2           HN       THR   2  -1.524 -12.933   3.220
   13    HA   THR   2           HA       THR   2  -2.641 -10.293   4.107
   14    HB   THR   2           HB       THR   2  -4.310 -12.120   3.480
   15    HG1  THR   2          1HG       THR   2  -5.126 -11.915   5.902
   16   1HG2  THR   2          3HG2      THR   2  -2.570 -13.647   5.104
   17   2HG2  THR   2          2HG2      THR   2  -4.091 -13.518   5.988
   18   3HG2  THR   2          1HG2      THR   2  -4.075 -14.178   4.352
   19    H    VAL   3           HN       VAL   3  -2.667 -10.069   6.482
   20    HA   VAL   3           HA       VAL   3  -0.185 -11.101   7.701
   21    HB   VAL   3           HB       VAL   3  -2.392  -9.294   8.749
   22   1HG1  VAL   3          3HG1      VAL   3  -0.294 -10.526  10.114
   23   2HG1  VAL   3          2HG1      VAL   3   0.313  -8.907   9.770
   24   3HG1  VAL   3          1HG1      VAL   3  -1.197  -9.112  10.658
   25   1HG2  VAL   3          1HG2      VAL   3  -1.227  -8.506   6.655
   26   2HG2  VAL   3          3HG2      VAL   3  -0.998  -7.445   8.045
   27   3HG2  VAL   3          2HG2      VAL   3   0.290  -8.545   7.551
   28    H    GLN   4           HN       GLN   4  -0.267 -13.101   8.687
   29    HA   GLN   4           HA       GLN   4  -2.875 -13.974   9.864
   30   1HB   GLN   4          2HB       GLN   4  -1.928 -15.350   8.070
   31   2HB   GLN   4          1HB       GLN   4  -0.411 -15.495   8.958
   32   1HG   GLN   4          2HG       GLN   4  -1.623 -16.617  10.811
   33   2HG   GLN   4          1HG       GLN   4  -3.120 -16.505   9.884
   34   1HE2  GLN   4          1HE2      GLN   4  -1.067 -18.815  10.720
   35   2HE2  GLN   4          2HE2      GLN   4  -0.964 -19.721   9.288
   36    H    ASP   5           HN       ASP   5  -2.916 -13.554  12.032
   37    HA   ASP   5           HA       ASP   5  -0.414 -13.708  13.629
   38   1HB   ASP   5          2HB       ASP   5  -3.264 -12.823  14.193
   39   2HB   ASP   5          1HB       ASP   5  -1.963 -12.757  15.382
   40    H    GLY   6           HN       GLY   6  -2.601 -15.866  12.520
   41   1HA   GLY   6          1HA       GLY   6  -3.637 -17.318  14.667
   42   2HA   GLY   6          2HA       GLY   6  -1.968 -17.865  14.505
   43    H    ASN   7           HN       ASN   7  -4.530 -19.306  13.933
   44    HA   ASN   7           HA       ASN   7  -3.718 -20.480  11.378
   45   1HB   ASN   7          2HB       ASN   7  -6.041 -20.957  13.272
   46   2HB   ASN   7          1HB       ASN   7  -5.628 -22.002  11.912
   47   1HD2  ASN   7          1HD2      ASN   7  -5.572 -23.008  14.584
   48   2HD2  ASN   7          2HD2      ASN   7  -3.960 -23.328  15.010
   49    H    PHE   8           HN       PHE   8  -5.267 -17.669  11.896
   50    HA   PHE   8           HA       PHE   8  -7.216 -18.095   9.651
   51   1HB   PHE   8          2HB       PHE   8  -7.245 -16.176  12.005
   52   2HB   PHE   8          1HB       PHE   8  -8.477 -16.243  10.745
   53    HD1  PHE   8           HD1      PHE   8  -9.985 -18.178  10.552
   54    HD2  PHE   8           HD2      PHE   8  -7.062 -17.923  13.689
   55    HE1  PHE   8           HE1      PHE   8 -11.133 -20.008  11.770
   56    HE2  PHE   8           HE2      PHE   8  -8.211 -19.752  14.908
   57    HZ   PHE   8           HZ       PHE   8 -10.246 -20.795  13.947
   58    H    SER   9           HN       SER   9  -7.242 -16.498   8.003
   59    HA   SER   9           HA       SER   9  -4.769 -14.894   7.748
   60   1HB   SER   9          2HB       SER   9  -5.321 -16.009   5.770
   61   2HB   SER   9          1HB       SER   9  -7.054 -15.798   6.022
   62    HG   SER   9           HG       SER   9  -6.641 -14.313   4.534
   63    H    PHE  10           HN       PHE  10  -4.762 -12.794   8.473
   64    HA   PHE  10           HA       PHE  10  -7.383 -11.375   8.729
   65   1HB   PHE  10          2HB       PHE  10  -4.663 -10.959  10.011
   66   2HB   PHE  10          1HB       PHE  10  -6.085  -9.975  10.345
   67    HD1  PHE  10           HD1      PHE  10  -4.616 -13.363  10.654
   68    HD2  PHE  10           HD2      PHE  10  -7.880 -10.786  11.728
   69    HE1  PHE  10           HE1      PHE  10  -5.355 -15.009  12.357
   70    HE2  PHE  10           HE2      PHE  10  -8.618 -12.432  13.428
   71    HZ   PHE  10           HZ       PHE  10  -7.358 -14.541  13.745
   72    H    SER  11           HN       SER  11  -7.761  -9.927   7.082
   73    HA   SER  11           HA       SER  11  -5.673  -8.952   5.319
   74   1HB   SER  11          2HB       SER  11  -7.510  -7.778   4.291
   75   2HB   SER  11          1HB       SER  11  -8.157  -9.319   4.851
   76    HG   SER  11           HG       SER  11  -9.085  -8.316   6.567
   77    H    LEU  12           HN       LEU  12  -5.374  -6.482   5.047
   78    HA   LEU  12           HA       LEU  12  -4.988  -5.280   7.754
   79   1HB   LEU  12          2HB       LEU  12  -3.795  -4.701   5.025
   80   2HB   LEU  12          1HB       LEU  12  -3.332  -3.882   6.517
   81    HG   LEU  12           HG       LEU  12  -2.863  -6.249   7.445
   82   1HD1  LEU  12          2HD1      LEU  12  -3.472  -6.775   4.582
   83   2HD1  LEU  12          1HD1      LEU  12  -2.085  -7.629   5.259
   84   3HD1  LEU  12          3HD1      LEU  12  -3.680  -7.821   5.987
   85   1HD2  LEU  12          1HD2      LEU  12  -1.264  -4.783   5.367
   86   2HD2  LEU  12          3HD2      LEU  12  -0.952  -4.954   7.093
   87   3HD2  LEU  12          2HD2      LEU  12  -0.659  -6.311   6.007
   88    H    GLU  13           HN       GLU  13  -7.195  -5.138   5.256
   89    HA   GLU  13           HA       GLU  13  -7.573  -2.309   4.886
   90   1HB   GLU  13          2HB       GLU  13  -9.470  -4.673   4.694
   91   2HB   GLU  13          1HB       GLU  13  -9.794  -3.069   4.036
   92   1HG   GLU  13          2HG       GLU  13  -7.753  -3.262   2.629
   93   2HG   GLU  13          1HG       GLU  13  -7.506  -4.897   3.245
   94    H    SER  14           HN       SER  14  -9.823  -4.490   6.601
   95    HA   SER  14           HA       SER  14 -11.364  -2.684   7.992
   96   1HB   SER  14          2HB       SER  14 -10.184  -5.160   9.260
   97   2HB   SER  14          1HB       SER  14 -11.796  -4.488   9.498
   98    HG   SER  14           HG       SER  14 -12.093  -4.883   7.187
   99    H    VAL  15           HN       VAL  15  -8.259  -4.003   9.236
  100    HA   VAL  15           HA       VAL  15  -8.194  -2.507  11.641
  101    HB   VAL  15           HB       VAL  15  -5.730  -2.973  11.458
  102   1HG1  VAL  15          3HG1      VAL  15  -7.851  -4.686  11.817
  103   2HG1  VAL  15          2HG1      VAL  15  -6.944  -5.497  10.535
  104   3HG1  VAL  15          1HG1      VAL  15  -6.158  -5.123  12.070
  105   1HG2  VAL  15          1HG2      VAL  15  -6.597  -3.823   8.683
  106   2HG2  VAL  15          3HG2      VAL  15  -5.323  -2.684   9.118
  107   3HG2  VAL  15          2HG2      VAL  15  -5.109  -4.406   9.430
  108    H    LYS  16           HN       LYS  16  -6.795  -1.709   8.434
  109    HA   LYS  16           HA       LYS  16  -5.679   0.808   9.088
  110   1HB   LYS  16          2HB       LYS  16  -6.920  -0.444   6.641
  111   2HB   LYS  16          1HB       LYS  16  -6.336   1.219   6.581
  112   1HG   LYS  16          2HG       LYS  16  -4.111   0.481   7.313
  113   2HG   LYS  16          1HG       LYS  16  -4.689  -1.181   7.440
  114   1HD   LYS  16          2HD       LYS  16  -5.329  -0.987   4.969
  115   2HD   LYS  16          1HD       LYS  16  -4.372   0.495   4.942
  116   1HE   LYS  16          2HE       LYS  16  -2.474  -0.728   4.750
  117   2HE   LYS  16          1HE       LYS  16  -2.861  -1.588   6.251
  118   1HZ   LYS  16          2HZ       LYS  16  -4.510  -2.883   4.892
  119   2HZ   LYS  16          1HZ       LYS  16  -3.799  -2.210   3.503
  120   3HZ   LYS  16          3HZ       LYS  16  -2.881  -3.199   4.530
  121    H    LYS  17           HN       LYS  17  -8.925   0.106   7.743
  122    HA   LYS  17           HA       LYS  17  -9.901   2.811   8.306
  123   1HB   LYS  17          2HB       LYS  17 -10.584   1.451   6.351
  124   2HB   LYS  17          1HB       LYS  17 -11.252   0.232   7.435
  125   1HG   LYS  17          2HG       LYS  17 -12.732   2.089   8.385
  126   2HG   LYS  17          1HG       LYS  17 -12.216   3.068   7.014
  127   1HD   LYS  17          2HD       LYS  17 -13.161   1.528   5.445
  128   2HD   LYS  17          1HD       LYS  17 -13.402   0.304   6.690
  129   1HE   LYS  17          2HE       LYS  17 -14.893   2.172   7.823
  130   2HE   LYS  17          1HE       LYS  17 -14.976   2.811   6.170
  131   1HZ   LYS  17          3HZ       LYS  17 -15.218   0.048   5.990
  132   2HZ   LYS  17          2HZ       LYS  17 -16.253   0.523   7.251
  133   3HZ   LYS  17          1HZ       LYS  17 -16.427   1.203   5.704
  134    H    LEU  18           HN       LEU  18  -9.102   0.493  10.407
  135    HA   LEU  18           HA       LEU  18 -11.401  -0.134  11.945
  136   1HB   LEU  18          2HB       LEU  18  -9.097  -1.107  12.047
  137   2HB   LEU  18          1HB       LEU  18  -8.533   0.383  12.803
  138    HG   LEU  18           HG       LEU  18  -9.904   0.016  14.738
  139   1HD1  LEU  18          1HD1      LEU  18 -11.343  -1.765  12.875
  140   2HD1  LEU  18          3HD1      LEU  18 -11.171  -2.405  14.510
  141   3HD1  LEU  18          2HD1      LEU  18 -11.955  -0.846  14.251
  142   1HD2  LEU  18          2HD2      LEU  18  -7.787  -1.499  14.230
  143   2HD2  LEU  18          1HD2      LEU  18  -8.801  -1.832  15.636
  144   3HD2  LEU  18          3HD2      LEU  18  -8.991  -2.789  14.166
  145    H    LYS  19           HN       LYS  19  -9.333   2.744  11.876
  146    HA   LYS  19           HA       LYS  19 -10.344   3.981  14.274
  147   1HB   LYS  19          2HB       LYS  19  -8.232   4.541  13.063
  148   2HB   LYS  19          1HB       LYS  19  -9.195   5.190  11.735
  149   1HG   LYS  19          2HG       LYS  19 -10.227   6.816  13.304
  150   2HG   LYS  19          1HG       LYS  19  -9.205   6.191  14.600
  151   1HD   LYS  19          2HD       LYS  19  -7.192   6.806  13.283
  152   2HD   LYS  19          1HD       LYS  19  -8.234   7.474  12.026
  153   1HE   LYS  19          2HE       LYS  19  -8.999   9.228  13.443
  154   2HE   LYS  19          1HE       LYS  19  -8.406   8.414  14.902
  155   1HZ   LYS  19          2HZ       LYS  19  -6.541   9.032  12.704
  156   2HZ   LYS  19          1HZ       LYS  19  -6.968  10.261  13.797
  157   3HZ   LYS  19          3HZ       LYS  19  -6.219   8.847  14.362
  158    H    ASP  20           HN       ASP  20 -11.305   4.120  10.854
  159    HA   ASP  20           HA       ASP  20 -13.771   5.627  11.670
  160   1HB   ASP  20          2HB       ASP  20 -12.084   6.781  10.190
  161   2HB   ASP  20          1HB       ASP  20 -12.365   5.529   8.980
  162    H    LEU  21           HN       LEU  21 -14.904   3.602  12.083
  163    HA   LEU  21           HA       LEU  21 -15.045   1.392  10.301
  164   1HB   LEU  21          2HB       LEU  21 -15.767   1.574  12.713
  165   2HB   LEU  21          1HB       LEU  21 -17.187   2.460  12.160
  166    HG   LEU  21           HG       LEU  21 -18.081   0.586  11.055
  167   1HD1  LEU  21          1HD1      LEU  21 -15.230  -0.366  11.036
  168   2HD1  LEU  21          3HD1      LEU  21 -16.539  -1.534  10.863
  169   3HD1  LEU  21          2HD1      LEU  21 -16.362  -0.226   9.692
  170   1HD2  LEU  21          1HD2      LEU  21 -17.391   0.370  13.722
  171   2HD2  LEU  21          3HD2      LEU  21 -18.485  -0.717  12.866
  172   3HD2  LEU  21          2HD2      LEU  21 -16.782  -1.140  13.044
  173    H    GLN  22           HN       GLN  22 -16.876   4.432  10.362
  174    HA   GLN  22           HA       GLN  22 -18.803   3.555   8.348
  175   1HB   GLN  22          2HB       GLN  22 -18.038   6.261   9.488
  176   2HB   GLN  22          1HB       GLN  22 -19.447   5.969   8.468
  177   1HG   GLN  22          2HG       GLN  22 -20.238   4.280  10.148
  178   2HG   GLN  22          1HG       GLN  22 -18.895   4.747  11.188
  179   1HE2  GLN  22          1HE2      GLN  22 -19.647   7.573   9.665
  180   2HE2  GLN  22          2HE2      GLN  22 -20.793   8.198  10.749
  181    H    GLU  23           HN       GLU  23 -18.969   4.656   6.209
  182    HA   GLU  23           HA       GLU  23 -18.037   5.255   4.123
  183   1HB   GLU  23          2HB       GLU  23 -16.294   6.661   6.158
  184   2HB   GLU  23          1HB       GLU  23 -16.087   6.905   4.424
  185   1HG   GLU  23          2HG       GLU  23 -18.800   7.197   4.692
  186   2HG   GLU  23          1HG       GLU  23 -18.224   7.867   6.219
  187    HA   PRO  24           HA       PRO  24 -15.036   1.757   4.446
  188   1HB   PRO  24          2HB       PRO  24 -16.028   0.985   1.857
  189   2HB   PRO  24          1HB       PRO  24 -16.274   0.169   3.403
  190   1HG   PRO  24          2HG       PRO  24 -18.201   1.635   1.868
  191   2HG   PRO  24          1HG       PRO  24 -18.435   0.854   3.434
  192   1HD   PRO  24          2HD       PRO  24 -18.264   3.689   2.856
  193   2HD   PRO  24          1HD       PRO  24 -18.569   2.904   4.423
  194    H    GLN  25           HN       GLN  25 -13.123   2.946   4.049
  195    HA   GLN  25           HA       GLN  25 -12.638   4.584   1.749
  196   1HB   GLN  25          2HB       GLN  25 -11.451   4.564   3.982
  197   2HB   GLN  25          1HB       GLN  25 -10.647   3.081   3.471
  198   1HG   GLN  25          2HG       GLN  25  -9.673   4.246   1.544
  199   2HG   GLN  25          1HG       GLN  25 -10.523   5.726   1.989
  200   1HE2  GLN  25          1HE2      GLN  25  -7.782   5.951   1.863
  201   2HE2  GLN  25          2HE2      GLN  25  -7.105   6.011   3.418
  202    H    GLU  26           HN       GLU  26 -12.042   1.156   2.406
  203    HA   GLU  26           HA       GLU  26 -11.318   0.809  -0.484
  204   1HB   GLU  26          2HB       GLU  26  -9.777  -1.007   0.405
  205   2HB   GLU  26          1HB       GLU  26  -9.316   0.636   0.854
  206   1HG   GLU  26          2HG       GLU  26 -11.171  -0.788   2.700
  207   2HG   GLU  26          1HG       GLU  26  -9.499  -1.351   2.662
  208    HA   PRO  27           HA       PRO  27 -15.003  -1.778   0.820
  209   1HB   PRO  27          2HB       PRO  27 -16.047  -1.191  -1.796
  210   2HB   PRO  27          1HB       PRO  27 -16.667  -0.655  -0.233
  211   1HG   PRO  27          2HG       PRO  27 -15.319   0.912  -2.226
  212   2HG   PRO  27          1HG       PRO  27 -15.930   1.446  -0.659
  213   1HD   PRO  27          2HD       PRO  27 -13.178   1.080  -1.460
  214   2HD   PRO  27          1HD       PRO  27 -13.794   1.630   0.115
  215    H    ARG  28           HN       ARG  28 -12.820  -1.632  -1.907
  216    HA   ARG  28           HA       ARG  28 -13.378  -4.526  -2.487
  217   1HB   ARG  28          2HB       ARG  28 -12.413  -2.261  -4.265
  218   2HB   ARG  28          1HB       ARG  28 -12.579  -3.937  -4.786
  219   1HG   ARG  28          2HG       ARG  28 -15.001  -3.834  -4.127
  220   2HG   ARG  28          1HG       ARG  28 -14.792  -2.114  -3.801
  221   1HD   ARG  28          2HD       ARG  28 -15.663  -2.344  -6.064
  222   2HD   ARG  28          1HD       ARG  28 -13.959  -1.871  -6.197
  223    HE   ARG  28           HE       ARG  28 -14.356  -4.768  -6.074
  224   1HH1  ARG  28          1HH1      ARG  28 -15.970  -4.056  -8.429
  225   2HH1  ARG  28          2HH1      ARG  28 -14.800  -3.999  -9.705
  226   1HH2  ARG  28          1HH2      ARG  28 -12.082  -3.788  -7.563
  227   2HH2  ARG  28          2HH2      ARG  28 -12.599  -3.846  -9.214
  228    H    VAL  29           HN       VAL  29 -11.237  -5.373  -3.757
  229    HA   VAL  29           HA       VAL  29  -8.918  -4.702  -1.974
  230    HB   VAL  29           HB       VAL  29  -9.974  -6.975  -1.812
  231   1HG1  VAL  29          3HG1      VAL  29 -10.313  -6.826  -4.472
  232   2HG1  VAL  29          2HG1      VAL  29  -8.782  -7.701  -4.448
  233   3HG1  VAL  29          1HG1      VAL  29 -10.194  -8.371  -3.632
  234   1HG2  VAL  29          3HG2      VAL  29  -7.135  -6.582  -2.718
  235   2HG2  VAL  29          2HG2      VAL  29  -7.742  -7.001  -1.116
  236   3HG2  VAL  29          1HG2      VAL  29  -7.730  -8.211  -2.400
  237    H    GLY  30           HN       GLY  30  -6.836  -4.525  -2.980
  238   1HA   GLY  30          1HA       GLY  30  -6.845  -4.470  -5.967
  239   2HA   GLY  30          2HA       GLY  30  -5.407  -4.726  -4.977
  240    H    LYS  31           HN       LYS  31  -7.409  -2.367  -3.619
  241    HA   LYS  31           HA       LYS  31  -6.324  -0.096  -5.161
  242   1HB   LYS  31          2HB       LYS  31  -8.102  -0.355  -2.713
  243   2HB   LYS  31          1HB       LYS  31  -7.743   1.172  -3.520
  244   1HG   LYS  31          2HG       LYS  31  -8.686   0.238  -5.632
  245   2HG   LYS  31          1HG       LYS  31  -9.115  -1.235  -4.761
  246   1HD   LYS  31          2HD       LYS  31 -10.508   0.123  -3.210
  247   2HD   LYS  31          1HD       LYS  31 -10.125   1.561  -4.155
  248   1HE   LYS  31          2HE       LYS  31 -11.189  -0.779  -5.672
  249   2HE   LYS  31          1HE       LYS  31 -12.335   0.098  -4.641
  250   1HZ   LYS  31          3HZ       LYS  31 -11.398   2.184  -5.628
  251   2HZ   LYS  31          2HZ       LYS  31 -10.570   1.219  -6.755
  252   3HZ   LYS  31          1HZ       LYS  31 -12.269   1.224  -6.722
  253    H    LEU  32           HN       LEU  32  -5.393   1.770  -3.756
  254    HA   LEU  32           HA       LEU  32  -2.967   0.922  -2.498
  255   1HB   LEU  32          2HB       LEU  32  -3.737   3.167  -3.602
  256   2HB   LEU  32          1HB       LEU  32  -4.331   3.562  -1.988
  257    HG   LEU  32           HG       LEU  32  -2.097   4.422  -2.108
  258   1HD1  LEU  32          2HD1      LEU  32  -2.781   2.993  -0.078
  259   2HD1  LEU  32          1HD1      LEU  32  -1.754   1.735  -0.768
  260   3HD1  LEU  32          3HD1      LEU  32  -1.055   3.285  -0.299
  261   1HD2  LEU  32          2HD2      LEU  32  -1.682   2.558  -4.043
  262   2HD2  LEU  32          1HD2      LEU  32  -0.377   3.437  -3.247
  263   3HD2  LEU  32          3HD2      LEU  32  -0.811   1.816  -2.701
  264    H    ARG  33           HN       ARG  33  -2.816  -0.045  -0.516
  265    HA   ARG  33           HA       ARG  33  -4.594   0.938   1.679
  266   1HB   ARG  33          2HB       ARG  33  -4.950  -1.414   2.325
  267   2HB   ARG  33          1HB       ARG  33  -5.475  -1.148   0.663
  268   1HG   ARG  33          2HG       ARG  33  -3.144  -1.920  -0.049
  269   2HG   ARG  33          1HG       ARG  33  -2.919  -2.461   1.614
  270   1HD   ARG  33          2HD       ARG  33  -5.035  -3.826   1.375
  271   2HD   ARG  33          1HD       ARG  33  -5.031  -3.411  -0.350
  272    HE   ARG  33           HE       ARG  33  -2.445  -4.400   0.561
  273   1HH1  ARG  33          1HH1      ARG  33  -3.344  -5.018  -2.143
  274   2HH1  ARG  33          2HH1      ARG  33  -3.865  -6.665  -2.033
  275   1HH2  ARG  33          1HH2      ARG  33  -4.094  -6.641   1.426
  276   2HH2  ARG  33          2HH2      ARG  33  -4.290  -7.585  -0.012
  277    H    ASN  34           HN       ASN  34  -2.281   2.062   1.864
  278    HA   ASN  34           HA       ASN  34  -0.676   0.381   3.752
  279   1HB   ASN  34          2HB       ASN  34   0.284   2.089   1.433
  280   2HB   ASN  34          1HB       ASN  34   1.355   1.393   2.650
  281   1HD2  ASN  34          1HD2      ASN  34   1.551   0.657  -0.121
  282   2HD2  ASN  34          2HD2      ASN  34   1.094  -0.971  -0.272
  283    H    PHE  35           HN       PHE  35  -2.128   1.841   5.194
  284    HA   PHE  35           HA       PHE  35  -0.544   3.979   6.286
  285   1HB   PHE  35          2HB       PHE  35  -1.259   5.022   4.154
  286   2HB   PHE  35          1HB       PHE  35  -2.945   4.750   4.594
  287    HD1  PHE  35           HD1      PHE  35   0.167   6.535   5.580
  288    HD2  PHE  35           HD2      PHE  35  -4.082   6.202   6.104
  289    HE1  PHE  35           HE1      PHE  35   0.160   8.659   6.860
  290    HE2  PHE  35           HE2      PHE  35  -4.091   8.327   7.385
  291    HZ   PHE  35           HZ       PHE  35  -1.969   9.555   7.763
  292    H    ALA  36           HN       ALA  36  -1.242   2.572   8.119
  293    HA   ALA  36           HA       ALA  36  -4.058   2.443   8.865
  294   1HB   ALA  36          3HB       ALA  36  -2.113   1.995  10.988
  295   2HB   ALA  36          2HB       ALA  36  -3.212   0.844  10.228
  296   3HB   ALA  36          1HB       ALA  36  -1.640   1.173   9.501
  297    HA   PRO  37           HA       PRO  37  -4.472   6.280  10.969
  298   1HB   PRO  37          2HB       PRO  37  -5.975   5.114  13.127
  299   2HB   PRO  37          1HB       PRO  37  -6.588   5.984  11.719
  300   1HG   PRO  37          2HG       PRO  37  -6.789   3.182  12.270
  301   2HG   PRO  37          1HG       PRO  37  -7.357   4.042  10.837
  302   1HD   PRO  37          2HD       PRO  37  -5.088   2.246  11.070
  303   2HD   PRO  37          1HD       PRO  37  -5.712   3.046   9.609
  304    H    ILE  38           HN       ILE  38  -1.976   5.218  11.538
  305    HA   ILE  38           HA       ILE  38  -0.280   5.198  13.180
  306    HB   ILE  38           HB       ILE  38  -2.342   6.888  14.628
  307   1HG1  ILE  38          2HG1      ILE  38  -0.213   8.070  12.902
  308   2HG1  ILE  38          1HG1      ILE  38  -1.611   7.363  12.095
  309   1HG2  ILE  38          3HG2      ILE  38   0.207   6.045  15.394
  310   2HG2  ILE  38          2HG2      ILE  38   0.465   7.672  14.763
  311   3HG2  ILE  38          1HG2      ILE  38  -0.684   7.407  16.073
  312   1HD1  ILE  38          2HD1      ILE  38  -1.845   9.358  14.361
  313   2HD1  ILE  38          1HD1      ILE  38  -1.835   9.828  12.661
  314   3HD1  ILE  38          3HD1      ILE  38  -3.126   8.801  13.285
  315    HA   PRO  39           HA       PRO  39  -1.851   1.708  15.569
  316   1HB   PRO  39          2HB       PRO  39   0.848   1.331  16.492
  317   2HB   PRO  39          1HB       PRO  39  -0.036   0.379  15.297
  318   1HG   PRO  39          2HG       PRO  39   2.123   2.220  14.843
  319   2HG   PRO  39          1HG       PRO  39   1.246   1.262  13.650
  320   1HD   PRO  39          2HD       PRO  39   1.102   4.110  14.083
  321   2HD   PRO  39          1HD       PRO  39   0.207   3.142  12.888
  322    H    GLY  40           HN       GLY  40  -1.839   1.221  17.934
  323   1HA   GLY  40          1HA       GLY  40  -0.895   3.488  19.627
  324   2HA   GLY  40          2HA       GLY  40  -1.228   1.861  20.219
  325    H    GLU  41           HN       GLU  41  -3.727   1.913  18.420
  326    HA   GLU  41           HA       GLU  41  -5.417   3.597  20.243
  327   1HB   GLU  41          2HB       GLU  41  -5.363   3.118  17.284
  328   2HB   GLU  41          1HB       GLU  41  -6.918   3.445  18.048
  329   1HG   GLU  41          2HG       GLU  41  -5.925   5.500  19.076
  330   2HG   GLU  41          1HG       GLU  41  -4.442   5.193  18.173
  331    HA   PRO  42           HA       PRO  42  -6.462  -0.946  20.669
  332   1HB   PRO  42          2HB       PRO  42  -6.962  -0.332  23.434
  333   2HB   PRO  42          1HB       PRO  42  -5.674  -1.330  22.758
  334   1HG   PRO  42          2HG       PRO  42  -5.452   1.288  23.921
  335   2HG   PRO  42          1HG       PRO  42  -4.163   0.286  23.250
  336   1HD   PRO  42          2HD       PRO  42  -5.300   2.689  22.129
  337   2HD   PRO  42          1HD       PRO  42  -4.009   1.672  21.447
  338    H    VAL  43           HN       VAL  43  -8.611  -1.692  20.694
  339    HA   VAL  43           HA       VAL  43 -10.740   0.199  21.600
  340    HB   VAL  43           HB       VAL  43 -11.918  -0.480  19.411
  341   1HG1  VAL  43          2HG1      VAL  43 -10.231   1.613  20.044
  342   2HG1  VAL  43          1HG1      VAL  43  -9.533   1.002  18.545
  343   3HG1  VAL  43          3HG1      VAL  43 -11.220   1.515  18.587
  344   1HG2  VAL  43          1HG2      VAL  43  -9.705  -2.169  19.229
  345   2HG2  VAL  43          3HG2      VAL  43 -10.848  -1.812  17.934
  346   3HG2  VAL  43          2HG2      VAL  43  -9.356  -0.882  18.075
  347    H    VAL  44           HN       VAL  44 -10.093  -1.916  23.168
  348    HA   VAL  44           HA       VAL  44 -12.321  -3.848  22.653
  349    HB   VAL  44           HB       VAL  44  -9.433  -4.378  23.404
  350   1HG1  VAL  44          1HG1      VAL  44 -11.808  -5.801  24.201
  351   2HG1  VAL  44          3HG1      VAL  44 -10.872  -6.801  23.092
  352   3HG1  VAL  44          2HG1      VAL  44 -10.124  -6.181  24.564
  353   1HG2  VAL  44          1HG2      VAL  44 -11.201  -4.889  21.043
  354   2HG2  VAL  44          3HG2      VAL  44  -9.510  -4.390  21.087
  355   3HG2  VAL  44          2HG2      VAL  44  -9.945  -6.068  21.415
  356    HA   PRO  45           HA       PRO  45 -12.005  -1.879  26.993
  357   1HB   PRO  45          2HB       PRO  45 -14.710  -0.982  26.602
  358   2HB   PRO  45          1HB       PRO  45 -13.257   0.001  26.797
  359   1HG   PRO  45          2HG       PRO  45 -14.796  -0.435  24.404
  360   2HG   PRO  45          1HG       PRO  45 -13.363   0.574  24.606
  361   1HD   PRO  45          2HD       PRO  45 -13.562  -1.937  23.210
  362   2HD   PRO  45          1HD       PRO  45 -12.109  -0.942  23.459
  363    H    ILE  46           HN       ILE  46 -14.564  -3.569  25.200
  364    HA   ILE  46           HA       ILE  46 -14.926  -5.405  27.521
  365    HB   ILE  46           HB       ILE  46 -17.122  -3.890  26.069
  366   1HG1  ILE  46          2HG1      ILE  46 -16.190  -3.730  28.951
  367   2HG1  ILE  46          1HG1      ILE  46 -15.800  -2.544  27.705
  368   1HG2  ILE  46          1HG2      ILE  46 -17.169  -6.011  28.228
  369   2HG2  ILE  46          3HG2      ILE  46 -18.543  -4.957  27.894
  370   3HG2  ILE  46          2HG2      ILE  46 -17.956  -6.062  26.650
  371   1HD1  ILE  46          1HD1      ILE  46 -18.656  -3.302  28.328
  372   2HD1  ILE  46          3HD1      ILE  46 -17.823  -2.030  29.220
  373   3HD1  ILE  46          2HD1      ILE  46 -18.064  -1.873  27.480
  374    H    LEU  47           HN       LEU  47 -15.592  -4.654  24.108
  375    HA   LEU  47           HA       LEU  47 -14.970  -7.319  23.211
  376   1HB   LEU  47          2HB       LEU  47 -17.094  -7.729  24.446
  377   2HB   LEU  47          1HB       LEU  47 -17.907  -6.565  23.401
  378    HG   LEU  47           HG       LEU  47 -17.080  -8.005  21.437
  379   1HD1  LEU  47          2HD1      LEU  47 -15.600  -9.266  23.324
  380   2HD1  LEU  47          1HD1      LEU  47 -17.019 -10.313  23.303
  381   3HD1  LEU  47          3HD1      LEU  47 -16.104 -10.039  21.821
  382   1HD2  LEU  47          1HD2      LEU  47 -19.426  -7.946  22.614
  383   2HD2  LEU  47          3HD2      LEU  47 -19.064  -9.247  21.481
  384   3HD2  LEU  47          2HD2      LEU  47 -18.959  -9.536  23.217
  385    H    CYS  48           HN       CYS  48 -13.915  -6.337  21.456
  386    HA   CYS  48           HA       CYS  48 -13.663  -4.922  19.544
  387   1HB   CYS  48          2HB       CYS  48 -16.134  -6.634  19.182
  388   2HB   CYS  48          1HB       CYS  48 -15.390  -5.742  17.854
  389    H    SER  49           HN       SER  49 -14.025  -2.758  20.232
  390    HA   SER  49           HA       SER  49 -16.540  -1.599  20.877
  391   1HB   SER  49          2HB       SER  49 -15.332   0.471  20.677
  392   2HB   SER  49          1HB       SER  49 -14.178  -0.735  21.248
  393    HG   SER  49           HG       SER  49 -13.682  -1.040  18.947
  394    H    ASN  50           HN       ASN  50 -14.874  -1.894  17.733
  395    HA   ASN  50           HA       ASN  50 -16.935  -0.376  16.319
  396   1HB   ASN  50          2HB       ASN  50 -14.406  -1.858  15.733
  397   2HB   ASN  50          1HB       ASN  50 -15.512  -1.566  14.390
  398   1HD2  ASN  50          1HD2      ASN  50 -13.588  -0.112  13.682
  399   2HD2  ASN  50          2HD2      ASN  50 -13.573   1.482  14.266
  400    HA   PRO  51           HA       PRO  51 -19.602  -4.017  16.232
  401   1HB   PRO  51          2HB       PRO  51 -21.358  -2.496  14.537
  402   2HB   PRO  51          1HB       PRO  51 -21.568  -2.894  16.243
  403   1HG   PRO  51          2HG       PRO  51 -20.937  -0.340  15.093
  404   2HG   PRO  51          1HG       PRO  51 -21.140  -0.740  16.800
  405   1HD   PRO  51          2HD       PRO  51 -18.690  -0.121  15.402
  406   2HD   PRO  51          1HD       PRO  51 -18.896  -0.516  17.124
  407    H    ASN  52           HN       ASN  52 -17.887  -2.439  13.746
  408    HA   ASN  52           HA       ASN  52 -18.486  -4.695  11.878
  409   1HB   ASN  52          2HB       ASN  52 -18.402  -1.719  11.301
  410   2HB   ASN  52          1HB       ASN  52 -18.458  -2.959  10.049
  411   1HD2  ASN  52          1HD2      ASN  52 -20.583  -1.032  10.406
  412   2HD2  ASN  52          2HD2      ASN  52 -21.970  -1.872  10.907
  413    H    PHE  53           HN       PHE  53 -16.174  -4.124  13.698
  414    HA   PHE  53           HA       PHE  53 -13.952  -3.192  12.058
  415   1HB   PHE  53          2HB       PHE  53 -12.704  -3.599  14.006
  416   2HB   PHE  53          1HB       PHE  53 -14.322  -3.376  14.676
  417    HD1  PHE  53           HD1      PHE  53 -15.788  -5.710  14.453
  418    HD2  PHE  53           HD2      PHE  53 -11.528  -5.397  14.918
  419    HE1  PHE  53           HE1      PHE  53 -15.722  -8.002  15.392
  420    HE2  PHE  53           HE2      PHE  53 -11.463  -7.698  15.861
  421    HZ   PHE  53           HZ       PHE  53 -13.562  -8.994  16.094
  422    HA   PRO  54           HA       PRO  54 -12.597  -6.902  10.096
  423   1HB   PRO  54          2HB       PRO  54 -10.299  -7.550  11.713
  424   2HB   PRO  54          1HB       PRO  54 -10.328  -6.767  10.131
  425   1HG   PRO  54          2HG       PRO  54  -9.721  -5.573  12.667
  426   2HG   PRO  54          1HG       PRO  54  -9.789  -4.783  11.091
  427   1HD   PRO  54          2HD       PRO  54 -11.647  -4.542  13.287
  428   2HD   PRO  54          1HD       PRO  54 -11.703  -3.713  11.715
  429    H    GLU  55           HN       GLU  55 -14.593  -7.728  11.308
  430    HA   GLU  55           HA       GLU  55 -14.812  -9.085  13.665
  431   1HB   GLU  55          2HB       GLU  55 -16.526  -8.852  11.883
  432   2HB   GLU  55          1HB       GLU  55 -15.706 -10.112  10.953
  433   1HG   GLU  55          2HG       GLU  55 -16.033 -11.683  12.864
  434   2HG   GLU  55          1HG       GLU  55 -16.938 -10.425  13.709
  435    H    GLU  56           HN       GLU  56 -12.948 -10.192  10.864
  436    HA   GLU  56           HA       GLU  56 -12.482 -12.886  11.590
  437   1HB   GLU  56          2HB       GLU  56 -10.628 -10.797  10.391
  438   2HB   GLU  56          1HB       GLU  56 -10.352 -12.538  10.325
  439   1HG   GLU  56          2HG       GLU  56 -12.500 -12.819   9.121
  440   2HG   GLU  56          1HG       GLU  56 -12.739 -11.071   9.160
  441    H    LEU  57           HN       LEU  57 -11.321  -9.895  12.964
  442    HA   LEU  57           HA       LEU  57  -9.232 -11.156  14.615
  443   1HB   LEU  57          2HB       LEU  57 -10.466  -8.384  14.472
  444   2HB   LEU  57          1HB       LEU  57  -9.098  -8.799  15.504
  445    HG   LEU  57           HG       LEU  57  -9.109  -9.220  12.503
  446   1HD1  LEU  57          2HD1      LEU  57  -9.015  -6.772  13.899
  447   2HD1  LEU  57          1HD1      LEU  57  -7.347  -7.130  13.452
  448   3HD1  LEU  57          3HD1      LEU  57  -8.595  -7.046  12.208
  449   1HD2  LEU  57          3HD2      LEU  57  -7.543 -10.555  14.018
  450   2HD2  LEU  57          2HD2      LEU  57  -6.763  -9.600  12.757
  451   3HD2  LEU  57          1HD2      LEU  57  -6.780  -9.016  14.421
  452    H    LYS  58           HN       LYS  58 -12.481 -11.362  14.747
  453    HA   LYS  58           HA       LYS  58 -13.546 -10.546  17.129
  454   1HB   LYS  58          2HB       LYS  58 -13.778 -12.843  15.336
  455   2HB   LYS  58          1HB       LYS  58 -14.237 -13.246  16.990
  456   1HG   LYS  58          2HG       LYS  58 -15.284 -10.817  15.508
  457   2HG   LYS  58          1HG       LYS  58 -16.133 -12.362  15.568
  458   1HD   LYS  58          2HD       LYS  58 -15.883 -12.162  18.142
  459   2HD   LYS  58          1HD       LYS  58 -15.519 -10.465  17.832
  460   1HE   LYS  58          2HE       LYS  58 -17.670 -10.047  16.929
  461   2HE   LYS  58          1HE       LYS  58 -17.985 -11.772  16.662
  462   1HZ   LYS  58          1HZ       LYS  58 -17.532 -11.884  19.218
  463   2HZ   LYS  58          3HZ       LYS  58 -17.970 -10.246  19.180
  464   3HZ   LYS  58          2HZ       LYS  58 -19.068 -11.429  18.649
  465    HA   PRO  59           HA       PRO  59 -11.381 -14.265  19.451
  466   1HB   PRO  59          2HB       PRO  59  -8.911 -14.671  18.021
  467   2HB   PRO  59          1HB       PRO  59 -10.211 -15.833  18.304
  468   1HG   PRO  59          2HG       PRO  59  -9.530 -14.465  15.847
  469   2HG   PRO  59          1HG       PRO  59 -10.759 -15.706  16.106
  470   1HD   PRO  59          2HD       PRO  59 -11.196 -12.938  15.590
  471   2HD   PRO  59          1HD       PRO  59 -12.424 -14.144  16.033
  472    H    LEU  60           HN       LEU  60  -9.262 -11.993  17.634
  473    HA   LEU  60           HA       LEU  60  -7.372 -11.417  19.622
  474   1HB   LEU  60          2HB       LEU  60  -7.975 -10.559  17.117
  475   2HB   LEU  60          1HB       LEU  60  -8.488  -9.153  18.051
  476    HG   LEU  60           HG       LEU  60  -6.090  -9.741  19.234
  477   1HD1  LEU  60          2HD1      LEU  60  -6.118 -11.229  16.835
  478   2HD1  LEU  60          1HD1      LEU  60  -5.083  -9.835  16.525
  479   3HD1  LEU  60          3HD1      LEU  60  -4.729 -10.915  17.873
  480   1HD2  LEU  60          1HD2      LEU  60  -7.219  -7.651  17.854
  481   2HD2  LEU  60          3HD2      LEU  60  -5.589  -7.639  18.528
  482   3HD2  LEU  60          2HD2      LEU  60  -5.840  -8.052  16.832
  483    H    CYS  61           HN       CYS  61 -10.606  -9.962  19.146
  484    HA   CYS  61           HA       CYS  61 -10.431  -8.102  21.333
  485   1HB   CYS  61          2HB       CYS  61 -12.790  -9.451  19.978
  486   2HB   CYS  61          1HB       CYS  61 -12.894  -8.014  20.993
  487    H    LYS  62           HN       LYS  62 -11.266 -11.514  21.143
  488    HA   LYS  62           HA       LYS  62 -12.471 -11.605  23.816
  489   1HB   LYS  62          2HB       LYS  62 -11.575 -13.703  21.816
  490   2HB   LYS  62          1HB       LYS  62 -12.489 -14.056  23.283
  491   1HG   LYS  62          2HG       LYS  62 -14.271 -12.482  22.485
  492   2HG   LYS  62          1HG       LYS  62 -13.378 -12.301  20.974
  493   1HD   LYS  62          2HD       LYS  62 -13.520 -14.790  20.667
  494   2HD   LYS  62          1HD       LYS  62 -14.556 -14.862  22.092
  495   1HE   LYS  62          2HE       LYS  62 -16.313 -13.706  21.024
  496   2HE   LYS  62          1HE       LYS  62 -15.233 -13.017  19.796
  497   1HZ   LYS  62          1HZ       LYS  62 -15.346 -15.932  20.032
  498   2HZ   LYS  62          3HZ       LYS  62 -16.686 -15.169  19.325
  499   3HZ   LYS  62          2HZ       LYS  62 -15.140 -14.966  18.649
  500    H    GLU  63           HN       GLU  63  -9.340 -11.142  22.917
  501    HA   GLU  63           HA       GLU  63  -8.314 -12.722  25.253
  502   1HB   GLU  63          2HB       GLU  63  -6.203 -12.896  23.847
  503   2HB   GLU  63          1HB       GLU  63  -7.592 -13.772  23.205
  504   1HG   GLU  63          2HG       GLU  63  -8.082 -11.937  21.667
  505   2HG   GLU  63          1HG       GLU  63  -6.774 -10.977  22.356
  506    HA   PRO  64           HA       PRO  64  -6.907  -8.843  26.802
  507   1HB   PRO  64          2HB       PRO  64  -4.609 -10.073  28.020
  508   2HB   PRO  64          1HB       PRO  64  -6.125  -9.598  28.789
  509   1HG   PRO  64          2HG       PRO  64  -5.190 -12.253  28.233
  510   2HG   PRO  64          1HG       PRO  64  -6.716 -11.778  28.982
  511   1HD   PRO  64          2HD       PRO  64  -6.294 -12.853  26.329
  512   2HD   PRO  64          1HD       PRO  64  -7.836 -12.404  27.097
  513    H    ASN  65           HN       ASN  65  -5.085 -10.852  24.684
  514    HA   ASN  65           HA       ASN  65  -2.732  -9.124  24.478
  515   1HB   ASN  65          2HB       ASN  65  -3.846 -11.390  22.794
  516   2HB   ASN  65          1HB       ASN  65  -2.246 -10.682  22.577
  517   1HD2  ASN  65          1HD2      ASN  65  -2.579 -13.449  23.288
  518   2HD2  ASN  65          2HD2      ASN  65  -1.982 -13.667  24.862
  519    H    ALA  66           HN       ALA  66  -5.912  -9.185  23.101
  520    HA   ALA  66           HA       ALA  66  -5.657  -8.100  20.554
  521   1HB   ALA  66          1HB       ALA  66  -7.614  -8.379  22.569
  522   2HB   ALA  66          2HB       ALA  66  -7.889  -7.946  20.882
  523   3HB   ALA  66          3HB       ALA  66  -7.662  -6.683  22.092
  524    H    GLN  67           HN       GLN  67  -5.360  -6.385  23.664
  525    HA   GLN  67           HA       GLN  67  -5.192  -3.727  22.694
  526   1HB   GLN  67          2HB       GLN  67  -5.383  -4.549  25.066
  527   2HB   GLN  67          1HB       GLN  67  -3.678  -4.993  24.998
  528   1HG   GLN  67          2HG       GLN  67  -3.077  -2.655  24.516
  529   2HG   GLN  67          1HG       GLN  67  -4.782  -2.203  24.549
  530   1HE2  GLN  67          1HE2      GLN  67  -3.201  -0.883  26.374
  531   2HE2  GLN  67          2HE2      GLN  67  -3.451  -1.485  27.941
  532    H    GLU  68           HN       GLU  68  -2.594  -6.152  23.163
  533    HA   GLU  68           HA       GLU  68  -0.528  -4.354  22.126
  534   1HB   GLU  68          2HB       GLU  68  -0.189  -6.116  23.864
  535   2HB   GLU  68          1HB       GLU  68  -0.544  -7.345  22.651
  536   1HG   GLU  68          2HG       GLU  68   1.356  -6.475  21.279
  537   2HG   GLU  68          1HG       GLU  68   1.741  -5.350  22.582
  538    H    ILE  69           HN       ILE  69  -2.386  -7.140  20.912
  539    HA   ILE  69           HA       ILE  69  -1.007  -7.445  18.418
  540    HB   ILE  69           HB       ILE  69  -3.882  -8.000  19.220
  541   1HG1  ILE  69          2HG1      ILE  69  -1.441  -9.802  19.240
  542   2HG1  ILE  69          1HG1      ILE  69  -2.155  -9.059  20.673
  543   1HG2  ILE  69          3HG2      ILE  69  -2.275  -8.557  16.786
  544   2HG2  ILE  69          2HG2      ILE  69  -3.241  -9.900  17.398
  545   3HG2  ILE  69          1HG2      ILE  69  -4.020  -8.378  16.966
  546   1HD1  ILE  69          3HD1      ILE  69  -4.359 -10.211  19.544
  547   2HD1  ILE  69          2HD1      ILE  69  -3.106 -11.355  19.063
  548   3HD1  ILE  69          1HD1      ILE  69  -3.362 -10.995  20.770
  549    H    LEU  70           HN       LEU  70  -3.991  -5.649  19.251
  550    HA   LEU  70           HA       LEU  70  -4.715  -4.659  16.746
  551   1HB   LEU  70          2HB       LEU  70  -5.962  -4.323  18.835
  552   2HB   LEU  70          1HB       LEU  70  -4.687  -3.269  19.446
  553    HG   LEU  70           HG       LEU  70  -6.845  -2.252  18.275
  554   1HD1  LEU  70          1HD1      LEU  70  -4.377  -1.305  18.957
  555   2HD1  LEU  70          3HD1      LEU  70  -4.391  -0.978  17.225
  556   3HD1  LEU  70          2HD1      LEU  70  -5.653  -0.308  18.259
  557   1HD2  LEU  70          2HD2      LEU  70  -6.335  -3.685  16.204
  558   2HD2  LEU  70          1HD2      LEU  70  -6.657  -1.975  15.918
  559   3HD2  LEU  70          3HD2      LEU  70  -4.999  -2.574  15.903
  560    H    GLN  71           HN       GLN  71  -2.553  -2.947  19.060
  561    HA   GLN  71           HA       GLN  71  -1.769  -0.810  17.436
  562   1HB   GLN  71          2HB       GLN  71  -1.199  -1.255  19.838
  563   2HB   GLN  71          1HB       GLN  71  -0.025  -2.456  19.298
  564   1HG   GLN  71          2HG       GLN  71   1.099  -0.657  17.950
  565   2HG   GLN  71          1HG       GLN  71  -0.003   0.513  18.676
  566   1HE2  GLN  71          1HE2      GLN  71   1.104   1.609  20.304
  567   2HE2  GLN  71          2HE2      GLN  71   2.146   0.885  21.431
  568    H    ARG  72           HN       ARG  72  -0.103  -3.985  17.686
  569    HA   ARG  72           HA       ARG  72   1.861  -3.564  15.700
  570   1HB   ARG  72          2HB       ARG  72   0.316  -6.048  16.517
  571   2HB   ARG  72          1HB       ARG  72   1.804  -6.073  15.572
  572   1HG   ARG  72          2HG       ARG  72   2.941  -4.835  17.432
  573   2HG   ARG  72          1HG       ARG  72   1.462  -4.983  18.382
  574   1HD   ARG  72          2HD       ARG  72   1.628  -7.494  18.105
  575   2HD   ARG  72          1HD       ARG  72   3.223  -7.243  17.371
  576    HE   ARG  72           HE       ARG  72   2.672  -6.012  20.030
  577   1HH1  ARG  72          1HH1      ARG  72   3.151  -9.065  19.923
  578   2HH1  ARG  72          2HH1      ARG  72   4.846  -9.127  20.278
  579   1HH2  ARG  72          1HH2      ARG  72   5.364  -5.751  19.686
  580   2HH2  ARG  72          2HH2      ARG  72   6.097  -7.252  20.144
  581    H    LEU  73           HN       LEU  73  -1.397  -5.023  15.310
  582    HA   LEU  73           HA       LEU  73  -1.366  -5.506  12.546
  583   1HB   LEU  73          2HB       LEU  73  -3.566  -4.464  14.363
  584   2HB   LEU  73          1HB       LEU  73  -3.846  -5.157  12.765
  585    HG   LEU  73           HG       LEU  73  -2.450  -6.602  15.038
  586   1HD1  LEU  73          2HD1      LEU  73  -5.283  -6.231  14.366
  587   2HD1  LEU  73          1HD1      LEU  73  -4.812  -7.926  14.486
  588   3HD1  LEU  73          3HD1      LEU  73  -4.552  -6.841  15.851
  589   1HD2  LEU  73          2HD2      LEU  73  -2.709  -7.082  12.199
  590   2HD2  LEU  73          1HD2      LEU  73  -1.814  -8.013  13.401
  591   3HD2  LEU  73          3HD2      LEU  73  -3.518  -8.362  13.104
  592    H    GLU  74           HN       GLU  74  -2.368  -2.494  14.212
  593    HA   GLU  74           HA       GLU  74  -2.969  -0.916  11.962
  594   1HB   GLU  74          2HB       GLU  74  -1.631  -0.179  14.585
  595   2HB   GLU  74          1HB       GLU  74  -2.437   0.961  13.508
  596   1HG   GLU  74          2HG       GLU  74  -3.712  -1.386  14.944
  597   2HG   GLU  74          1HG       GLU  74  -3.989   0.324  15.270
  598    H    GLU  75           HN       GLU  75   0.199  -1.143  13.662
  599    HA   GLU  75           HA       GLU  75   1.710   0.542  12.007
  600   1HB   GLU  75          2HB       GLU  75   2.382  -0.555  14.150
  601   2HB   GLU  75          1HB       GLU  75   2.537  -2.084  13.286
  602   1HG   GLU  75          2HG       GLU  75   4.216  -1.017  11.779
  603   2HG   GLU  75          1HG       GLU  75   4.111   0.453  12.749
  604    H    ILE  76           HN       ILE  76   1.400  -3.025  11.663
  605    HA   ILE  76           HA       ILE  76   2.824  -3.265   9.222
  606    HB   ILE  76           HB       ILE  76   0.423  -4.816  10.254
  607   1HG1  ILE  76          2HG1      ILE  76   2.115  -4.753  11.964
  608   2HG1  ILE  76          1HG1      ILE  76   2.253  -6.321  11.168
  609   1HG2  ILE  76          2HG2      ILE  76   2.537  -5.374   8.174
  610   2HG2  ILE  76          1HG2      ILE  76   1.699  -6.689   8.997
  611   3HG2  ILE  76          3HG2      ILE  76   0.786  -5.531   8.029
  612   1HD1  ILE  76          3HD1      ILE  76   4.012  -5.242   9.657
  613   2HD1  ILE  76          2HD1      ILE  76   4.000  -3.882  10.781
  614   3HD1  ILE  76          1HD1      ILE  76   4.484  -5.483  11.339
  615    H    ALA  77           HN       ALA  77  -0.530  -2.380   9.881
  616    HA   ALA  77           HA       ALA  77  -1.592  -2.530   7.242
  617   1HB   ALA  77          3HB       ALA  77  -2.250  -1.458   9.846
  618   2HB   ALA  77          1HB       ALA  77  -3.343  -1.951   8.553
  619   3HB   ALA  77          2HB       ALA  77  -2.711  -0.305   8.593
  620    H    GLU  78           HN       GLU  78   0.382  -0.077   8.853
  621    HA   GLU  78           HA       GLU  78   0.078   2.066   7.007
  622   1HB   GLU  78          2HB       GLU  78   2.388   1.120   8.730
  623   2HB   GLU  78          1HB       GLU  78   2.357   2.686   7.919
  624   1HG   GLU  78          2HG       GLU  78   0.217   3.205   9.104
  625   2HG   GLU  78          1HG       GLU  78   0.374   1.685   9.984
  626    H    ASP  79           HN       ASP  79   2.317  -0.718   6.985
  627    HA   ASP  79           HA       ASP  79   2.689  -0.329   4.060
  628   1HB   ASP  79          2HB       ASP  79   4.475   0.630   6.011
  629   2HB   ASP  79          1HB       ASP  79   5.218  -0.847   5.397
  630    HA   PRO  80           HA       PRO  80   2.607  -4.717   3.957
  631   1HB   PRO  80          2HB       PRO  80   4.748  -4.901   2.047
  632   2HB   PRO  80          1HB       PRO  80   3.011  -4.996   1.749
  633   1HG   PRO  80          2HG       PRO  80   4.806  -2.847   1.087
  634   2HG   PRO  80          1HG       PRO  80   3.075  -2.960   0.762
  635   1HD   PRO  80          2HD       PRO  80   4.398  -1.270   2.682
  636   2HD   PRO  80          1HD       PRO  80   2.650  -1.415   2.384
  637    H    GLY  81           HN       GLY  81   6.021  -3.604   3.612
  638   1HA   GLY  81          1HA       GLY  81   6.741  -4.938   6.119
  639   2HA   GLY  81          2HA       GLY  81   7.842  -4.057   5.057
  640    H    THR  82           HN       THR  82   7.808  -6.901   6.292
  641    HA   THR  82           HA       THR  82   8.986  -8.218   3.951
  642    HB   THR  82           HB       THR  82   9.585  -9.905   5.608
  643    HG1  THR  82          1HG       THR  82   8.718  -9.517   7.789
  644   1HG2  THR  82          2HG2      THR  82  10.190  -7.156   5.823
  645   2HG2  THR  82          1HG2      THR  82   9.926  -7.730   7.471
  646   3HG2  THR  82          3HG2      THR  82  11.132  -8.510   6.447
  647    H    CYS  83           HN       CYS  83   5.922  -8.171   5.579
  648    HA   CYS  83           HA       CYS  83   4.865 -10.725   5.004
  649   1HB   CYS  83          2HB       CYS  83   3.889  -8.798   6.344
  650   2HB   CYS  83          1HB       CYS  83   3.416  -8.069   4.808
  651    H    GLU  84           HN       GLU  84   4.624  -7.769   2.986
  652    HA   GLU  84           HA       GLU  84   3.349  -9.003   0.759
  653   1HB   GLU  84          2HB       GLU  84   3.490  -6.585   1.221
  654   2HB   GLU  84          1HB       GLU  84   5.225  -6.627   0.913
  655   1HG   GLU  84          2HG       GLU  84   4.735  -7.472  -1.398
  656   2HG   GLU  84          1HG       GLU  84   3.017  -7.251  -1.071
  657    H    ILE  85           HN       ILE  85   6.770  -8.911   1.685
  658    HA   ILE  85           HA       ILE  85   7.538  -9.985  -0.982
  659    HB   ILE  85           HB       ILE  85   9.766  -9.406  -0.295
  660   1HG1  ILE  85          2HG1      ILE  85   8.570  -9.244   2.480
  661   2HG1  ILE  85          1HG1      ILE  85   9.817 -10.356   1.921
  662   1HG2  ILE  85          2HG2      ILE  85   7.926  -7.547  -0.633
  663   2HG2  ILE  85          1HG2      ILE  85   8.181  -7.264   1.089
  664   3HG2  ILE  85          3HG2      ILE  85   9.527  -7.100  -0.041
  665   1HD1  ILE  85          2HD1      ILE  85  11.113  -8.141   1.328
  666   2HD1  ILE  85          1HD1      ILE  85  10.017  -7.417   2.506
  667   3HD1  ILE  85          3HD1      ILE  85  11.097  -8.723   2.992
  668    H    CYS  86           HN       CYS  86   6.156 -11.390   1.510
  669    HA   CYS  86           HA       CYS  86   6.242 -13.538   2.496
  670   1HB   CYS  86          2HB       CYS  86   6.843 -13.591  -0.290
  671   2HB   CYS  86          1HB       CYS  86   7.873 -14.790   0.492
  672    H    ALA  87           HN       ALA  87   8.674 -11.583   2.796
  673    HA   ALA  87           HA       ALA  87  11.029 -13.231   3.060
  674   1HB   ALA  87          1HB       ALA  87  10.080 -10.520   3.912
  675   2HB   ALA  87          3HB       ALA  87  11.543 -11.161   4.661
  676   3HB   ALA  87          2HB       ALA  87  11.467 -10.953   2.912
  677    H    TYR  88           HN       TYR  88   8.173 -13.001   4.915
  678    HA   TYR  88           HA       TYR  88   9.398 -14.652   7.064
  679   1HB   TYR  88          2HB       TYR  88   9.531 -12.184   7.618
  680   2HB   TYR  88          1HB       TYR  88   7.768 -12.148   7.586
  681    HD1  TYR  88           HD1      TYR  88  10.587 -14.103   9.114
  682    HD2  TYR  88           HD2      TYR  88   6.603 -12.560   9.565
  683    HE1  TYR  88           HE1      TYR  88  10.529 -14.934  11.450
  684    HE2  TYR  88           HE2      TYR  88   6.546 -13.391  11.901
  685    HH   TYR  88           HH       TYR  88   9.069 -15.449  13.181
  686    H    ALA  89           HN       ALA  89   7.503 -15.329   8.626
  687    HA   ALA  89           HA       ALA  89   5.398 -16.513   6.992
  688   1HB   ALA  89          2HB       ALA  89   6.665 -17.334   9.142
  689   2HB   ALA  89          1HB       ALA  89   5.437 -16.402   9.999
  690   3HB   ALA  89          3HB       ALA  89   4.958 -17.734   8.948
  691    H    ALA  90           HN       ALA  90   5.758 -13.429   8.120
  692    HA   ALA  90           HA       ALA  90   3.329 -12.735   9.398
  693   1HB   ALA  90          2HB       ALA  90   5.497 -11.464   7.866
  694   2HB   ALA  90          3HB       ALA  90   4.716 -10.931   9.354
  695   3HB   ALA  90          1HB       ALA  90   3.972 -10.582   7.793
  696    H    CYS  91           HN       CYS  91   4.076 -13.043   5.924
  697    HA   CYS  91           HA       CYS  91   1.199 -12.538   5.292
  698   1HB   CYS  91          2HB       CYS  91   3.752 -11.863   4.147
  699   2HB   CYS  91          1HB       CYS  91   2.813 -12.777   2.970
  700    H    THR  92           HN       THR  92  -0.048 -14.272   4.721
  701    HA   THR  92           HA       THR  92   1.342 -16.835   4.024
  702    HB   THR  92           HB       THR  92  -0.629 -17.896   4.966
  703    HG1  THR  92          1HG       THR  92  -1.783 -15.456   5.633
  704   1HG2  THR  92          3HG2      THR  92   1.115 -16.277   6.402
  705   2HG2  THR  92          2HG2      THR  92  -0.475 -15.812   7.003
  706   3HG2  THR  92          1HG2      THR  92   0.039 -17.497   7.084
  707    H    GLY  93           HN       GLY  93   0.385 -18.110   2.280
  708   1HA   GLY  93          1HA       GLY  93  -1.622 -16.747   0.582
  709   2HA   GLY  93          2HA       GLY  93  -1.083 -18.416   0.402
  710    H    CYS  94           HN       CYS  94   1.384 -16.046   0.873
  711    HA   CYS  94           HA       CYS  94   2.884 -15.011  -0.657
  712   1HB   CYS  94          2HB       CYS  94   2.677 -17.917  -0.950
  713   2HB   CYS  94          1HB       CYS  94   3.322 -17.140  -2.397

  No H/Q in entry =         713
  Start of MODEL   10
    1    H1   VAL   1          3H        VAL   1  -1.550 -13.575   1.480
    2    H2   VAL   1          2H        VAL   1  -1.593 -12.922  -0.088
    3    H3   VAL   1          1H        VAL   1  -0.215 -13.756   0.448
    4    HA   VAL   1           HA       VAL   1   0.551 -12.017   1.699
    5    HB   VAL   1           HB       VAL   1  -1.241 -10.701  -0.368
    6   1HG1  VAL   1          2HG1      VAL   1   0.526  -9.595   1.484
    7   2HG1  VAL   1          1HG1      VAL   1   1.472  -9.686  -0.002
    8   3HG1  VAL   1          3HG1      VAL   1  -0.060  -8.812   0.016
    9   1HG2  VAL   1          1HG2      VAL   1   1.367 -12.203  -0.599
   10   2HG2  VAL   1          3HG2      VAL   1  -0.104 -12.408  -1.550
   11   3HG2  VAL   1          2HG2      VAL   1   0.906 -10.981  -1.783
   12    H    THR   2           HN       THR   2  -1.306 -12.798   3.443
   13    HA   THR   2           HA       THR   2  -2.917 -10.338   4.050
   14    HB   THR   2           HB       THR   2  -3.520 -13.253   4.647
   15    HG1  THR   2          1HG       THR   2  -4.962 -13.085   2.976
   16   1HG2  THR   2          3HG2      THR   2  -5.047 -10.682   5.098
   17   2HG2  THR   2          2HG2      THR   2  -5.817 -12.270   5.123
   18   3HG2  THR   2          1HG2      THR   2  -4.566 -11.878   6.302
   19    H    VAL   3           HN       VAL   3  -2.948  -9.690   6.251
   20    HA   VAL   3           HA       VAL   3  -0.637 -10.512   7.854
   21    HB   VAL   3           HB       VAL   3  -2.979  -8.664   8.432
   22   1HG1  VAL   3          2HG1      VAL   3  -0.218  -8.885   9.672
   23   2HG1  VAL   3          1HG1      VAL   3  -1.403  -7.634  10.049
   24   3HG1  VAL   3          3HG1      VAL   3  -1.739  -9.318  10.452
   25   1HG2  VAL   3          3HG2      VAL   3  -0.280  -8.212   7.136
   26   2HG2  VAL   3          2HG2      VAL   3  -1.871  -7.888   6.448
   27   3HG2  VAL   3          1HG2      VAL   3  -1.267  -6.898   7.777
   28    H    GLN   4           HN       GLN   4  -0.812 -12.466   8.915
   29    HA   GLN   4           HA       GLN   4  -3.445 -13.166  10.158
   30   1HB   GLN   4          2HB       GLN   4  -2.574 -14.711   8.469
   31   2HB   GLN   4          1HB       GLN   4  -1.037 -14.820   9.330
   32   1HG   GLN   4          2HG       GLN   4  -2.257 -15.743  11.303
   33   2HG   GLN   4          1HG       GLN   4  -3.745 -15.726  10.357
   34   1HE2  GLN   4          1HE2      GLN   4  -4.125 -17.516   9.005
   35   2HE2  GLN   4          2HE2      GLN   4  -2.982 -18.730   8.684
   36    H    ASP   5           HN       ASP   5  -3.519 -12.882  12.338
   37    HA   ASP   5           HA       ASP   5  -0.987 -12.734  13.899
   38   1HB   ASP   5          2HB       ASP   5  -3.898 -12.077  14.446
   39   2HB   ASP   5          1HB       ASP   5  -2.628 -11.918  15.660
   40    H    GLY   6           HN       GLY   6  -2.920 -15.148  12.889
   41   1HA   GLY   6          1HA       GLY   6  -3.745 -16.597  15.167
   42   2HA   GLY   6          2HA       GLY   6  -2.060 -17.027  14.870
   43    H    ASN   7           HN       ASN   7  -4.762 -18.478  14.472
   44    HA   ASN   7           HA       ASN   7  -3.989 -19.832  11.994
   45   1HB   ASN   7          2HB       ASN   7  -6.361 -20.101  13.868
   46   2HB   ASN   7          1HB       ASN   7  -5.935 -21.258  12.607
   47   1HD2  ASN   7          1HD2      ASN   7  -2.974 -20.787  13.154
   48   2HD2  ASN   7          2HD2      ASN   7  -2.657 -21.648  14.581
   49    H    PHE   8           HN       PHE   8  -5.562 -16.970  12.467
   50    HA   PHE   8           HA       PHE   8  -7.366 -17.398  10.105
   51   1HB   PHE   8          2HB       PHE   8  -7.610 -15.503  12.463
   52   2HB   PHE   8          1HB       PHE   8  -8.781 -15.664  11.155
   53    HD1  PHE   8           HD1      PHE   8 -10.188 -17.657  10.957
   54    HD2  PHE   8           HD2      PHE   8  -7.341 -17.252  14.148
   55    HE1  PHE   8           HE1      PHE   8 -11.261 -19.546  12.155
   56    HE2  PHE   8           HE2      PHE   8  -8.414 -19.140  15.346
   57    HZ   PHE   8           HZ       PHE   8 -10.374 -20.286  14.349
   58    H    SER   9           HN       SER   9  -6.903 -16.120   8.350
   59    HA   SER   9           HA       SER   9  -4.665 -14.236   8.455
   60   1HB   SER   9          2HB       SER   9  -6.655 -15.014   6.298
   61   2HB   SER   9          1HB       SER   9  -5.192 -14.069   6.022
   62    HG   SER   9           HG       SER   9  -4.938 -16.485   7.379
   63    H    PHE  10           HN       PHE  10  -4.839 -12.029   8.690
   64    HA   PHE  10           HA       PHE  10  -7.593 -10.838   8.623
   65   1HB   PHE  10          2HB       PHE  10  -5.105 -10.064  10.180
   66   2HB   PHE  10          1HB       PHE  10  -6.686  -9.294  10.324
   67    HD1  PHE  10           HD1      PHE  10  -8.454 -11.694  10.107
   68    HD2  PHE  10           HD2      PHE  10  -4.818 -11.080  12.311
   69    HE1  PHE  10           HE1      PHE  10  -9.147 -13.431  11.734
   70    HE2  PHE  10           HE2      PHE  10  -5.513 -12.818  13.939
   71    HZ   PHE  10           HZ       PHE  10  -7.677 -13.993  13.651
   72    H    SER  11           HN       SER  11  -7.908  -9.272   7.089
   73    HA   SER  11           HA       SER  11  -5.836  -8.505   5.234
   74   1HB   SER  11          2HB       SER  11  -8.541  -7.256   5.820
   75   2HB   SER  11          1HB       SER  11  -7.623  -7.098   4.322
   76    HG   SER  11           HG       SER  11  -7.806  -9.361   4.068
   77    H    LEU  12           HN       LEU  12  -5.131  -6.228   4.881
   78    HA   LEU  12           HA       LEU  12  -4.398  -4.939   7.431
   79   1HB   LEU  12          2HB       LEU  12  -3.767  -4.342   4.520
   80   2HB   LEU  12          1HB       LEU  12  -2.982  -3.581   5.904
   81    HG   LEU  12           HG       LEU  12  -2.493  -6.049   6.645
   82   1HD1  LEU  12          1HD1      LEU  12  -3.326  -6.302   3.772
   83   2HD1  LEU  12          3HD1      LEU  12  -2.046  -7.345   4.392
   84   3HD1  LEU  12          2HD1      LEU  12  -3.648  -7.385   5.126
   85   1HD2  LEU  12          2HD2      LEU  12  -1.114  -4.147   4.967
   86   2HD2  LEU  12          1HD2      LEU  12  -0.442  -5.258   6.159
   87   3HD2  LEU  12          3HD2      LEU  12  -0.676  -5.788   4.494
   88    H    GLU  13           HN       GLU  13  -6.607  -4.439   4.764
   89    HA   GLU  13           HA       GLU  13  -7.119  -1.648   5.047
   90   1HB   GLU  13          2HB       GLU  13  -7.830  -3.071   3.159
   91   2HB   GLU  13          1HB       GLU  13  -8.938  -3.935   4.225
   92   1HG   GLU  13          2HG       GLU  13 -10.137  -1.813   4.676
   93   2HG   GLU  13          1HG       GLU  13  -9.047  -0.973   3.574
   94    H    SER  14           HN       SER  14  -9.273  -4.289   6.189
   95    HA   SER  14           HA       SER  14 -10.987  -2.854   7.813
   96   1HB   SER  14          2HB       SER  14  -9.705  -5.451   8.678
   97   2HB   SER  14          1HB       SER  14 -11.368  -4.925   8.932
   98    HG   SER  14           HG       SER  14 -10.743  -6.457   7.090
   99    H    VAL  15           HN       VAL  15  -7.891  -4.278   8.972
  100    HA   VAL  15           HA       VAL  15  -7.984  -3.104  11.569
  101    HB   VAL  15           HB       VAL  15  -5.580  -3.692  11.570
  102   1HG1  VAL  15          1HG1      VAL  15  -7.666  -5.382  11.407
  103   2HG1  VAL  15          3HG1      VAL  15  -6.797  -5.874   9.951
  104   3HG1  VAL  15          2HG1      VAL  15  -5.999  -5.949  11.525
  105   1HG2  VAL  15          3HG2      VAL  15  -6.050  -4.013   8.593
  106   2HG2  VAL  15          2HG2      VAL  15  -4.921  -2.908   9.377
  107   3HG2  VAL  15          1HG2      VAL  15  -4.636  -4.647   9.434
  108    H    LYS  16           HN       LYS  16  -6.313  -1.981   8.599
  109    HA   LYS  16           HA       LYS  16  -5.204   0.398   9.700
  110   1HB   LYS  16          2HB       LYS  16  -4.708  -0.687   7.489
  111   2HB   LYS  16          1HB       LYS  16  -6.270  -0.115   6.903
  112   1HG   LYS  16          2HG       LYS  16  -5.517   2.231   7.532
  113   2HG   LYS  16          1HG       LYS  16  -3.908   1.556   7.794
  114   1HD   LYS  16          2HD       LYS  16  -5.442   1.200   5.209
  115   2HD   LYS  16          1HD       LYS  16  -4.307   2.524   5.477
  116   1HE   LYS  16          2HE       LYS  16  -3.159  -0.052   6.247
  117   2HE   LYS  16          1HE       LYS  16  -3.633  -0.012   4.537
  118   1HZ   LYS  16          3HZ       LYS  16  -2.404   2.404   5.601
  119   2HZ   LYS  16          2HZ       LYS  16  -1.370   1.065   5.445
  120   3HZ   LYS  16          1HZ       LYS  16  -2.199   1.664   4.088
  121    H    LYS  17           HN       LYS  17  -8.222   0.005   7.794
  122    HA   LYS  17           HA       LYS  17  -9.156   2.683   8.519
  123   1HB   LYS  17          2HB       LYS  17 -10.532   0.334   7.172
  124   2HB   LYS  17          1HB       LYS  17 -11.071   2.013   7.132
  125   1HG   LYS  17          2HG       LYS  17  -8.393   1.053   6.079
  126   2HG   LYS  17          1HG       LYS  17  -9.815   1.331   5.072
  127   1HD   LYS  17          2HD       LYS  17  -9.874   3.694   5.953
  128   2HD   LYS  17          1HD       LYS  17  -8.329   3.378   6.742
  129   1HE   LYS  17          2HE       LYS  17  -7.660   4.324   4.684
  130   2HE   LYS  17          1HE       LYS  17  -7.587   2.586   4.331
  131   1HZ   LYS  17          3HZ       LYS  17 -10.163   3.063   3.900
  132   2HZ   LYS  17          2HZ       LYS  17  -9.536   4.582   3.472
  133   3HZ   LYS  17          1HZ       LYS  17  -8.997   3.183   2.674
  134    H    LEU  18           HN       LEU  18  -8.900  -0.009  10.372
  135    HA   LEU  18           HA       LEU  18 -11.587  -0.262  11.445
  136   1HB   LEU  18          2HB       LEU  18 -10.544  -2.121  12.189
  137   2HB   LEU  18          1HB       LEU  18  -8.988  -1.476  11.680
  138    HG   LEU  18           HG       LEU  18  -9.012  -0.119  13.863
  139   1HD1  LEU  18          3HD1      LEU  18 -11.596  -1.302  13.994
  140   2HD1  LEU  18          2HD1      LEU  18 -10.634  -2.022  15.284
  141   3HD1  LEU  18          1HD1      LEU  18 -10.821  -0.270  15.197
  142   1HD2  LEU  18          2HD2      LEU  18  -8.689  -3.080  13.582
  143   2HD2  LEU  18          1HD2      LEU  18  -7.478  -1.850  13.945
  144   3HD2  LEU  18          3HD2      LEU  18  -8.594  -2.387  15.201
  145    H    LYS  19           HN       LYS  19  -8.769   1.732  12.192
  146    HA   LYS  19           HA       LYS  19  -9.444   2.637  14.790
  147   1HB   LYS  19          2HB       LYS  19  -7.325   3.102  13.645
  148   2HB   LYS  19          1HB       LYS  19  -8.168   4.066  12.433
  149   1HG   LYS  19          2HG       LYS  19  -7.356   5.688  13.936
  150   2HG   LYS  19          1HG       LYS  19  -9.024   5.455  14.461
  151   1HD   LYS  19          2HD       LYS  19  -8.186   3.770  16.133
  152   2HD   LYS  19          1HD       LYS  19  -6.541   4.213  15.681
  153   1HE   LYS  19          2HE       LYS  19  -8.647   5.990  16.955
  154   2HE   LYS  19          1HE       LYS  19  -7.051   5.558  17.600
  155   1HZ   LYS  19          1HZ       LYS  19  -6.306   6.509  15.276
  156   2HZ   LYS  19          3HZ       LYS  19  -7.747   7.391  15.417
  157   3HZ   LYS  19          2HZ       LYS  19  -6.542   7.538  16.607
  158    H    ASP  20           HN       ASP  20 -10.565   3.750  11.603
  159    HA   ASP  20           HA       ASP  20 -12.528   5.552  12.979
  160   1HB   ASP  20          2HB       ASP  20 -12.576   6.621  10.669
  161   2HB   ASP  20          1HB       ASP  20 -11.022   6.721  11.497
  162    H    LEU  21           HN       LEU  21 -14.255   4.074  13.292
  163    HA   LEU  21           HA       LEU  21 -15.104   2.259  11.159
  164   1HB   LEU  21          2HB       LEU  21 -15.241   2.169  13.814
  165   2HB   LEU  21          1HB       LEU  21 -16.784   2.976  13.533
  166    HG   LEU  21           HG       LEU  21 -17.204   0.598  13.544
  167   1HD1  LEU  21          1HD1      LEU  21 -18.262   2.053  11.738
  168   2HD1  LEU  21          3HD1      LEU  21 -17.045   1.416  10.633
  169   3HD1  LEU  21          2HD1      LEU  21 -18.211   0.328  11.383
  170   1HD2  LEU  21          3HD2      LEU  21 -14.594   0.501  12.397
  171   2HD2  LEU  21          2HD2      LEU  21 -15.597  -0.851  12.922
  172   3HD2  LEU  21          1HD2      LEU  21 -15.702  -0.270  11.260
  173    H    GLN  22           HN       GLN  22 -16.148   3.110   9.401
  174    HA   GLN  22           HA       GLN  22 -18.410   4.993   9.893
  175   1HB   GLN  22          2HB       GLN  22 -16.115   5.336   7.934
  176   2HB   GLN  22          1HB       GLN  22 -17.547   6.365   7.980
  177   1HG   GLN  22          2HG       GLN  22 -17.023   6.979  10.319
  178   2HG   GLN  22          1HG       GLN  22 -15.584   5.961  10.259
  179   1HE2  GLN  22          1HE2      GLN  22 -15.253   8.706  10.777
  180   2HE2  GLN  22          2HE2      GLN  22 -14.545   9.457   9.430
  181    H    GLU  23           HN       GLU  23 -20.175   4.434   8.657
  182    HA   GLU  23           HA       GLU  23 -21.486   3.280   7.071
  183   1HB   GLU  23          2HB       GLU  23 -18.802   3.492   5.679
  184   2HB   GLU  23          1HB       GLU  23 -20.256   2.895   4.879
  185   1HG   GLU  23          2HG       GLU  23 -21.236   5.176   5.950
  186   2HG   GLU  23          1HG       GLU  23 -19.555   5.657   5.726
  187    HA   PRO  24           HA       PRO  24 -20.750  -0.923   8.277
  188   1HB   PRO  24          2HB       PRO  24 -22.613  -1.831   6.282
  189   2HB   PRO  24          1HB       PRO  24 -22.879  -1.653   8.019
  190   1HG   PRO  24          2HG       PRO  24 -23.937  -0.031   5.898
  191   2HG   PRO  24          1HG       PRO  24 -24.196   0.151   7.634
  192   1HD   PRO  24          2HD       PRO  24 -22.611   1.824   5.891
  193   2HD   PRO  24          1HD       PRO  24 -22.880   2.013   7.640
  194    H    GLN  25           HN       GLN  25 -19.740  -2.832   7.346
  195    HA   GLN  25           HA       GLN  25 -18.277  -3.936   5.853
  196   1HB   GLN  25          2HB       GLN  25 -20.056  -2.420   3.914
  197   2HB   GLN  25          1HB       GLN  25 -19.024  -3.785   3.486
  198   1HG   GLN  25          2HG       GLN  25 -20.266  -5.238   5.016
  199   2HG   GLN  25          1HG       GLN  25 -21.258  -3.877   5.539
  200   1HE2  GLN  25          1HE2      GLN  25 -22.461  -6.180   4.351
  201   2HE2  GLN  25          2HE2      GLN  25 -23.088  -5.742   2.836
  202    H    GLU  26           HN       GLU  26 -17.242  -3.020   3.371
  203    HA   GLU  26           HA       GLU  26 -15.562  -0.728   4.306
  204   1HB   GLU  26          2HB       GLU  26 -15.108  -2.834   2.168
  205   2HB   GLU  26          1HB       GLU  26 -13.919  -1.659   2.730
  206   1HG   GLU  26          2HG       GLU  26 -13.872  -2.640   4.927
  207   2HG   GLU  26          1HG       GLU  26 -15.263  -3.661   4.564
  208    HA   PRO  27           HA       PRO  27 -18.008   1.507   1.227
  209   1HB   PRO  27          2HB       PRO  27 -16.387   3.799   1.860
  210   2HB   PRO  27          1HB       PRO  27 -18.061   3.487   2.328
  211   1HG   PRO  27          2HG       PRO  27 -15.722   3.433   3.996
  212   2HG   PRO  27          1HG       PRO  27 -17.395   3.119   4.463
  213   1HD   PRO  27          2HD       PRO  27 -15.237   1.217   4.216
  214   2HD   PRO  27          1HD       PRO  27 -16.922   0.901   4.689
  215    H    ARG  28           HN       ARG  28 -14.528   1.218   1.551
  216    HA   ARG  28           HA       ARG  28 -14.246   1.792  -1.383
  217   1HB   ARG  28          2HB       ARG  28 -12.420   2.401   0.965
  218   2HB   ARG  28          1HB       ARG  28 -11.952   2.615  -0.723
  219   1HG   ARG  28          2HG       ARG  28 -13.889   4.152  -1.031
  220   2HG   ARG  28          1HG       ARG  28 -14.263   3.987   0.684
  221   1HD   ARG  28          2HD       ARG  28 -12.944   6.022   0.373
  222   2HD   ARG  28          1HD       ARG  28 -11.921   4.822   1.186
  223    HE   ARG  28           HE       ARG  28 -10.739   4.481  -0.890
  224   1HH1  ARG  28          1HH1      ARG  28 -11.529   7.546  -0.800
  225   2HH1  ARG  28          2HH1      ARG  28 -11.879   7.787  -2.480
  226   1HH2  ARG  28          1HH2      ARG  28 -11.993   4.398  -3.212
  227   2HH2  ARG  28          2HH2      ARG  28 -12.142   6.004  -3.844
  228    H    VAL  29           HN       VAL  29 -12.898   0.344  -2.533
  229    HA   VAL  29           HA       VAL  29 -12.006  -2.076  -0.996
  230    HB   VAL  29           HB       VAL  29 -12.874  -1.795  -3.891
  231   1HG1  VAL  29          1HG1      VAL  29 -11.548  -3.880  -2.408
  232   2HG1  VAL  29          3HG1      VAL  29 -13.152  -4.432  -2.892
  233   3HG1  VAL  29          2HG1      VAL  29 -12.010  -3.863  -4.110
  234   1HG2  VAL  29          3HG2      VAL  29 -14.374  -2.070  -1.391
  235   2HG2  VAL  29          2HG2      VAL  29 -14.955  -1.677  -3.010
  236   3HG2  VAL  29          1HG2      VAL  29 -14.727  -3.361  -2.539
  237    H    GLY  30           HN       GLY  30  -9.849  -2.617  -1.180
  238   1HA   GLY  30          1HA       GLY  30  -7.987  -0.805  -2.396
  239   2HA   GLY  30          2HA       GLY  30  -8.192  -2.221  -3.428
  240    H    LYS  31           HN       LYS  31  -7.074  -4.061  -2.888
  241    HA   LYS  31           HA       LYS  31  -6.378  -4.908  -0.260
  242   1HB   LYS  31          2HB       LYS  31  -5.158  -5.433  -2.988
  243   2HB   LYS  31          1HB       LYS  31  -4.776  -6.370  -1.543
  244   1HG   LYS  31          2HG       LYS  31  -7.207  -6.909  -1.310
  245   2HG   LYS  31          1HG       LYS  31  -7.505  -6.073  -2.834
  246   1HD   LYS  31          2HD       LYS  31  -5.922  -7.625  -3.965
  247   2HD   LYS  31          1HD       LYS  31  -5.707  -8.487  -2.441
  248   1HE   LYS  31          2HE       LYS  31  -8.513  -8.082  -3.398
  249   2HE   LYS  31          1HE       LYS  31  -7.523  -9.295  -4.232
  250   1HZ   LYS  31          1HZ       LYS  31  -6.842  -9.975  -1.866
  251   2HZ   LYS  31          3HZ       LYS  31  -8.221  -9.127  -1.361
  252   3HZ   LYS  31          2HZ       LYS  31  -8.377 -10.452  -2.415
  253    H    LEU  32           HN       LEU  32  -4.788  -2.700  -2.497
  254    HA   LEU  32           HA       LEU  32  -2.340  -2.593  -0.827
  255   1HB   LEU  32          2HB       LEU  32  -3.156  -1.129  -3.359
  256   2HB   LEU  32          1HB       LEU  32  -1.529  -1.202  -2.682
  257    HG   LEU  32           HG       LEU  32  -3.157  -3.523  -3.758
  258   1HD1  LEU  32          1HD1      LEU  32  -2.036  -2.074  -5.440
  259   2HD1  LEU  32          3HD1      LEU  32  -0.499  -2.338  -4.616
  260   3HD1  LEU  32          2HD1      LEU  32  -1.331  -3.689  -5.386
  261   1HD2  LEU  32          1HD2      LEU  32  -0.848  -3.395  -1.915
  262   2HD2  LEU  32          3HD2      LEU  32  -2.016  -4.691  -2.167
  263   3HD2  LEU  32          2HD2      LEU  32  -0.655  -4.504  -3.273
  264    H    ARG  33           HN       ARG  33  -2.104  -1.066   0.745
  265    HA   ARG  33           HA       ARG  33  -3.546   1.531   0.506
  266   1HB   ARG  33          2HB       ARG  33  -3.734  -0.497   2.753
  267   2HB   ARG  33          1HB       ARG  33  -4.255   1.180   2.932
  268   1HG   ARG  33          2HG       ARG  33  -5.773   0.867   0.969
  269   2HG   ARG  33          1HG       ARG  33  -5.311  -0.834   0.923
  270   1HD   ARG  33          2HD       ARG  33  -6.127  -1.060   3.294
  271   2HD   ARG  33          1HD       ARG  33  -6.728   0.606   3.194
  272    HE   ARG  33           HE       ARG  33  -8.011  -1.672   2.007
  273   1HH1  ARG  33          1HH1      ARG  33  -7.312   1.675   1.657
  274   2HH1  ARG  33          2HH1      ARG  33  -8.453   1.920   0.379
  275   1HH2  ARG  33          1HH2      ARG  33  -9.388  -1.416   0.218
  276   2HH2  ARG  33          2HH2      ARG  33  -9.630   0.169  -0.437
  277    H    ASN  34           HN       ASN  34  -2.510   3.217   1.795
  278    HA   ASN  34           HA       ASN  34   0.100   2.426   3.035
  279   1HB   ASN  34          2HB       ASN  34  -0.430   4.663   1.055
  280   2HB   ASN  34          1HB       ASN  34   1.120   4.340   1.830
  281   1HD2  ASN  34          1HD2      ASN  34   0.274   4.136  -1.108
  282   2HD2  ASN  34          2HD2      ASN  34   0.706   2.558  -1.561
  283    H    PHE  35           HN       PHE  35  -2.693   3.499   3.971
  284    HA   PHE  35           HA       PHE  35  -1.951   6.101   5.159
  285   1HB   PHE  35          2HB       PHE  35  -4.222   5.600   4.277
  286   2HB   PHE  35          1HB       PHE  35  -4.391   4.321   5.480
  287    HD1  PHE  35           HD1      PHE  35  -4.643   4.842   7.858
  288    HD2  PHE  35           HD2      PHE  35  -4.255   7.957   4.924
  289    HE1  PHE  35           HE1      PHE  35  -5.404   6.510   9.528
  290    HE2  PHE  35           HE2      PHE  35  -5.016   9.624   6.595
  291    HZ   PHE  35           HZ       PHE  35  -5.591   8.901   8.896
  292    H    ALA  36           HN       ALA  36  -0.902   6.203   7.107
  293    HA   ALA  36           HA       ALA  36  -0.455   3.796   8.705
  294   1HB   ALA  36          1HB       ALA  36   0.174   6.637   9.494
  295   2HB   ALA  36          2HB       ALA  36   1.069   5.847   8.196
  296   3HB   ALA  36          3HB       ALA  36   1.100   5.173   9.825
  297    HA   PRO  37           HA       PRO  37  -4.266   4.551  11.006
  298   1HB   PRO  37          2HB       PRO  37  -3.575   2.249  12.588
  299   2HB   PRO  37          1HB       PRO  37  -4.800   2.369  11.323
  300   1HG   PRO  37          2HG       PRO  37  -2.317   0.961  11.214
  301   2HG   PRO  37          1HG       PRO  37  -3.500   1.155   9.918
  302   1HD   PRO  37          2HD       PRO  37  -0.889   2.414  10.186
  303   2HD   PRO  37          1HD       PRO  37  -2.019   2.493   8.816
  304    H    ILE  38           HN       ILE  38  -4.071   3.518  13.776
  305    HA   ILE  38           HA       ILE  38  -1.981   5.336  14.921
  306    HB   ILE  38           HB       ILE  38  -4.946   5.119  15.479
  307   1HG1  ILE  38          2HG1      ILE  38  -4.627   7.673  15.300
  308   2HG1  ILE  38          1HG1      ILE  38  -3.038   7.300  14.632
  309   1HG2  ILE  38          1HG2      ILE  38  -2.715   6.124  17.232
  310   2HG2  ILE  38          3HG2      ILE  38  -4.312   6.869  17.318
  311   3HG2  ILE  38          2HG2      ILE  38  -4.119   5.152  17.673
  312   1HD1  ILE  38          3HD1      ILE  38  -5.088   5.659  13.394
  313   2HD1  ILE  38          2HD1      ILE  38  -5.472   7.373  13.229
  314   3HD1  ILE  38          1HD1      ILE  38  -3.931   6.753  12.635
  315    HA   PRO  39           HA       PRO  39  -1.768   1.023  16.662
  316   1HB   PRO  39          2HB       PRO  39   1.043   1.550  16.974
  317   2HB   PRO  39          1HB       PRO  39   0.265   0.420  15.864
  318   1HG   PRO  39          2HG       PRO  39   1.543   2.918  15.239
  319   2HG   PRO  39          1HG       PRO  39   0.775   1.784  14.126
  320   1HD   PRO  39          2HD       PRO  39  -0.185   4.377  14.944
  321   2HD   PRO  39          1HD       PRO  39  -0.969   3.223  13.840
  322    H    GLY  40           HN       GLY  40  -1.475   0.503  18.895
  323   1HA   GLY  40          1HA       GLY  40  -0.470   2.638  20.692
  324   2HA   GLY  40          2HA       GLY  40  -0.768   0.963  21.155
  325    H    GLU  41           HN       GLU  41  -3.413   1.374  19.502
  326    HA   GLU  41           HA       GLU  41  -4.905   2.842  21.652
  327   1HB   GLU  41          2HB       GLU  41  -5.074   2.630  18.686
  328   2HB   GLU  41          1HB       GLU  41  -6.603   2.760  19.555
  329   1HG   GLU  41          2HG       GLU  41  -4.252   4.662  19.799
  330   2HG   GLU  41          1HG       GLU  41  -5.769   4.996  18.964
  331    HA   PRO  42           HA       PRO  42  -6.200  -1.431  22.457
  332   1HB   PRO  42          2HB       PRO  42  -7.741  -0.348  24.633
  333   2HB   PRO  42          1HB       PRO  42  -6.239  -1.273  24.717
  334   1HG   PRO  42          2HG       PRO  42  -6.619   1.531  25.220
  335   2HG   PRO  42          1HG       PRO  42  -5.118   0.606  25.311
  336   1HD   PRO  42          2HD       PRO  42  -5.878   2.550  23.320
  337   2HD   PRO  42          1HD       PRO  42  -4.372   1.606  23.404
  338    H    VAL  43           HN       VAL  43  -8.168  -2.455  21.928
  339    HA   VAL  43           HA       VAL  43 -10.613  -0.788  21.609
  340    HB   VAL  43           HB       VAL  43  -9.361  -2.461  19.405
  341   1HG1  VAL  43          1HG1      VAL  43 -11.830  -2.300  19.325
  342   2HG1  VAL  43          3HG1      VAL  43 -11.711  -0.543  19.394
  343   3HG1  VAL  43          2HG1      VAL  43 -11.085  -1.414  17.995
  344   1HG2  VAL  43          2HG2      VAL  43  -9.340   0.504  19.981
  345   2HG2  VAL  43          1HG2      VAL  43  -7.972  -0.551  19.626
  346   3HG2  VAL  43          3HG2      VAL  43  -9.109  -0.123  18.349
  347    H    VAL  44           HN       VAL  44 -10.411  -2.651  23.583
  348    HA   VAL  44           HA       VAL  44 -12.373  -4.678  22.752
  349    HB   VAL  44           HB       VAL  44  -9.494  -5.287  23.434
  350   1HG1  VAL  44          3HG1      VAL  44 -11.941  -6.853  24.035
  351   2HG1  VAL  44          2HG1      VAL  44 -10.634  -7.745  23.257
  352   3HG1  VAL  44          1HG1      VAL  44 -10.348  -6.920  24.790
  353   1HG2  VAL  44          3HG2      VAL  44 -11.399  -5.896  21.179
  354   2HG2  VAL  44          2HG2      VAL  44  -9.792  -5.172  21.101
  355   3HG2  VAL  44          1HG2      VAL  44  -9.968  -6.892  21.443
  356    HA   PRO  45           HA       PRO  45 -12.560  -3.131  27.171
  357   1HB   PRO  45          2HB       PRO  45 -15.409  -3.066  26.775
  358   2HB   PRO  45          1HB       PRO  45 -14.317  -1.700  27.010
  359   1HG   PRO  45          2HG       PRO  45 -15.657  -2.496  24.595
  360   2HG   PRO  45          1HG       PRO  45 -14.570  -1.127  24.830
  361   1HD   PRO  45          2HD       PRO  45 -14.050  -3.571  23.385
  362   2HD   PRO  45          1HD       PRO  45 -12.949  -2.195  23.631
  363    H    ILE  46           HN       ILE  46 -14.628  -5.352  25.319
  364    HA   ILE  46           HA       ILE  46 -14.269  -7.442  27.401
  365    HB   ILE  46           HB       ILE  46 -16.627  -7.705  27.733
  366   1HG1  ILE  46          2HG1      ILE  46 -17.024  -5.715  25.478
  367   2HG1  ILE  46          1HG1      ILE  46 -17.246  -7.459  25.340
  368   1HG2  ILE  46          1HG2      ILE  46 -15.607  -5.721  28.864
  369   2HG2  ILE  46          3HG2      ILE  46 -16.141  -4.719  27.515
  370   3HG2  ILE  46          2HG2      ILE  46 -17.330  -5.517  28.545
  371   1HD1  ILE  46          1HD1      ILE  46 -18.684  -6.109  27.567
  372   2HD1  ILE  46          3HD1      ILE  46 -19.273  -5.780  25.937
  373   3HD1  ILE  46          2HD1      ILE  46 -19.207  -7.439  26.534
  374    H    LEU  47           HN       LEU  47 -15.602  -6.434  24.290
  375    HA   LEU  47           HA       LEU  47 -14.829  -9.085  23.139
  376   1HB   LEU  47          2HB       LEU  47 -17.360  -8.508  23.630
  377   2HB   LEU  47          1HB       LEU  47 -17.215  -7.512  22.185
  378    HG   LEU  47           HG       LEU  47 -17.962  -9.638  21.405
  379   1HD1  LEU  47          1HD1      LEU  47 -14.944  -9.479  21.142
  380   2HD1  LEU  47          3HD1      LEU  47 -15.972 -10.534  20.171
  381   3HD1  LEU  47          2HD1      LEU  47 -16.136  -8.782  20.043
  382   1HD2  LEU  47          3HD2      LEU  47 -16.157 -10.617  23.553
  383   2HD2  LEU  47          2HD2      LEU  47 -17.728 -11.231  23.037
  384   3HD2  LEU  47          1HD2      LEU  47 -16.279 -11.631  22.115
  385    H    CYS  48           HN       CYS  48 -16.314  -7.134  20.848
  386    HA   CYS  48           HA       CYS  48 -13.679  -5.986  20.011
  387   1HB   CYS  48          2HB       CYS  48 -16.088  -6.992  18.465
  388   2HB   CYS  48          1HB       CYS  48 -14.698  -6.209  17.714
  389    H    SER  49           HN       SER  49 -13.675  -3.793  20.325
  390    HA   SER  49           HA       SER  49 -15.875  -2.159  20.952
  391   1HB   SER  49          2HB       SER  49 -13.306  -1.803  21.051
  392   2HB   SER  49          1HB       SER  49 -13.478  -1.208  19.399
  393    HG   SER  49           HG       SER  49 -14.471  -0.157  21.796
  394    H    ASN  50           HN       ASN  50 -14.232  -2.284  17.773
  395    HA   ASN  50           HA       ASN  50 -16.404  -0.822  16.477
  396   1HB   ASN  50          2HB       ASN  50 -13.772  -2.059  15.754
  397   2HB   ASN  50          1HB       ASN  50 -14.886  -1.626  14.455
  398   1HD2  ASN  50          1HD2      ASN  50 -13.259   0.087  13.858
  399   2HD2  ASN  50          2HD2      ASN  50 -13.233   1.543  14.730
  400    HA   PRO  51           HA       PRO  51 -18.699  -4.670  15.898
  401   1HB   PRO  51          2HB       PRO  51 -20.690  -3.092  14.549
  402   2HB   PRO  51          1HB       PRO  51 -20.765  -3.775  16.175
  403   1HG   PRO  51          2HG       PRO  51 -20.503  -1.024  15.460
  404   2HG   PRO  51          1HG       PRO  51 -20.479  -1.717  17.082
  405   1HD   PRO  51          2HD       PRO  51 -18.255  -0.630  15.546
  406   2HD   PRO  51          1HD       PRO  51 -18.269  -1.183  17.236
  407    H    ASN  52           HN       ASN  52 -17.448  -2.394  13.640
  408    HA   ASN  52           HA       ASN  52 -18.055  -4.238  11.353
  409   1HB   ASN  52          2HB       ASN  52 -17.423  -1.271  11.428
  410   2HB   ASN  52          1HB       ASN  52 -17.824  -2.194   9.979
  411   1HD2  ASN  52          1HD2      ASN  52 -19.958  -3.774  10.850
  412   2HD2  ASN  52          2HD2      ASN  52 -21.252  -2.788  11.336
  413    H    PHE  53           HN       PHE  53 -15.720  -4.131  13.399
  414    HA   PHE  53           HA       PHE  53 -13.384  -3.427  11.769
  415   1HB   PHE  53          2HB       PHE  53 -12.212  -3.853  13.758
  416   2HB   PHE  53          1HB       PHE  53 -13.805  -3.438  14.384
  417    HD1  PHE  53           HD1      PHE  53 -15.474  -5.682  14.159
  418    HD2  PHE  53           HD2      PHE  53 -11.239  -5.649  14.892
  419    HE1  PHE  53           HE1      PHE  53 -15.642  -7.906  15.236
  420    HE2  PHE  53           HE2      PHE  53 -11.410  -7.884  15.977
  421    HZ   PHE  53           HZ       PHE  53 -13.614  -9.002  16.143
  422    HA   PRO  54           HA       PRO  54 -12.487  -7.276   9.854
  423   1HB   PRO  54          2HB       PRO  54 -10.100  -7.956  11.322
  424   2HB   PRO  54          1HB       PRO  54 -10.219  -7.256   9.706
  425   1HG   PRO  54          2HG       PRO  54  -9.394  -5.965  12.149
  426   2HG   PRO  54          1HG       PRO  54  -9.462  -5.281  10.524
  427   1HD   PRO  54          2HD       PRO  54 -11.187  -4.690  12.739
  428   2HD   PRO  54          1HD       PRO  54 -11.319  -4.072  11.075
  429    H    GLU  55           HN       GLU  55 -14.419  -7.983  11.213
  430    HA   GLU  55           HA       GLU  55 -14.531  -9.168  13.669
  431   1HB   GLU  55          2HB       GLU  55 -16.331  -8.983  11.959
  432   2HB   GLU  55          1HB       GLU  55 -15.617 -10.351  11.097
  433   1HG   GLU  55          2HG       GLU  55 -15.913 -11.758  13.121
  434   2HG   GLU  55          1HG       GLU  55 -16.674 -10.394  13.942
  435    H    GLU  56           HN       GLU  56 -12.813 -10.455  10.870
  436    HA   GLU  56           HA       GLU  56 -12.394 -13.131  11.671
  437   1HB   GLU  56          2HB       GLU  56 -10.481 -11.140  10.397
  438   2HB   GLU  56          1HB       GLU  56 -10.300 -12.894  10.344
  439   1HG   GLU  56          2HG       GLU  56 -12.508 -13.057   9.203
  440   2HG   GLU  56          1HG       GLU  56 -12.612 -11.296   9.198
  441    H    LEU  57           HN       LEU  57 -11.344 -10.172  13.085
  442    HA   LEU  57           HA       LEU  57  -9.145 -11.354  14.657
  443   1HB   LEU  57          2HB       LEU  57 -10.525  -8.648  14.668
  444   2HB   LEU  57          1HB       LEU  57  -9.057  -9.031  15.566
  445    HG   LEU  57           HG       LEU  57  -9.401  -9.109  12.555
  446   1HD1  LEU  57          2HD1      LEU  57  -9.121  -6.868  13.805
  447   2HD1  LEU  57          1HD1      LEU  57  -7.490  -7.426  14.178
  448   3HD1  LEU  57          3HD1      LEU  57  -7.985  -7.206  12.500
  449   1HD2  LEU  57          2HD2      LEU  57  -7.158  -9.968  14.381
  450   2HD2  LEU  57          1HD2      LEU  57  -7.911 -10.877  13.071
  451   3HD2  LEU  57          3HD2      LEU  57  -6.860  -9.510  12.704
  452    H    LYS  58           HN       LYS  58 -12.410 -11.625  14.814
  453    HA   LYS  58           HA       LYS  58 -13.439 -10.969  17.262
  454   1HB   LYS  58          2HB       LYS  58 -13.899 -12.853  15.226
  455   2HB   LYS  58          1HB       LYS  58 -13.868 -13.792  16.717
  456   1HG   LYS  58          2HG       LYS  58 -15.327 -11.467  17.334
  457   2HG   LYS  58          1HG       LYS  58 -15.910 -11.977  15.749
  458   1HD   LYS  58          2HD       LYS  58 -16.709 -14.002  16.544
  459   2HD   LYS  58          1HD       LYS  58 -15.541 -14.063  17.863
  460   1HE   LYS  58          2HE       LYS  58 -16.791 -12.567  19.199
  461   2HE   LYS  58          1HE       LYS  58 -17.703 -11.951  17.808
  462   1HZ   LYS  58          3HZ       LYS  58 -18.326 -14.469  17.573
  463   2HZ   LYS  58          2HZ       LYS  58 -17.974 -14.508  19.235
  464   3HZ   LYS  58          1HZ       LYS  58 -19.186 -13.474  18.644
  465    HA   PRO  59           HA       PRO  59 -11.224 -14.854  19.263
  466   1HB   PRO  59          2HB       PRO  59  -8.752 -15.086  17.800
  467   2HB   PRO  59          1HB       PRO  59 -10.027 -16.293  17.988
  468   1HG   PRO  59          2HG       PRO  59  -9.390 -14.691  15.659
  469   2HG   PRO  59          1HG       PRO  59 -10.574 -15.992  15.806
  470   1HD   PRO  59          2HD       PRO  59 -11.119 -13.219  15.524
  471   2HD   PRO  59          1HD       PRO  59 -12.299 -14.493  15.903
  472    H    LEU  60           HN       LEU  60  -9.246 -12.282  17.695
  473    HA   LEU  60           HA       LEU  60  -7.378 -11.963  19.827
  474   1HB   LEU  60          2HB       LEU  60  -8.487 -10.255  17.605
  475   2HB   LEU  60          1HB       LEU  60  -7.329  -9.578  18.750
  476    HG   LEU  60           HG       LEU  60  -5.932 -11.722  18.223
  477   1HD1  LEU  60          2HD1      LEU  60  -8.051 -11.708  16.107
  478   2HD1  LEU  60          1HD1      LEU  60  -6.418 -12.198  15.656
  479   3HD1  LEU  60          3HD1      LEU  60  -7.287 -13.077  16.913
  480   1HD2  LEU  60          2HD2      LEU  60  -6.304  -9.506  16.186
  481   2HD2  LEU  60          1HD2      LEU  60  -5.253  -9.446  17.601
  482   3HD2  LEU  60          3HD2      LEU  60  -4.898 -10.566  16.285
  483    H    CYS  61           HN       CYS  61 -10.611 -10.579  19.281
  484    HA   CYS  61           HA       CYS  61 -10.559  -8.665  21.417
  485   1HB   CYS  61          2HB       CYS  61 -12.795 -10.228  20.087
  486   2HB   CYS  61          1HB       CYS  61 -13.046  -8.823  21.123
  487    H    LYS  62           HN       LYS  62 -11.146 -12.135  21.333
  488    HA   LYS  62           HA       LYS  62 -12.324 -12.260  24.005
  489   1HB   LYS  62          2HB       LYS  62 -11.196 -14.307  22.073
  490   2HB   LYS  62          1HB       LYS  62 -12.032 -14.724  23.568
  491   1HG   LYS  62          2HG       LYS  62 -14.015 -13.428  22.766
  492   2HG   LYS  62          1HG       LYS  62 -13.179 -13.158  21.237
  493   1HD   LYS  62          2HD       LYS  62 -13.000 -15.637  20.952
  494   2HD   LYS  62          1HD       LYS  62 -13.958 -15.842  22.418
  495   1HE   LYS  62          2HE       LYS  62 -15.711 -14.323  21.249
  496   2HE   LYS  62          1HE       LYS  62 -14.815 -14.683  19.761
  497   1HZ   LYS  62          1HZ       LYS  62 -14.922 -17.098  20.840
  498   2HZ   LYS  62          3HZ       LYS  62 -16.359 -16.468  21.485
  499   3HZ   LYS  62          2HZ       LYS  62 -16.134 -16.517  19.801
  500    H    GLU  63           HN       GLU  63  -9.127 -11.922  22.833
  501    HA   GLU  63           HA       GLU  63  -8.016 -13.100  25.357
  502   1HB   GLU  63          2HB       GLU  63  -5.905 -13.204  23.965
  503   2HB   GLU  63          1HB       GLU  63  -7.225 -14.195  23.344
  504   1HG   GLU  63          2HG       GLU  63  -7.803 -12.489  21.710
  505   2HG   GLU  63          1HG       GLU  63  -6.613 -11.380  22.394
  506    HA   PRO  64           HA       PRO  64  -6.967  -9.012  26.642
  507   1HB   PRO  64          2HB       PRO  64  -4.613  -9.961  27.996
  508   2HB   PRO  64          1HB       PRO  64  -6.184  -9.562  28.695
  509   1HG   PRO  64          2HG       PRO  64  -5.023 -12.159  28.364
  510   2HG   PRO  64          1HG       PRO  64  -6.613 -11.764  29.020
  511   1HD   PRO  64          2HD       PRO  64  -5.982 -12.969  26.459
  512   2HD   PRO  64          1HD       PRO  64  -7.587 -12.639  27.153
  513    H    ASN  65           HN       ASN  65  -4.949 -10.997  24.693
  514    HA   ASN  65           HA       ASN  65  -2.729  -9.100  24.431
  515   1HB   ASN  65          2HB       ASN  65  -3.566 -11.520  22.800
  516   2HB   ASN  65          1HB       ASN  65  -1.981 -10.748  22.758
  517   1HD2  ASN  65          1HD2      ASN  65  -2.987 -13.530  23.766
  518   2HD2  ASN  65          2HD2      ASN  65  -2.295 -13.658  25.311
  519    H    ALA  66           HN       ALA  66  -5.864  -9.431  23.042
  520    HA   ALA  66           HA       ALA  66  -5.634  -8.579  20.400
  521   1HB   ALA  66          2HB       ALA  66  -7.590  -8.739  22.444
  522   2HB   ALA  66          3HB       ALA  66  -7.871  -8.531  20.715
  523   3HB   ALA  66          1HB       ALA  66  -7.720  -7.119  21.760
  524    H    GLN  67           HN       GLN  67  -5.470  -6.576  23.342
  525    HA   GLN  67           HA       GLN  67  -5.380  -4.020  22.085
  526   1HB   GLN  67          2HB       GLN  67  -4.172  -5.110  24.646
  527   2HB   GLN  67          1HB       GLN  67  -4.286  -3.391  24.267
  528   1HG   GLN  67          2HG       GLN  67  -6.742  -3.602  24.073
  529   2HG   GLN  67          1HG       GLN  67  -6.625  -5.318  24.459
  530   1HE2  GLN  67          1HE2      GLN  67  -8.141  -3.620  26.143
  531   2HE2  GLN  67          2HE2      GLN  67  -7.339  -3.447  27.628
  532    H    GLU  68           HN       GLU  68  -2.784  -6.341  22.866
  533    HA   GLU  68           HA       GLU  68  -0.672  -4.567  21.877
  534   1HB   GLU  68          2HB       GLU  68  -0.787  -7.505  22.641
  535   2HB   GLU  68          1HB       GLU  68   0.702  -6.619  22.306
  536   1HG   GLU  68          2HG       GLU  68   0.155  -5.036  24.135
  537   2HG   GLU  68          1HG       GLU  68  -1.310  -5.955  24.481
  538    H    ILE  69           HN       ILE  69  -2.507  -7.355  20.662
  539    HA   ILE  69           HA       ILE  69  -0.970  -7.743  18.249
  540    HB   ILE  69           HB       ILE  69  -3.865  -8.358  18.936
  541   1HG1  ILE  69          2HG1      ILE  69  -1.424 -10.145  19.117
  542   2HG1  ILE  69          1HG1      ILE  69  -2.109  -9.286  20.497
  543   1HG2  ILE  69          3HG2      ILE  69  -2.028  -9.181  16.696
  544   2HG2  ILE  69          2HG2      ILE  69  -3.311 -10.266  17.231
  545   3HG2  ILE  69          1HG2      ILE  69  -3.712  -8.663  16.613
  546   1HD1  ILE  69          3HD1      ILE  69  -4.078 -10.804  18.905
  547   2HD1  ILE  69          2HD1      ILE  69  -2.868 -11.802  19.711
  548   3HD1  ILE  69          1HD1      ILE  69  -3.880 -10.709  20.654
  549    H    LEU  70           HN       LEU  70  -3.947  -5.918  18.981
  550    HA   LEU  70           HA       LEU  70  -4.673  -5.048  16.416
  551   1HB   LEU  70          2HB       LEU  70  -6.034  -4.627  18.349
  552   2HB   LEU  70          1HB       LEU  70  -4.738  -3.741  19.149
  553    HG   LEU  70           HG       LEU  70  -6.707  -2.448  17.932
  554   1HD1  LEU  70          3HD1      LEU  70  -4.338  -1.717  18.935
  555   2HD1  LEU  70          2HD1      LEU  70  -4.005  -1.389  17.235
  556   3HD1  LEU  70          1HD1      LEU  70  -5.352  -0.586  18.040
  557   1HD2  LEU  70          2HD2      LEU  70  -5.912  -3.804  15.775
  558   2HD2  LEU  70          1HD2      LEU  70  -6.525  -2.156  15.651
  559   3HD2  LEU  70          3HD2      LEU  70  -4.788  -2.452  15.646
  560    H    GLN  71           HN       GLN  71  -2.516  -3.296  18.697
  561    HA   GLN  71           HA       GLN  71  -1.763  -1.144  17.084
  562   1HB   GLN  71          2HB       GLN  71  -1.156  -1.535  19.454
  563   2HB   GLN  71          1HB       GLN  71  -0.055  -2.819  18.952
  564   1HG   GLN  71          2HG       GLN  71   1.275  -1.213  17.666
  565   2HG   GLN  71          1HG       GLN  71   0.147   0.079  18.078
  566   1HE2  GLN  71          1HE2      GLN  71   2.713   0.578  18.865
  567   2HE2  GLN  71          2HE2      GLN  71   2.909   0.337  20.534
  568    H    ARG  72           HN       ARG  72  -0.008  -4.267  17.313
  569    HA   ARG  72           HA       ARG  72   1.957  -3.840  15.367
  570   1HB   ARG  72          2HB       ARG  72   0.341  -6.333  15.992
  571   2HB   ARG  72          1HB       ARG  72   1.895  -6.325  15.158
  572   1HG   ARG  72          2HG       ARG  72   2.916  -5.220  17.148
  573   2HG   ARG  72          1HG       ARG  72   1.367  -5.345  17.982
  574   1HD   ARG  72          2HD       ARG  72   1.458  -7.841  17.658
  575   2HD   ARG  72          1HD       ARG  72   3.090  -7.646  16.992
  576    HE   ARG  72           HE       ARG  72   3.228  -6.237  19.354
  577   1HH1  ARG  72          1HH1      ARG  72   2.324  -9.429  18.411
  578   2HH1  ARG  72          2HH1      ARG  72   2.635 -10.119  19.968
  579   1HH2  ARG  72          1HH2      ARG  72   3.552  -7.107  21.418
  580   2HH2  ARG  72          2HH2      ARG  72   3.330  -8.805  21.670
  581    H    LEU  73           HN       LEU  73  -1.257  -5.336  14.791
  582    HA   LEU  73           HA       LEU  73  -1.133  -5.662  12.018
  583   1HB   LEU  73          2HB       LEU  73  -3.442  -4.744  13.762
  584   2HB   LEU  73          1HB       LEU  73  -3.611  -5.449  12.155
  585    HG   LEU  73           HG       LEU  73  -2.436  -6.790  14.608
  586   1HD1  LEU  73          1HD1      LEU  73  -5.055  -6.525  13.910
  587   2HD1  LEU  73          3HD1      LEU  73  -4.637  -7.996  13.032
  588   3HD1  LEU  73          2HD1      LEU  73  -4.415  -7.920  14.780
  589   1HD2  LEU  73          1HD2      LEU  73  -2.003  -7.256  11.775
  590   2HD2  LEU  73          3HD2      LEU  73  -1.247  -8.046  13.159
  591   3HD2  LEU  73          2HD2      LEU  73  -2.779  -8.649  12.527
  592    H    GLU  74           HN       GLU  74  -2.213  -2.734  13.780
  593    HA   GLU  74           HA       GLU  74  -2.842  -1.113  11.559
  594   1HB   GLU  74          2HB       GLU  74  -1.556  -0.364  14.205
  595   2HB   GLU  74          1HB       GLU  74  -2.444   0.734  13.149
  596   1HG   GLU  74          2HG       GLU  74  -4.428  -0.835  13.369
  597   2HG   GLU  74          1HG       GLU  74  -3.524  -1.673  14.630
  598    H    GLU  75           HN       GLU  75   0.329  -1.492  13.214
  599    HA   GLU  75           HA       GLU  75   1.795   0.373  11.668
  600   1HB   GLU  75          2HB       GLU  75   2.570  -2.260  12.963
  601   2HB   GLU  75          1HB       GLU  75   3.723  -1.037  12.429
  602   1HG   GLU  75          2HG       GLU  75   2.617   0.613  13.937
  603   2HG   GLU  75          1HG       GLU  75   1.552  -0.667  14.518
  604    H    ILE  76           HN       ILE  76   1.567  -3.182  11.178
  605    HA   ILE  76           HA       ILE  76   3.012  -3.250   8.718
  606    HB   ILE  76           HB       ILE  76   0.772  -5.012   9.766
  607   1HG1  ILE  76          2HG1      ILE  76   3.776  -5.280  10.078
  608   2HG1  ILE  76          1HG1      ILE  76   2.702  -4.658  11.330
  609   1HG2  ILE  76          2HG2      ILE  76   2.847  -5.348   7.601
  610   2HG2  ILE  76          1HG2      ILE  76   2.143  -6.746   8.415
  611   3HG2  ILE  76          3HG2      ILE  76   1.110  -5.638   7.511
  612   1HD1  ILE  76          1HD1      ILE  76   1.471  -7.021  10.552
  613   2HD1  ILE  76          3HD1      ILE  76   3.187  -7.423  10.501
  614   3HD1  ILE  76          2HD1      ILE  76   2.470  -6.810  11.990
  615    H    ALA  77           HN       ALA  77  -0.427  -2.771   9.417
  616    HA   ALA  77           HA       ALA  77  -1.432  -2.903   6.745
  617   1HB   ALA  77          3HB       ALA  77  -2.260  -2.074   9.410
  618   2HB   ALA  77          1HB       ALA  77  -3.234  -2.752   8.106
  619   3HB   ALA  77          2HB       ALA  77  -2.939  -1.014   8.174
  620    H    GLU  78           HN       GLU  78   0.119  -0.293   8.559
  621    HA   GLU  78           HA       GLU  78  -0.520   1.912   6.896
  622   1HB   GLU  78          2HB       GLU  78   0.545   2.109   9.074
  623   2HB   GLU  78          1HB       GLU  78   1.957   1.218   8.505
  624   1HG   GLU  78          2HG       GLU  78   2.380   3.012   6.834
  625   2HG   GLU  78          1HG       GLU  78   1.009   3.914   7.482
  626    H    ASP  79           HN       ASP  79   2.012  -0.574   6.541
  627    HA   ASP  79           HA       ASP  79   2.306   0.178   3.699
  628   1HB   ASP  79          2HB       ASP  79   3.855   1.720   4.533
  629   2HB   ASP  79          1HB       ASP  79   4.319   0.672   5.872
  630    HA   PRO  80           HA       PRO  80   3.016  -4.136   3.254
  631   1HB   PRO  80          2HB       PRO  80   4.905  -3.731   1.123
  632   2HB   PRO  80          1HB       PRO  80   3.202  -4.177   0.996
  633   1HG   PRO  80          2HG       PRO  80   4.420  -1.664   0.332
  634   2HG   PRO  80          1HG       PRO  80   2.714  -2.105   0.220
  635   1HD   PRO  80          2HD       PRO  80   3.968  -0.327   2.121
  636   2HD   PRO  80          1HD       PRO  80   2.246  -0.759   1.999
  637    H    GLY  81           HN       GLY  81   4.251  -4.172   5.321
  638   1HA   GLY  81          1HA       GLY  81   6.179  -4.680   6.581
  639   2HA   GLY  81          2HA       GLY  81   7.085  -3.689   5.435
  640    H    THR  82           HN       THR  82   7.316  -6.595   6.651
  641    HA   THR  82           HA       THR  82   8.562  -7.755   4.265
  642    HB   THR  82           HB       THR  82   9.198  -9.505   5.875
  643    HG1  THR  82          1HG       THR  82   8.302  -8.820   8.126
  644   1HG2  THR  82          1HG2      THR  82   9.990  -6.910   5.965
  645   2HG2  THR  82          3HG2      THR  82   9.400  -7.119   7.615
  646   3HG2  THR  82          2HG2      THR  82  10.671  -8.171   6.992
  647    H    CYS  83           HN       CYS  83   5.464  -7.795   5.701
  648    HA   CYS  83           HA       CYS  83   4.477 -10.388   5.207
  649   1HB   CYS  83          2HB       CYS  83   3.377  -8.392   6.333
  650   2HB   CYS  83          1HB       CYS  83   3.009  -7.782   4.719
  651    H    GLU  84           HN       GLU  84   4.385  -7.581   2.971
  652    HA   GLU  84           HA       GLU  84   3.230  -8.880   0.749
  653   1HB   GLU  84          2HB       GLU  84   3.619  -6.445   1.042
  654   2HB   GLU  84          1HB       GLU  84   5.348  -6.711   0.819
  655   1HG   GLU  84          2HG       GLU  84   4.861  -7.695  -1.429
  656   2HG   GLU  84          1HG       GLU  84   3.160  -7.286  -1.204
  657    H    ILE  85           HN       ILE  85   6.624  -8.885   1.828
  658    HA   ILE  85           HA       ILE  85   7.390 -10.415  -0.607
  659    HB   ILE  85           HB       ILE  85   9.649  -9.895   0.101
  660   1HG1  ILE  85          2HG1      ILE  85   8.300  -9.113   2.692
  661   2HG1  ILE  85          1HG1      ILE  85   9.554 -10.329   2.452
  662   1HG2  ILE  85          3HG2      ILE  85   7.623  -7.938  -0.311
  663   2HG2  ILE  85          2HG2      ILE  85   8.718  -7.305   0.918
  664   3HG2  ILE  85          1HG2      ILE  85   9.346  -7.796  -0.655
  665   1HD1  ILE  85          1HD1      ILE  85  10.735  -8.066   1.416
  666   2HD1  ILE  85          3HD1      ILE  85   9.800  -7.413   2.762
  667   3HD1  ILE  85          2HD1      ILE  85  10.996  -8.678   3.050
  668    H    CYS  86           HN       CYS  86   5.916 -11.290   2.099
  669    HA   CYS  86           HA       CYS  86   5.839 -13.276   3.376
  670   1HB   CYS  86          2HB       CYS  86   7.537 -14.307   1.089
  671   2HB   CYS  86          1HB       CYS  86   6.421 -15.235   2.090
  672    H    ALA  87           HN       ALA  87   8.388 -11.406   3.385
  673    HA   ALA  87           HA       ALA  87  10.642 -13.067   4.034
  674   1HB   ALA  87          1HB       ALA  87  11.058 -10.737   5.384
  675   2HB   ALA  87          2HB       ALA  87   9.783 -10.235   4.273
  676   3HB   ALA  87          3HB       ALA  87  11.291 -10.901   3.643
  677    H    TYR  88           HN       TYR  88   7.727 -12.482   5.702
  678    HA   TYR  88           HA       TYR  88   8.850 -13.752   8.155
  679   1HB   TYR  88          2HB       TYR  88   8.019 -10.994   7.790
  680   2HB   TYR  88          1HB       TYR  88   7.027 -11.783   9.017
  681    HD1  TYR  88           HD1      TYR  88   8.074 -12.796  11.025
  682    HD2  TYR  88           HD2      TYR  88  10.379 -10.606   8.134
  683    HE1  TYR  88           HE1      TYR  88   9.944 -12.621  12.646
  684    HE2  TYR  88           HE2      TYR  88  12.248 -10.434   9.755
  685    HH   TYR  88           HH       TYR  88  11.890 -11.160  13.055
  686    H    ALA  89           HN       ALA  89   6.935 -14.345   9.657
  687    HA   ALA  89           HA       ALA  89   4.969 -15.845   8.124
  688   1HB   ALA  89          2HB       ALA  89   6.127 -15.854  10.676
  689   2HB   ALA  89          1HB       ALA  89   4.421 -15.510  10.965
  690   3HB   ALA  89          3HB       ALA  89   4.891 -16.966  10.088
  691    H    ALA  90           HN       ALA  90   5.093 -12.612   8.709
  692    HA   ALA  90           HA       ALA  90   2.512 -11.951   9.750
  693   1HB   ALA  90          1HB       ALA  90   3.926 -10.297   7.683
  694   2HB   ALA  90          3HB       ALA  90   3.156  -9.782   9.185
  695   3HB   ALA  90          2HB       ALA  90   4.722 -10.594   9.228
  696    H    CYS  91           HN       CYS  91   3.628 -12.660   6.447
  697    HA   CYS  91           HA       CYS  91   0.839 -12.238   5.452
  698   1HB   CYS  91          2HB       CYS  91   3.499 -11.700   4.500
  699   2HB   CYS  91          1HB       CYS  91   2.680 -12.763   3.358
  700    H    THR  92           HN       THR  92  -0.358 -14.071   5.213
  701    HA   THR  92           HA       THR  92   1.054 -16.687   4.891
  702    HB   THR  92           HB       THR  92  -0.918 -17.619   5.872
  703    HG1  THR  92          1HG       THR  92  -2.175 -15.101   5.584
  704   1HG2  THR  92          2HG2      THR  92   0.561 -15.750   7.185
  705   2HG2  THR  92          1HG2      THR  92  -1.055 -15.065   7.359
  706   3HG2  THR  92          3HG2      THR  92  -0.721 -16.694   7.946
  707    H    GLY  93           HN       GLY  93   0.225 -18.178   3.255
  708   1HA   GLY  93          1HA       GLY  93  -1.574 -17.008   1.205
  709   2HA   GLY  93          2HA       GLY  93  -1.129 -18.710   1.327
  710    H    CYS  94           HN       CYS  94   1.623 -16.886   1.795
  711    HA   CYS  94           HA       CYS  94   2.348 -16.111  -0.871
  712   1HB   CYS  94          2HB       CYS  94   3.794 -16.755   1.696
  713   2HB   CYS  94          1HB       CYS  94   4.697 -16.337   0.239

  No H/Q in entry =         713
  Start of MODEL   11
    1    H1   VAL   1          3H        VAL   1  -2.311 -11.268  -0.026
    2    H2   VAL   1          2H        VAL   1  -1.025 -11.151  -1.129
    3    H3   VAL   1          1H        VAL   1  -1.189 -12.533  -0.155
    4    HA   VAL   1           HA       VAL   1   0.346 -11.509   1.136
    5    HB   VAL   1           HB       VAL   1   0.545  -8.972   0.960
    6   1HG1  VAL   1          3HG1      VAL   1   0.807 -10.884  -1.339
    7   2HG1  VAL   1          2HG1      VAL   1   1.148  -9.174  -1.604
    8   3HG1  VAL   1          1HG1      VAL   1   2.070 -10.081  -0.406
    9   1HG2  VAL   1          1HG2      VAL   1  -1.950  -8.871   0.197
   10   2HG2  VAL   1          3HG2      VAL   1  -0.791  -7.779  -0.562
   11   3HG2  VAL   1          2HG2      VAL   1  -1.305  -9.243  -1.402
   12    H    THR   2           HN       THR   2  -1.931 -12.393   2.284
   13    HA   THR   2           HA       THR   2  -3.257 -10.213   3.779
   14    HB   THR   2           HB       THR   2  -3.538 -13.233   3.903
   15    HG1  THR   2          1HG       THR   2  -4.874 -11.246   2.387
   16   1HG2  THR   2          1HG2      THR   2  -4.433 -11.647   5.790
   17   2HG2  THR   2          3HG2      THR   2  -5.662 -11.225   4.598
   18   3HG2  THR   2          2HG2      THR   2  -5.493 -12.895   5.136
   19    H    VAL   3           HN       VAL   3  -3.148 -10.042   6.071
   20    HA   VAL   3           HA       VAL   3  -0.601 -11.003   7.245
   21    HB   VAL   3           HB       VAL   3  -2.522  -8.805   7.602
   22   1HG1  VAL   3          2HG1      VAL   3  -1.266 -10.132  10.024
   23   2HG1  VAL   3          1HG1      VAL   3  -1.963  -8.512  10.029
   24   3HG1  VAL   3          3HG1      VAL   3  -2.988  -9.913   9.720
   25   1HG2  VAL   3          1HG2      VAL   3   0.407  -9.351   7.853
   26   2HG2  VAL   3          3HG2      VAL   3  -0.423  -8.103   6.924
   27   3HG2  VAL   3          2HG2      VAL   3  -0.246  -7.931   8.671
   28    H    GLN   4           HN       GLN   4  -0.608 -12.889   8.385
   29    HA   GLN   4           HA       GLN   4  -3.189 -13.803   9.602
   30   1HB   GLN   4          2HB       GLN   4  -2.074 -15.172   7.815
   31   2HB   GLN   4          1HB       GLN   4  -0.684 -15.358   8.885
   32   1HG   GLN   4          2HG       GLN   4  -2.228 -16.344  10.607
   33   2HG   GLN   4          1HG       GLN   4  -3.520 -16.298   9.408
   34   1HE2  GLN   4          1HE2      GLN   4  -3.745 -18.227   8.281
   35   2HE2  GLN   4          2HE2      GLN   4  -2.498 -19.340   7.984
   36    H    ASP   5           HN       ASP   5  -3.290 -13.900  11.810
   37    HA   ASP   5           HA       ASP   5  -0.733 -13.617  13.351
   38   1HB   ASP   5          2HB       ASP   5  -3.614 -12.857  13.926
   39   2HB   ASP   5          1HB       ASP   5  -2.304 -12.686  15.095
   40    H    GLY   6           HN       GLY   6  -2.675 -15.997  12.352
   41   1HA   GLY   6          1HA       GLY   6  -3.567 -17.358  14.684
   42   2HA   GLY   6          2HA       GLY   6  -1.915 -17.875  14.349
   43    H    ASN   7           HN       ASN   7  -4.780 -19.103  14.005
   44    HA   ASN   7           HA       ASN   7  -4.110 -20.587  11.564
   45   1HB   ASN   7          2HB       ASN   7  -5.148 -21.408  13.788
   46   2HB   ASN   7          1HB       ASN   7  -6.657 -20.723  13.184
   47   1HD2  ASN   7          1HD2      ASN   7  -7.041 -23.300  13.404
   48   2HD2  ASN   7          2HD2      ASN   7  -6.794 -24.169  11.968
   49    H    PHE   8           HN       PHE   8  -5.584 -17.641  12.097
   50    HA   PHE   8           HA       PHE   8  -7.354 -17.952   9.692
   51   1HB   PHE   8          2HB       PHE   8  -7.556 -16.038  12.040
   52   2HB   PHE   8          1HB       PHE   8  -8.741 -16.227  10.745
   53    HD1  PHE   8           HD1      PHE   8  -7.139 -17.912  13.640
   54    HD2  PHE   8           HD2      PHE   8 -10.298 -18.057  10.733
   55    HE1  PHE   8           HE1      PHE   8  -8.205 -19.768  14.892
   56    HE2  PHE   8           HE2      PHE   8 -11.363 -19.914  11.982
   57    HZ   PHE   8           HZ       PHE   8 -10.316 -20.771  14.062
   58    H    SER   9           HN       SER   9  -7.137 -16.388   8.063
   59    HA   SER   9           HA       SER   9  -4.680 -14.742   8.153
   60   1HB   SER   9          2HB       SER   9  -5.033 -14.601   5.775
   61   2HB   SER   9          1HB       SER   9  -5.435 -16.252   6.244
   62    HG   SER   9           HG       SER   9  -6.980 -14.455   5.058
   63    H    PHE  10           HN       PHE  10  -4.740 -12.572   8.589
   64    HA   PHE  10           HA       PHE  10  -7.409 -11.214   8.617
   65   1HB   PHE  10          2HB       PHE  10  -4.788 -10.727  10.068
   66   2HB   PHE  10          1HB       PHE  10  -6.182  -9.657  10.193
   67    HD1  PHE  10           HD1      PHE  10  -7.969 -12.410   9.808
   68    HD2  PHE  10           HD2      PHE  10  -5.068 -10.920  12.607
   69    HE1  PHE  10           HE1      PHE  10  -8.931 -13.855  11.578
   70    HE2  PHE  10           HE2      PHE  10  -6.030 -12.369  14.373
   71    HZ   PHE  10           HZ       PHE  10  -7.962 -13.833  13.862
   72    H    SER  11           HN       SER  11  -7.709  -9.867   6.879
   73    HA   SER  11           HA       SER  11  -5.568  -9.035   5.126
   74   1HB   SER  11          2HB       SER  11  -7.955  -9.396   4.499
   75   2HB   SER  11          1HB       SER  11  -8.401  -7.995   5.472
   76    HG   SER  11           HG       SER  11  -8.147  -7.282   3.401
   77    H    LEU  12           HN       LEU  12  -5.140  -6.648   4.680
   78    HA   LEU  12           HA       LEU  12  -4.696  -5.234   7.254
   79   1HB   LEU  12          2HB       LEU  12  -3.752  -4.763   4.408
   80   2HB   LEU  12          1HB       LEU  12  -3.197  -3.856   5.814
   81    HG   LEU  12           HG       LEU  12  -2.558  -6.144   6.815
   82   1HD1  LEU  12          3HD1      LEU  12  -3.337  -6.852   4.017
   83   2HD1  LEU  12          2HD1      LEU  12  -1.940  -7.671   4.714
   84   3HD1  LEU  12          1HD1      LEU  12  -3.514  -7.788   5.502
   85   1HD2  LEU  12          3HD2      LEU  12  -1.017  -4.378   5.764
   86   2HD2  LEU  12          2HD2      LEU  12  -0.392  -6.027   5.829
   87   3HD2  LEU  12          1HD2      LEU  12  -1.033  -5.386   4.316
   88    H    GLU  13           HN       GLU  13  -7.128  -5.316   5.005
   89    HA   GLU  13           HA       GLU  13  -7.608  -2.482   4.577
   90   1HB   GLU  13          2HB       GLU  13  -9.426  -4.907   4.410
   91   2HB   GLU  13          1HB       GLU  13  -9.749  -3.333   3.686
   92   1HG   GLU  13          2HG       GLU  13  -7.741  -3.548   2.285
   93   2HG   GLU  13          1HG       GLU  13  -7.373  -5.102   3.034
   94    H    SER  14           HN       SER  14  -9.705  -4.802   6.315
   95    HA   SER  14           HA       SER  14 -11.203  -2.940   7.780
   96   1HB   SER  14          2HB       SER  14 -10.289  -5.616   8.844
   97   2HB   SER  14          1HB       SER  14 -11.851  -4.829   9.075
   98    HG   SER  14           HG       SER  14 -11.261  -6.560   7.248
   99    H    VAL  15           HN       VAL  15  -8.044  -4.379   8.639
  100    HA   VAL  15           HA       VAL  15  -7.930  -3.255  11.287
  101    HB   VAL  15           HB       VAL  15  -5.992  -4.387   9.280
  102   1HG1  VAL  15          3HG1      VAL  15  -5.376  -3.000  11.889
  103   2HG1  VAL  15          2HG1      VAL  15  -4.332  -4.278  11.266
  104   3HG1  VAL  15          1HG1      VAL  15  -4.577  -2.805  10.329
  105   1HG2  VAL  15          3HG2      VAL  15  -7.492  -5.248  11.671
  106   2HG2  VAL  15          2HG2      VAL  15  -6.885  -6.206  10.317
  107   3HG2  VAL  15          1HG2      VAL  15  -5.807  -5.774  11.645
  108    H    LYS  16           HN       LYS  16  -6.293  -2.222   8.248
  109    HA   LYS  16           HA       LYS  16  -5.195   0.191   9.222
  110   1HB   LYS  16          2HB       LYS  16  -4.656  -0.703   7.038
  111   2HB   LYS  16          1HB       LYS  16  -6.343  -0.611   6.529
  112   1HG   LYS  16          2HG       LYS  16  -6.252   1.864   6.772
  113   2HG   LYS  16          1HG       LYS  16  -4.546   1.741   7.201
  114   1HD   LYS  16          2HD       LYS  16  -3.963   0.910   5.039
  115   2HD   LYS  16          1HD       LYS  16  -5.651   0.613   4.621
  116   1HE   LYS  16          2HE       LYS  16  -4.483   2.771   3.682
  117   2HE   LYS  16          1HE       LYS  16  -6.112   2.928   4.366
  118   1HZ   LYS  16          2HZ       LYS  16  -3.666   3.169   6.026
  119   2HZ   LYS  16          1HZ       LYS  16  -4.352   4.514   5.250
  120   3HZ   LYS  16          3HZ       LYS  16  -5.246   3.659   6.410
  121    H    LYS  17           HN       LYS  17  -8.313  -0.246   7.512
  122    HA   LYS  17           HA       LYS  17  -9.246   2.425   8.279
  123   1HB   LYS  17          2HB       LYS  17  -9.759   1.209   6.131
  124   2HB   LYS  17          1HB       LYS  17 -10.716   0.061   7.068
  125   1HG   LYS  17          2HG       LYS  17 -12.135   1.927   7.877
  126   2HG   LYS  17          1HG       LYS  17 -11.198   3.052   6.893
  127   1HD   LYS  17          2HD       LYS  17 -11.811   1.663   4.875
  128   2HD   LYS  17          1HD       LYS  17 -12.899   0.742   5.914
  129   1HE   LYS  17          2HE       LYS  17 -14.389   2.509   6.142
  130   2HE   LYS  17          1HE       LYS  17 -13.124   3.734   5.934
  131   1HZ   LYS  17          3HZ       LYS  17 -13.595   1.879   3.722
  132   2HZ   LYS  17          2HZ       LYS  17 -14.770   3.079   3.977
  133   3HZ   LYS  17          1HZ       LYS  17 -13.156   3.517   3.680
  134    H    LEU  18           HN       LEU  18  -8.784  -0.196  10.141
  135    HA   LEU  18           HA       LEU  18 -11.223  -0.864  11.391
  136   1HB   LEU  18          2HB       LEU  18  -8.801  -1.747  11.612
  137   2HB   LEU  18          1HB       LEU  18  -8.582  -0.472  12.809
  138    HG   LEU  18           HG       LEU  18 -10.852  -2.464  12.965
  139   1HD1  LEU  18          3HD1      LEU  18  -7.978  -2.698  13.803
  140   2HD1  LEU  18          2HD1      LEU  18  -9.225  -3.404  14.833
  141   3HD1  LEU  18          1HD1      LEU  18  -9.060  -3.937  13.160
  142   1HD2  LEU  18          3HD2      LEU  18  -9.516  -0.572  14.921
  143   2HD2  LEU  18          2HD2      LEU  18 -11.172  -0.490  14.323
  144   3HD2  LEU  18          1HD2      LEU  18 -10.688  -1.801  15.400
  145    H    LYS  19           HN       LYS  19  -8.975   1.832  12.090
  146    HA   LYS  19           HA       LYS  19 -10.303   2.882  14.376
  147   1HB   LYS  19          2HB       LYS  19  -8.045   3.493  13.464
  148   2HB   LYS  19          1HB       LYS  19  -8.851   4.366  12.160
  149   1HG   LYS  19          2HG       LYS  19 -10.007   5.776  13.858
  150   2HG   LYS  19          1HG       LYS  19  -9.120   4.937  15.130
  151   1HD   LYS  19          2HD       LYS  19  -6.981   5.668  14.055
  152   2HD   LYS  19          1HD       LYS  19  -7.924   6.602  12.893
  153   1HE   LYS  19          2HE       LYS  19  -8.763   8.059  14.598
  154   2HE   LYS  19          1HE       LYS  19  -8.203   6.981  15.890
  155   1HZ   LYS  19          3HZ       LYS  19  -6.244   7.897  13.914
  156   2HZ   LYS  19          2HZ       LYS  19  -6.757   9.022  15.078
  157   3HZ   LYS  19          1HZ       LYS  19  -6.034   7.564  15.563
  158    H    ASP  20           HN       ASP  20 -10.698   3.753  10.922
  159    HA   ASP  20           HA       ASP  20 -13.164   5.280  11.610
  160   1HB   ASP  20          2HB       ASP  20 -11.343   6.261  10.204
  161   2HB   ASP  20          1HB       ASP  20 -11.611   4.985   9.016
  162    H    LEU  21           HN       LEU  21 -14.904   3.869  11.723
  163    HA   LEU  21           HA       LEU  21 -15.161   1.802   9.566
  164   1HB   LEU  21          2HB       LEU  21 -15.007   1.313  12.137
  165   2HB   LEU  21          1HB       LEU  21 -16.686   1.852  12.162
  166    HG   LEU  21           HG       LEU  21 -16.779  -0.511  11.842
  167   1HD1  LEU  21          1HD1      LEU  21 -18.170   0.920  10.279
  168   2HD1  LEU  21          3HD1      LEU  21 -16.931   0.660   9.053
  169   3HD1  LEU  21          2HD1      LEU  21 -17.842  -0.708   9.688
  170   1HD2  LEU  21          3HD2      LEU  21 -14.294  -0.026  10.429
  171   2HD2  LEU  21          2HD2      LEU  21 -14.920  -1.538  11.085
  172   3HD2  LEU  21          1HD2      LEU  21 -15.373  -1.029   9.459
  173    H    GLN  22           HN       GLN  22 -16.749   2.197   8.081
  174    HA   GLN  22           HA       GLN  22 -19.003   4.014   8.872
  175   1HB   GLN  22          2HB       GLN  22 -17.557   3.627   6.232
  176   2HB   GLN  22          1HB       GLN  22 -18.956   4.676   6.457
  177   1HG   GLN  22          2HG       GLN  22 -17.710   5.985   8.136
  178   2HG   GLN  22          1HG       GLN  22 -16.314   4.927   7.929
  179   1HE2  GLN  22          1HE2      GLN  22 -16.125   7.729   7.389
  180   2HE2  GLN  22          2HE2      GLN  22 -15.899   7.943   5.720
  181    H    GLU  23           HN       GLU  23 -21.089   3.457   7.993
  182    HA   GLU  23           HA       GLU  23 -21.919   0.814   8.028
  183   1HB   GLU  23          2HB       GLU  23 -22.878   3.390   7.074
  184   2HB   GLU  23          1HB       GLU  23 -23.503   2.071   6.085
  185   1HG   GLU  23          2HG       GLU  23 -23.718   2.353   9.095
  186   2HG   GLU  23          1HG       GLU  23 -25.038   2.411   7.926
  187    HA   PRO  24           HA       PRO  24 -21.363   0.577   3.195
  188   1HB   PRO  24          2HB       PRO  24 -19.305   2.474   2.527
  189   2HB   PRO  24          1HB       PRO  24 -20.982   2.446   1.975
  190   1HG   PRO  24          2HG       PRO  24 -19.766   4.271   3.829
  191   2HG   PRO  24          1HG       PRO  24 -21.444   4.240   3.281
  192   1HD   PRO  24          2HD       PRO  24 -20.413   3.511   5.876
  193   2HD   PRO  24          1HD       PRO  24 -22.104   3.485   5.325
  194    H    GLN  25           HN       GLN  25 -19.806  -0.866   2.314
  195    HA   GLN  25           HA       GLN  25 -17.470  -1.433   4.072
  196   1HB   GLN  25          2HB       GLN  25 -19.168  -3.174   3.491
  197   2HB   GLN  25          1HB       GLN  25 -18.730  -2.992   1.793
  198   1HG   GLN  25          2HG       GLN  25 -16.381  -3.603   2.372
  199   2HG   GLN  25          1HG       GLN  25 -16.893  -3.882   4.037
  200   1HE2  GLN  25          1HE2      GLN  25 -17.332  -6.049   4.442
  201   2HE2  GLN  25          2HE2      GLN  25 -17.923  -7.160   3.301
  202    H    GLU  26           HN       GLU  26 -15.423  -2.111   2.888
  203    HA   GLU  26           HA       GLU  26 -14.986  -0.352   0.499
  204   1HB   GLU  26          2HB       GLU  26 -12.607  -0.384   1.339
  205   2HB   GLU  26          1HB       GLU  26 -13.751   0.320   2.482
  206   1HG   GLU  26          2HG       GLU  26 -13.474  -1.369   3.985
  207   2HG   GLU  26          1HG       GLU  26 -13.413  -2.602   2.728
  208    HA   PRO  27           HA       PRO  27 -14.681  -4.706  -1.036
  209   1HB   PRO  27          2HB       PRO  27 -15.259  -3.574  -3.618
  210   2HB   PRO  27          1HB       PRO  27 -16.293  -4.604  -2.625
  211   1HG   PRO  27          2HG       PRO  27 -16.582  -1.793  -3.154
  212   2HG   PRO  27          1HG       PRO  27 -17.623  -2.826  -2.171
  213   1HD   PRO  27          2HD       PRO  27 -15.800  -0.782  -1.266
  214   2HD   PRO  27          1HD       PRO  27 -16.835  -1.838  -0.274
  215    H    ARG  28           HN       ARG  28 -13.136  -1.695  -1.737
  216    HA   ARG  28           HA       ARG  28 -11.350  -2.351  -3.828
  217   1HB   ARG  28          2HB       ARG  28 -11.021  -0.648  -1.336
  218   2HB   ARG  28          1HB       ARG  28  -9.937  -0.584  -2.726
  219   1HG   ARG  28          2HG       ARG  28 -11.895  -0.021  -4.173
  220   2HG   ARG  28          1HG       ARG  28 -12.911   0.021  -2.732
  221   1HD   ARG  28          2HD       ARG  28 -11.391   1.795  -1.786
  222   2HD   ARG  28          1HD       ARG  28 -10.541   1.824  -3.343
  223    HE   ARG  28           HE       ARG  28 -13.477   2.094  -3.492
  224   1HH1  ARG  28          1HH1      ARG  28 -11.174   4.135  -2.271
  225   2HH1  ARG  28          2HH1      ARG  28 -11.358   5.378  -3.462
  226   1HH2  ARG  28          1HH2      ARG  28 -13.384   3.468  -5.527
  227   2HH2  ARG  28          2HH2      ARG  28 -12.608   5.000  -5.305
  228    H    VAL  29           HN       VAL  29  -9.173  -3.192  -3.768
  229    HA   VAL  29           HA       VAL  29  -8.753  -5.277  -1.740
  230    HB   VAL  29           HB       VAL  29  -7.073  -4.334  -4.087
  231   1HG1  VAL  29          1HG1      VAL  29  -7.021  -6.780  -2.315
  232   2HG1  VAL  29          3HG1      VAL  29  -6.316  -6.794  -3.932
  233   3HG1  VAL  29          2HG1      VAL  29  -5.694  -5.686  -2.708
  234   1HG2  VAL  29          1HG2      VAL  29  -9.524  -5.983  -3.863
  235   2HG2  VAL  29          3HG2      VAL  29  -8.899  -5.076  -5.240
  236   3HG2  VAL  29          2HG2      VAL  29  -8.243  -6.669  -4.863
  237    H    GLY  30           HN       GLY  30  -6.997  -5.317  -0.255
  238   1HA   GLY  30          1HA       GLY  30  -5.563  -4.316   1.319
  239   2HA   GLY  30          2HA       GLY  30  -6.112  -2.746   0.730
  240    H    LYS  31           HN       LYS  31  -5.300  -2.438  -1.725
  241    HA   LYS  31           HA       LYS  31  -2.561  -3.487  -2.126
  242   1HB   LYS  31          2HB       LYS  31  -4.418  -1.698  -3.727
  243   2HB   LYS  31          1HB       LYS  31  -2.847  -2.260  -4.300
  244   1HG   LYS  31          2HG       LYS  31  -3.625  -4.616  -3.962
  245   2HG   LYS  31          1HG       LYS  31  -5.219  -3.990  -3.545
  246   1HD   LYS  31          2HD       LYS  31  -5.299  -2.852  -5.774
  247   2HD   LYS  31          1HD       LYS  31  -3.770  -3.631  -6.185
  248   1HE   LYS  31          2HE       LYS  31  -5.493  -5.674  -5.197
  249   2HE   LYS  31          1HE       LYS  31  -6.421  -4.727  -6.376
  250   1HZ   LYS  31          1HZ       LYS  31  -3.611  -5.418  -6.930
  251   2HZ   LYS  31          3HZ       LYS  31  -4.815  -6.580  -7.204
  252   3HZ   LYS  31          2HZ       LYS  31  -4.870  -5.093  -8.025
  253    H    LEU  32           HN       LEU  32  -3.984  -0.204  -2.377
  254    HA   LEU  32           HA       LEU  32  -1.378   0.976  -1.624
  255   1HB   LEU  32          2HB       LEU  32  -4.043   2.246  -2.329
  256   2HB   LEU  32          1HB       LEU  32  -2.470   3.044  -2.326
  257    HG   LEU  32           HG       LEU  32  -3.306   0.743  -4.120
  258   1HD1  LEU  32          2HD1      LEU  32  -3.498   3.619  -4.345
  259   2HD1  LEU  32          1HD1      LEU  32  -2.410   2.987  -5.581
  260   3HD1  LEU  32          3HD1      LEU  32  -4.062   2.381  -5.468
  261   1HD2  LEU  32          3HD2      LEU  32  -0.697   1.790  -3.319
  262   2HD2  LEU  32          2HD2      LEU  32  -1.087   0.318  -4.208
  263   3HD2  LEU  32          1HD2      LEU  32  -0.934   1.851  -5.066
  264    H    ARG  33           HN       ARG  33  -3.988  -0.225   0.065
  265    HA   ARG  33           HA       ARG  33  -4.565   1.796   2.002
  266   1HB   ARG  33          2HB       ARG  33  -4.887  -1.111   1.614
  267   2HB   ARG  33          1HB       ARG  33  -4.819  -0.622   3.308
  268   1HG   ARG  33          2HG       ARG  33  -6.899   0.241   3.200
  269   2HG   ARG  33          1HG       ARG  33  -6.468   1.216   1.795
  270   1HD   ARG  33          2HD       ARG  33  -6.730  -0.938   0.410
  271   2HD   ARG  33          1HD       ARG  33  -7.526  -1.621   1.841
  272    HE   ARG  33           HE       ARG  33  -9.316  -0.056   1.544
  273   1HH1  ARG  33          1HH1      ARG  33  -8.500  -0.590  -1.395
  274   2HH1  ARG  33          2HH1      ARG  33  -8.531   1.024  -2.023
  275   1HH2  ARG  33          1HH2      ARG  33  -8.566   2.523   1.103
  276   2HH2  ARG  33          2HH2      ARG  33  -8.569   2.786  -0.609
  277    H    ASN  34           HN       ASN  34  -2.213   2.593   2.186
  278    HA   ASN  34           HA       ASN  34  -0.818   1.070   4.363
  279   1HB   ASN  34          2HB       ASN  34   0.352   2.517   1.965
  280   2HB   ASN  34          1HB       ASN  34   1.296   1.750   3.242
  281   1HD2  ASN  34          1HD2      ASN  34  -0.175  -0.638   3.628
  282   2HD2  ASN  34          2HD2      ASN  34  -0.116  -1.565   2.206
  283    H    PHE  35           HN       PHE  35  -2.668   3.518   4.294
  284    HA   PHE  35           HA       PHE  35  -0.757   5.523   5.446
  285   1HB   PHE  35          2HB       PHE  35  -3.535   5.813   4.254
  286   2HB   PHE  35          1HB       PHE  35  -2.556   7.143   4.874
  287    HD1  PHE  35           HD1      PHE  35  -0.478   7.824   3.726
  288    HD2  PHE  35           HD2      PHE  35  -3.011   4.732   2.151
  289    HE1  PHE  35           HE1      PHE  35   0.685   7.984   1.541
  290    HE2  PHE  35           HE2      PHE  35  -1.848   4.892  -0.033
  291    HZ   PHE  35           HZ       PHE  35  -0.001   6.518  -0.339
  292    H    ALA  36           HN       ALA  36  -1.452   3.432   7.127
  293    HA   ALA  36           HA       ALA  36  -3.838   3.736   8.649
  294   1HB   ALA  36          3HB       ALA  36  -2.849   2.107   9.963
  295   2HB   ALA  36          1HB       ALA  36  -1.277   2.906   9.944
  296   3HB   ALA  36          2HB       ALA  36  -1.813   1.981   8.541
  297    HA   PRO  37           HA       PRO  37  -3.079   7.524  10.814
  298   1HB   PRO  37          2HB       PRO  37  -4.711   6.647  13.010
  299   2HB   PRO  37          1HB       PRO  37  -5.157   7.729  11.687
  300   1HG   PRO  37          2HG       PRO  37  -6.069   5.061  12.127
  301   2HG   PRO  37          1HG       PRO  37  -6.432   6.104  10.750
  302   1HD   PRO  37          2HD       PRO  37  -4.680   3.773  10.851
  303   2HD   PRO  37          1HD       PRO  37  -5.188   4.719   9.432
  304    H    ILE  38           HN       ILE  38  -1.253   5.121  11.323
  305    HA   ILE  38           HA       ILE  38   0.426   4.550  12.874
  306    HB   ILE  38           HB       ILE  38  -0.441   7.186  14.103
  307   1HG1  ILE  38          2HG1      ILE  38   1.852   7.013  12.216
  308   2HG1  ILE  38          1HG1      ILE  38   0.242   6.897  11.507
  309   1HG2  ILE  38          2HG2      ILE  38   2.187   5.670  14.127
  310   2HG2  ILE  38          1HG2      ILE  38   1.940   7.277  14.810
  311   3HG2  ILE  38          3HG2      ILE  38   1.102   5.888  15.500
  312   1HD1  ILE  38          3HD1      ILE  38  -0.170   8.972  13.180
  313   2HD1  ILE  38          2HD1      ILE  38   1.553   9.194  12.873
  314   3HD1  ILE  38          1HD1      ILE  38   0.412   9.187  11.529
  315    HA   PRO  39           HA       PRO  39  -2.020   2.457  15.932
  316   1HB   PRO  39          2HB       PRO  39   0.387   1.712  17.321
  317   2HB   PRO  39          1HB       PRO  39  -0.605   0.717  16.253
  318   1HG   PRO  39          2HG       PRO  39   1.998   1.811  15.729
  319   2HG   PRO  39          1HG       PRO  39   1.003   0.822  14.660
  320   1HD   PRO  39          2HD       PRO  39   1.590   3.641  14.432
  321   2HD   PRO  39          1HD       PRO  39   0.594   2.641  13.348
  322    H    GLY  40           HN       GLY  40  -2.318   2.580  18.339
  323   1HA   GLY  40          1HA       GLY  40  -1.600   5.281  19.322
  324   2HA   GLY  40          2HA       GLY  40  -1.097   3.909  20.308
  325    H    GLU  41           HN       GLU  41  -3.984   3.210  18.681
  326    HA   GLU  41           HA       GLU  41  -5.589   4.055  21.074
  327   1HB   GLU  41          2HB       GLU  41  -7.451   4.284  19.502
  328   2HB   GLU  41          1HB       GLU  41  -6.072   5.212  18.912
  329   1HG   GLU  41          2HG       GLU  41  -6.079   4.020  17.004
  330   2HG   GLU  41          1HG       GLU  41  -5.835   2.535  17.925
  331    HA   PRO  42           HA       PRO  42  -5.458  -0.604  20.845
  332   1HB   PRO  42          2HB       PRO  42  -5.536  -0.516  23.718
  333   2HB   PRO  42          1HB       PRO  42  -4.203  -1.035  22.683
  334   1HG   PRO  42          2HG       PRO  42  -4.382   1.360  24.254
  335   2HG   PRO  42          1HG       PRO  42  -3.057   0.848  23.206
  336   1HD   PRO  42          2HD       PRO  42  -4.965   2.975  22.753
  337   2HD   PRO  42          1HD       PRO  42  -3.611   2.478  21.712
  338    H    VAL  43           HN       VAL  43  -7.445  -1.590  20.658
  339    HA   VAL  43           HA       VAL  43  -9.652  -0.714  22.485
  340    HB   VAL  43           HB       VAL  43 -11.139  -0.689  20.517
  341   1HG1  VAL  43          1HG1      VAL  43  -9.334   1.223  21.186
  342   2HG1  VAL  43          3HG1      VAL  43  -8.862   0.928  19.514
  343   3HG1  VAL  43          2HG1      VAL  43 -10.513   1.421  19.889
  344   1HG2  VAL  43          2HG2      VAL  43  -8.672  -1.775  19.224
  345   2HG2  VAL  43          1HG2      VAL  43 -10.361  -2.210  18.959
  346   3HG2  VAL  43          3HG2      VAL  43  -9.713  -0.725  18.261
  347    H    VAL  44           HN       VAL  44 -11.004  -2.413  23.136
  348    HA   VAL  44           HA       VAL  44 -11.465  -4.878  21.881
  349    HB   VAL  44           HB       VAL  44  -8.788  -4.566  23.055
  350   1HG1  VAL  44          2HG1      VAL  44  -9.884  -5.868  24.877
  351   2HG1  VAL  44          1HG1      VAL  44 -10.379  -7.072  23.688
  352   3HG1  VAL  44          3HG1      VAL  44  -8.668  -6.815  24.023
  353   1HG2  VAL  44          2HG2      VAL  44 -10.024  -5.664  20.772
  354   2HG2  VAL  44          1HG2      VAL  44  -8.301  -5.668  21.152
  355   3HG2  VAL  44          3HG2      VAL  44  -9.312  -7.030  21.632
  356    HA   PRO  45           HA       PRO  45 -12.073  -5.414  26.681
  357   1HB   PRO  45          2HB       PRO  45 -11.538  -2.844  27.858
  358   2HB   PRO  45          1HB       PRO  45 -10.707  -4.372  28.157
  359   1HG   PRO  45          2HG       PRO  45  -9.726  -2.085  26.728
  360   2HG   PRO  45          1HG       PRO  45  -8.899  -3.617  27.018
  361   1HD   PRO  45          2HD       PRO  45  -9.990  -2.631  24.537
  362   2HD   PRO  45          1HD       PRO  45  -9.147  -4.170  24.823
  363    H    ILE  46           HN       ILE  46 -12.801  -2.609  24.763
  364    HA   ILE  46           HA       ILE  46 -15.254  -1.942  26.274
  365    HB   ILE  46           HB       ILE  46 -14.027  -0.914  23.693
  366   1HG1  ILE  46          2HG1      ILE  46 -14.056   0.273  26.484
  367   2HG1  ILE  46          1HG1      ILE  46 -12.674  -0.552  25.761
  368   1HG2  ILE  46          3HG2      ILE  46 -16.622  -0.504  24.867
  369   2HG2  ILE  46          2HG2      ILE  46 -15.709   1.002  24.946
  370   3HG2  ILE  46          1HG2      ILE  46 -15.959   0.203  23.394
  371   1HD1  ILE  46          1HD1      ILE  46 -12.658   1.106  23.922
  372   2HD1  ILE  46          3HD1      ILE  46 -14.022   1.938  24.669
  373   3HD1  ILE  46          2HD1      ILE  46 -12.463   1.888  25.492
  374    H    LEU  47           HN       LEU  47 -15.068  -4.624  25.085
  375    HA   LEU  47           HA       LEU  47 -16.385  -6.086  23.775
  376   1HB   LEU  47          2HB       LEU  47 -18.087  -3.714  24.466
  377   2HB   LEU  47          1HB       LEU  47 -18.740  -4.931  23.368
  378    HG   LEU  47           HG       LEU  47 -19.266  -5.359  25.798
  379   1HD1  LEU  47          2HD1      LEU  47 -17.868  -7.227  23.955
  380   2HD1  LEU  47          1HD1      LEU  47 -18.047  -7.768  25.624
  381   3HD1  LEU  47          3HD1      LEU  47 -19.474  -7.347  24.675
  382   1HD2  LEU  47          1HD2      LEU  47 -16.880  -4.518  26.443
  383   2HD2  LEU  47          3HD2      LEU  47 -17.568  -5.871  27.342
  384   3HD2  LEU  47          2HD2      LEU  47 -16.377  -6.168  26.076
  385    H    CYS  48           HN       CYS  48 -14.730  -5.564  22.008
  386    HA   CYS  48           HA       CYS  48 -14.192  -4.855  19.807
  387   1HB   CYS  48          2HB       CYS  48 -17.164  -5.448  19.630
  388   2HB   CYS  48          1HB       CYS  48 -16.037  -5.451  18.274
  389    H    SER  49           HN       SER  49 -13.725  -2.618  20.043
  390    HA   SER  49           HA       SER  49 -15.567  -0.516  20.452
  391   1HB   SER  49          2HB       SER  49 -13.019  -0.533  20.485
  392   2HB   SER  49          1HB       SER  49 -13.084  -0.429  18.726
  393    HG   SER  49           HG       SER  49 -13.782   1.569  18.844
  394    H    ASN  50           HN       ASN  50 -14.141  -1.465  17.308
  395    HA   ASN  50           HA       ASN  50 -16.170   0.029  15.826
  396   1HB   ASN  50          2HB       ASN  50 -13.767  -1.675  15.266
  397   2HB   ASN  50          1HB       ASN  50 -14.877  -1.312  13.944
  398   1HD2  ASN  50          1HD2      ASN  50 -15.537   1.217  14.003
  399   2HD2  ASN  50          2HD2      ASN  50 -14.226   2.278  14.187
  400    HA   PRO  51           HA       PRO  51 -19.019  -3.455  16.110
  401   1HB   PRO  51          2HB       PRO  51 -20.739  -1.988  14.331
  402   2HB   PRO  51          1HB       PRO  51 -20.922  -2.229  16.071
  403   1HG   PRO  51          2HG       PRO  51 -20.189   0.180  14.690
  404   2HG   PRO  51          1HG       PRO  51 -20.361  -0.063  16.431
  405   1HD   PRO  51          2HD       PRO  51 -17.924   0.297  14.921
  406   2HD   PRO  51          1HD       PRO  51 -18.099   0.065  16.675
  407    H    ASN  52           HN       ASN  52 -17.239  -2.254  13.488
  408    HA   ASN  52           HA       ASN  52 -18.035  -4.608  11.829
  409   1HB   ASN  52          2HB       ASN  52 -17.944  -1.681  11.101
  410   2HB   ASN  52          1HB       ASN  52 -17.858  -2.937   9.867
  411   1HD2  ASN  52          1HD2      ASN  52 -20.084  -1.124  10.014
  412   2HD2  ASN  52          2HD2      ASN  52 -21.464  -2.010  10.454
  413    H    PHE  53           HN       PHE  53 -15.681  -4.061  13.531
  414    HA   PHE  53           HA       PHE  53 -13.432  -3.358  11.804
  415   1HB   PHE  53          2HB       PHE  53 -12.202  -3.615  13.778
  416   2HB   PHE  53          1HB       PHE  53 -13.810  -3.309  14.434
  417    HD1  PHE  53           HD1      PHE  53 -15.307  -5.665  14.348
  418    HD2  PHE  53           HD2      PHE  53 -11.061  -5.308  14.900
  419    HE1  PHE  53           HE1      PHE  53 -15.268  -7.868  15.485
  420    HE2  PHE  53           HE2      PHE  53 -11.022  -7.516  16.037
  421    HZ   PHE  53           HZ       PHE  53 -13.125  -8.789  16.329
  422    HA   PRO  54           HA       PRO  54 -12.195  -7.253  10.149
  423   1HB   PRO  54          2HB       PRO  54 -10.034  -7.948  11.930
  424   2HB   PRO  54          1HB       PRO  54  -9.927  -7.290  10.299
  425   1HG   PRO  54          2HG       PRO  54  -9.379  -5.958  12.784
  426   2HG   PRO  54          1HG       PRO  54  -9.276  -5.292  11.153
  427   1HD   PRO  54          2HD       PRO  54 -11.225  -4.696  13.176
  428   2HD   PRO  54          1HD       PRO  54 -11.155  -4.051  11.522
  429    H    GLU  55           HN       GLU  55 -14.318  -7.880  11.319
  430    HA   GLU  55           HA       GLU  55 -14.668  -9.160  13.722
  431   1HB   GLU  55          2HB       GLU  55 -16.342  -8.804  11.908
  432   2HB   GLU  55          1HB       GLU  55 -15.631 -10.158  11.024
  433   1HG   GLU  55          2HG       GLU  55 -16.108 -11.640  12.967
  434   2HG   GLU  55          1HG       GLU  55 -16.888 -10.286  13.782
  435    H    GLU  56           HN       GLU  56 -13.022 -10.522  10.875
  436    HA   GLU  56           HA       GLU  56 -12.743 -13.210  11.684
  437   1HB   GLU  56          2HB       GLU  56 -10.827 -11.312  10.283
  438   2HB   GLU  56          1HB       GLU  56 -10.636 -13.066  10.307
  439   1HG   GLU  56          2HG       GLU  56 -12.903 -13.282   9.273
  440   2HG   GLU  56          1HG       GLU  56 -12.981 -11.523   9.156
  441    H    LEU  57           HN       LEU  57 -11.447 -10.326  13.035
  442    HA   LEU  57           HA       LEU  57  -9.346 -11.724  14.602
  443   1HB   LEU  57          2HB       LEU  57 -10.224  -8.860  14.149
  444   2HB   LEU  57          1HB       LEU  57  -9.002  -9.282  15.352
  445    HG   LEU  57           HG       LEU  57  -7.679 -10.399  13.591
  446   1HD1  LEU  57          1HD1      LEU  57 -10.067  -9.650  11.958
  447   2HD1  LEU  57          3HD1      LEU  57  -8.486  -9.662  11.179
  448   3HD1  LEU  57          2HD1      LEU  57  -9.112 -11.128  11.930
  449   1HD2  LEU  57          2HD2      LEU  57  -8.231  -7.571  13.801
  450   2HD2  LEU  57          1HD2      LEU  57  -6.695  -8.372  13.470
  451   3HD2  LEU  57          3HD2      LEU  57  -7.787  -7.976  12.143
  452    H    LYS  58           HN       LYS  58 -12.459 -11.790  14.846
  453    HA   LYS  58           HA       LYS  58 -13.559 -10.642  17.071
  454   1HB   LYS  58          2HB       LYS  58 -14.007 -12.872  15.452
  455   2HB   LYS  58          1HB       LYS  58 -13.968 -13.531  17.087
  456   1HG   LYS  58          2HG       LYS  58 -15.482 -11.000  16.734
  457   2HG   LYS  58          1HG       LYS  58 -16.191 -12.436  15.995
  458   1HD   LYS  58          2HD       LYS  58 -15.866 -13.612  18.219
  459   2HD   LYS  58          1HD       LYS  58 -15.436 -12.045  18.903
  460   1HE   LYS  58          2HE       LYS  58 -17.688 -11.857  19.288
  461   2HE   LYS  58          1HE       LYS  58 -17.780 -11.462  17.561
  462   1HZ   LYS  58          1HZ       LYS  58 -17.771 -14.243  18.607
  463   2HZ   LYS  58          3HZ       LYS  58 -19.200 -13.388  18.285
  464   3HZ   LYS  58          2HZ       LYS  58 -18.117 -13.735  17.023
  465    HA   PRO  59           HA       PRO  59 -11.491 -14.025  19.953
  466   1HB   PRO  59          2HB       PRO  59  -8.959 -14.570  18.689
  467   2HB   PRO  59          1HB       PRO  59 -10.257 -15.706  19.067
  468   1HG   PRO  59          2HG       PRO  59  -9.501 -14.616  16.484
  469   2HG   PRO  59          1HG       PRO  59 -10.682 -15.878  16.843
  470   1HD   PRO  59          2HD       PRO  59 -11.244 -13.248  15.952
  471   2HD   PRO  59          1HD       PRO  59 -12.426 -14.419  16.578
  472    H    LEU  60           HN       LEU  60  -9.324 -11.971  17.955
  473    HA   LEU  60           HA       LEU  60  -7.590 -11.123  20.033
  474   1HB   LEU  60          2HB       LEU  60  -8.606  -9.745  17.524
  475   2HB   LEU  60          1HB       LEU  60  -7.197  -9.219  18.447
  476    HG   LEU  60           HG       LEU  60  -7.548 -11.923  17.116
  477   1HD1  LEU  60          1HD1      LEU  60  -6.316  -9.358  16.315
  478   2HD1  LEU  60          3HD1      LEU  60  -5.292 -10.775  16.082
  479   3HD1  LEU  60          2HD1      LEU  60  -6.878 -10.697  15.317
  480   1HD2  LEU  60          1HD2      LEU  60  -5.665 -10.864  19.141
  481   2HD2  LEU  60          3HD2      LEU  60  -6.126 -12.531  18.793
  482   3HD2  LEU  60          2HD2      LEU  60  -4.918 -11.723  17.792
  483    H    CYS  61           HN       CYS  61 -10.790  -9.911  19.019
  484    HA   CYS  61           HA       CYS  61 -10.810  -7.526  20.595
  485   1HB   CYS  61          2HB       CYS  61 -12.339  -8.044  18.732
  486   2HB   CYS  61          1HB       CYS  61 -13.028  -9.376  19.658
  487    H    LYS  62           HN       LYS  62 -11.317 -10.902  21.407
  488    HA   LYS  62           HA       LYS  62 -12.186 -10.089  24.164
  489   1HB   LYS  62          2HB       LYS  62 -12.561 -12.619  22.524
  490   2HB   LYS  62          1HB       LYS  62 -13.073 -12.453  24.204
  491   1HG   LYS  62          2HG       LYS  62 -14.466 -10.481  23.528
  492   2HG   LYS  62          1HG       LYS  62 -14.034 -10.801  21.849
  493   1HD   LYS  62          2HD       LYS  62 -16.155 -11.861  22.220
  494   2HD   LYS  62          1HD       LYS  62 -14.953 -13.150  22.181
  495   1HE   LYS  62          2HE       LYS  62 -15.591 -13.782  24.262
  496   2HE   LYS  62          1HE       LYS  62 -15.142 -12.179  24.879
  497   1HZ   LYS  62          2HZ       LYS  62 -17.612 -12.458  23.310
  498   2HZ   LYS  62          1HZ       LYS  62 -17.628 -12.976  24.928
  499   3HZ   LYS  62          3HZ       LYS  62 -17.248 -11.365  24.559
  500    H    GLU  63           HN       GLU  63  -9.407 -10.215  23.057
  501    HA   GLU  63           HA       GLU  63  -8.301 -12.407  24.778
  502   1HB   GLU  63          2HB       GLU  63  -7.891 -11.528  22.043
  503   2HB   GLU  63          1HB       GLU  63  -6.374 -11.482  22.940
  504   1HG   GLU  63          2HG       GLU  63  -7.117 -13.704  21.755
  505   2HG   GLU  63          1HG       GLU  63  -6.398 -13.772  23.366
  506    HA   PRO  64           HA       PRO  64  -6.556  -9.187  27.266
  507   1HB   PRO  64          2HB       PRO  64  -4.377 -10.911  28.015
  508   2HB   PRO  64          1HB       PRO  64  -5.818 -10.512  28.954
  509   1HG   PRO  64          2HG       PRO  64  -5.180 -13.006  27.689
  510   2HG   PRO  64          1HG       PRO  64  -6.636 -12.596  28.599
  511   1HD   PRO  64          2HD       PRO  64  -6.366 -12.970  25.740
  512   2HD   PRO  64          1HD       PRO  64  -7.842 -12.604  26.664
  513    H    ASN  65           HN       ASN  65  -4.708 -11.040  24.903
  514    HA   ASN  65           HA       ASN  65  -2.415  -9.213  24.889
  515   1HB   ASN  65          2HB       ASN  65  -3.339 -11.367  22.957
  516   2HB   ASN  65          1HB       ASN  65  -1.725 -10.657  23.012
  517   1HD2  ASN  65          1HD2      ASN  65  -2.896 -13.497  23.680
  518   2HD2  ASN  65          2HD2      ASN  65  -2.186 -13.856  25.179
  519    H    ALA  66           HN       ALA  66  -5.544  -9.281  23.428
  520    HA   ALA  66           HA       ALA  66  -5.320  -8.117  20.934
  521   1HB   ALA  66          2HB       ALA  66  -7.318  -8.617  22.626
  522   2HB   ALA  66          3HB       ALA  66  -7.524  -7.485  21.289
  523   3HB   ALA  66          1HB       ALA  66  -7.194  -6.882  22.913
  524    H    GLN  67           HN       GLN  67  -4.925  -6.454  24.068
  525    HA   GLN  67           HA       GLN  67  -4.738  -3.786  23.175
  526   1HB   GLN  67          2HB       GLN  67  -4.750  -4.716  25.531
  527   2HB   GLN  67          1HB       GLN  67  -3.047  -5.123  25.309
  528   1HG   GLN  67          2HG       GLN  67  -2.516  -2.767  24.883
  529   2HG   GLN  67          1HG       GLN  67  -4.221  -2.339  25.021
  530   1HE2  GLN  67          1HE2      GLN  67  -2.596  -1.028  26.788
  531   2HE2  GLN  67          2HE2      GLN  67  -2.733  -1.675  28.351
  532    H    GLU  68           HN       GLU  68  -2.176  -6.282  23.356
  533    HA   GLU  68           HA       GLU  68  -0.144  -4.501  22.227
  534   1HB   GLU  68          2HB       GLU  68   0.304  -6.323  23.860
  535   2HB   GLU  68          1HB       GLU  68  -0.240  -7.505  22.670
  536   1HG   GLU  68          2HG       GLU  68   1.547  -6.738  21.123
  537   2HG   GLU  68          1HG       GLU  68   2.114  -5.618  22.362
  538    H    ILE  69           HN       ILE  69  -2.192  -7.175  21.076
  539    HA   ILE  69           HA       ILE  69  -1.052  -7.453  18.467
  540    HB   ILE  69           HB       ILE  69  -3.877  -7.877  19.501
  541   1HG1  ILE  69          2HG1      ILE  69  -1.555  -9.813  19.246
  542   2HG1  ILE  69          1HG1      ILE  69  -2.095  -9.085  20.759
  543   1HG2  ILE  69          3HG2      ILE  69  -2.516  -8.464  16.921
  544   2HG2  ILE  69          2HG2      ILE  69  -3.546  -9.736  17.578
  545   3HG2  ILE  69          1HG2      ILE  69  -4.218  -8.139  17.247
  546   1HD1  ILE  69          3HD1      ILE  69  -4.393 -10.062  20.279
  547   2HD1  ILE  69          2HD1      ILE  69  -3.648 -10.966  18.961
  548   3HD1  ILE  69          1HD1      ILE  69  -3.135 -11.250  20.625
  549    H    LEU  70           HN       LEU  70  -4.014  -5.703  19.477
  550    HA   LEU  70           HA       LEU  70  -4.823  -4.520  17.124
  551   1HB   LEU  70          2HB       LEU  70  -5.983  -4.170  19.196
  552   2HB   LEU  70          1HB       LEU  70  -4.576  -3.404  19.929
  553    HG   LEU  70           HG       LEU  70  -6.519  -1.895  19.041
  554   1HD1  LEU  70          3HD1      LEU  70  -3.900  -1.446  19.580
  555   2HD1  LEU  70          2HD1      LEU  70  -3.947  -0.978  17.880
  556   3HD1  LEU  70          1HD1      LEU  70  -5.005  -0.179  19.044
  557   1HD2  LEU  70          1HD2      LEU  70  -6.244  -3.233  16.758
  558   2HD2  LEU  70          3HD2      LEU  70  -6.676  -1.523  16.761
  559   3HD2  LEU  70          2HD2      LEU  70  -5.008  -2.010  16.463
  560    H    GLN  71           HN       GLN  71  -2.595  -2.788  19.352
  561    HA   GLN  71           HA       GLN  71  -1.807  -0.711  17.672
  562   1HB   GLN  71          2HB       GLN  71  -0.137  -2.355  19.600
  563   2HB   GLN  71          1HB       GLN  71   0.284  -0.742  19.026
  564   1HG   GLN  71          2HG       GLN  71  -1.872   0.105  19.973
  565   2HG   GLN  71          1HG       GLN  71  -2.167  -1.500  20.643
  566   1HE2  GLN  71          1HE2      GLN  71  -1.151  -2.004  22.624
  567   2HE2  GLN  71          2HE2      GLN  71  -0.013  -1.005  23.391
  568    H    ARG  72           HN       ARG  72  -0.129  -3.868  17.959
  569    HA   ARG  72           HA       ARG  72   1.817  -3.483  15.955
  570   1HB   ARG  72          2HB       ARG  72   0.292  -5.934  16.886
  571   2HB   ARG  72          1HB       ARG  72   1.727  -6.013  15.862
  572   1HG   ARG  72          2HG       ARG  72   2.976  -4.722  17.611
  573   2HG   ARG  72          1HG       ARG  72   1.552  -4.820  18.645
  574   1HD   ARG  72          2HD       ARG  72   1.680  -7.338  18.457
  575   2HD   ARG  72          1HD       ARG  72   3.229  -7.135  17.616
  576    HE   ARG  72           HE       ARG  72   2.873  -5.780  20.244
  577   1HH1  ARG  72          1HH1      ARG  72   3.496  -8.902  19.352
  578   2HH1  ARG  72          2HH1      ARG  72   5.098  -8.982  20.006
  579   1HH2  ARG  72          1HH2      ARG  72   5.294  -5.578  20.641
  580   2HH2  ARG  72          2HH2      ARG  72   6.116  -7.099  20.736
  581    H    LEU  73           HN       LEU  73  -1.383  -5.066  15.588
  582    HA   LEU  73           HA       LEU  73  -1.353  -5.559  12.836
  583   1HB   LEU  73          2HB       LEU  73  -3.577  -4.580  14.654
  584   2HB   LEU  73          1HB       LEU  73  -3.842  -5.292  13.063
  585    HG   LEU  73           HG       LEU  73  -2.444  -6.653  15.386
  586   1HD1  LEU  73          3HD1      LEU  73  -5.216  -6.875  14.204
  587   2HD1  LEU  73          2HD1      LEU  73  -4.501  -8.180  15.149
  588   3HD1  LEU  73          1HD1      LEU  73  -4.769  -6.601  15.887
  589   1HD2  LEU  73          3HD2      LEU  73  -2.300  -7.113  12.592
  590   2HD2  LEU  73          2HD2      LEU  73  -1.692  -8.150  13.883
  591   3HD2  LEU  73          1HD2      LEU  73  -3.325  -8.384  13.258
  592    H    GLU  74           HN       GLU  74  -2.556  -2.577  14.428
  593    HA   GLU  74           HA       GLU  74  -3.168  -1.076  12.132
  594   1HB   GLU  74          2HB       GLU  74  -1.924  -0.156  14.745
  595   2HB   GLU  74          1HB       GLU  74  -2.859   0.850  13.638
  596   1HG   GLU  74          2HG       GLU  74  -4.787  -0.741  13.946
  597   2HG   GLU  74          1HG       GLU  74  -3.847  -1.551  15.197
  598    H    GLU  75           HN       GLU  75  -0.015  -1.331  13.831
  599    HA   GLU  75           HA       GLU  75   1.451   0.494  12.236
  600   1HB   GLU  75          2HB       GLU  75   2.134  -0.616  14.377
  601   2HB   GLU  75          1HB       GLU  75   2.363  -2.119  13.483
  602   1HG   GLU  75          2HG       GLU  75   4.012  -0.947  12.017
  603   2HG   GLU  75          1HG       GLU  75   3.833   0.494  13.017
  604    H    ILE  76           HN       ILE  76   1.229  -3.074  11.853
  605    HA   ILE  76           HA       ILE  76   2.687  -3.236   9.413
  606    HB   ILE  76           HB       ILE  76   0.376  -4.918  10.443
  607   1HG1  ILE  76          2HG1      ILE  76   2.059  -4.756  12.158
  608   2HG1  ILE  76          1HG1      ILE  76   2.278  -6.317  11.368
  609   1HG2  ILE  76          2HG2      ILE  76   1.306  -5.162   8.000
  610   2HG2  ILE  76          1HG2      ILE  76   2.688  -5.911   8.798
  611   3HG2  ILE  76          3HG2      ILE  76   1.079  -6.607   8.984
  612   1HD1  ILE  76          1HD1      ILE  76   4.051  -5.330   9.941
  613   2HD1  ILE  76          3HD1      ILE  76   3.848  -3.790  10.777
  614   3HD1  ILE  76          2HD1      ILE  76   4.447  -5.197  11.655
  615    H    ALA  77           HN       ALA  77  -0.745  -2.618  10.055
  616    HA   ALA  77           HA       ALA  77  -1.760  -2.806   7.405
  617   1HB   ALA  77          1HB       ALA  77  -2.822  -2.388   9.800
  618   2HB   ALA  77          2HB       ALA  77  -3.642  -1.796   8.355
  619   3HB   ALA  77          3HB       ALA  77  -2.675  -0.694   9.335
  620    H    GLU  78           HN       GLU  78  -0.032  -0.213   9.074
  621    HA   GLU  78           HA       GLU  78  -0.463   1.910   7.232
  622   1HB   GLU  78          2HB       GLU  78   0.533   2.050   9.510
  623   2HB   GLU  78          1HB       GLU  78   1.978   1.238   8.907
  624   1HG   GLU  78          2HG       GLU  78   2.291   3.080   7.260
  625   2HG   GLU  78          1HG       GLU  78   0.891   3.904   7.948
  626    H    ASP  79           HN       ASP  79   2.002  -0.674   7.262
  627    HA   ASP  79           HA       ASP  79   2.498  -0.133   4.374
  628   1HB   ASP  79          2HB       ASP  79   4.724  -0.438   6.402
  629   2HB   ASP  79          1HB       ASP  79   4.853   0.112   4.731
  630    HA   PRO  80           HA       PRO  80   2.527  -4.512   4.026
  631   1HB   PRO  80          2HB       PRO  80   4.734  -4.519   2.182
  632   2HB   PRO  80          1HB       PRO  80   3.012  -4.652   1.819
  633   1HG   PRO  80          2HG       PRO  80   4.756  -2.410   1.348
  634   2HG   PRO  80          1HG       PRO  80   3.043  -2.560   0.949
  635   1HD   PRO  80          2HD       PRO  80   4.229  -0.936   3.005
  636   2HD   PRO  80          1HD       PRO  80   2.499  -1.135   2.643
  637    H    GLY  81           HN       GLY  81   5.916  -3.305   3.822
  638   1HA   GLY  81          1HA       GLY  81   6.617  -4.704   6.293
  639   2HA   GLY  81          2HA       GLY  81   7.722  -3.783   5.273
  640    H    THR  82           HN       THR  82   7.669  -6.671   6.432
  641    HA   THR  82           HA       THR  82   8.919  -7.903   4.082
  642    HB   THR  82           HB       THR  82   9.495  -9.635   5.708
  643    HG1  THR  82          1HG       THR  82   8.626  -9.328   7.872
  644   1HG2  THR  82          2HG2      THR  82   9.833  -6.761   6.289
  645   2HG2  THR  82          1HG2      THR  82  10.130  -7.830   7.660
  646   3HG2  THR  82          3HG2      THR  82  11.046  -8.036   6.166
  647    H    CYS  83           HN       CYS  83   5.819  -7.975   5.657
  648    HA   CYS  83           HA       CYS  83   4.840 -10.537   4.986
  649   1HB   CYS  83          2HB       CYS  83   3.751  -8.723   6.355
  650   2HB   CYS  83          1HB       CYS  83   3.370  -7.884   4.851
  651    H    GLU  84           HN       GLU  84   4.567  -7.536   3.048
  652    HA   GLU  84           HA       GLU  84   3.383  -8.698   0.746
  653   1HB   GLU  84          2HB       GLU  84   3.570  -6.284   1.338
  654   2HB   GLU  84          1HB       GLU  84   5.292  -6.353   0.968
  655   1HG   GLU  84          2HG       GLU  84   4.706  -7.115  -1.348
  656   2HG   GLU  84          1HG       GLU  84   3.004  -6.868  -0.956
  657    H    ILE  85           HN       ILE  85   6.787  -8.587   1.750
  658    HA   ILE  85           HA       ILE  85   7.622  -9.638  -0.906
  659    HB   ILE  85           HB       ILE  85   9.841  -9.079  -0.143
  660   1HG1  ILE  85          2HG1      ILE  85   8.534  -8.889   2.578
  661   2HG1  ILE  85          1HG1      ILE  85   9.828  -9.980   2.085
  662   1HG2  ILE  85          1HG2      ILE  85   8.362  -7.177  -0.764
  663   2HG2  ILE  85          3HG2      ILE  85   7.899  -7.011   0.929
  664   3HG2  ILE  85          2HG2      ILE  85   9.567  -6.715   0.438
  665   1HD1  ILE  85          3HD1      ILE  85  11.108  -7.754   1.525
  666   2HD1  ILE  85          2HD1      ILE  85   9.940  -7.025   2.626
  667   3HD1  ILE  85          1HD1      ILE  85  11.015  -8.299   3.200
  668    H    CYS  86           HN       CYS  86   6.202 -11.070   1.557
  669    HA   CYS  86           HA       CYS  86   6.246 -13.253   2.459
  670   1HB   CYS  86          2HB       CYS  86   8.044 -13.635   0.045
  671   2HB   CYS  86          1HB       CYS  86   7.182 -14.913   0.902
  672    H    ALA  87           HN       ALA  87   8.658 -11.215   2.857
  673    HA   ALA  87           HA       ALA  87  11.005 -12.782   3.350
  674   1HB   ALA  87          1HB       ALA  87  11.122 -10.678   5.108
  675   2HB   ALA  87          2HB       ALA  87   9.912 -10.105   3.961
  676   3HB   ALA  87          3HB       ALA  87  11.519 -10.557   3.394
  677    H    TYR  88           HN       TYR  88   7.994 -12.680   4.975
  678    HA   TYR  88           HA       TYR  88   9.094 -14.366   7.161
  679   1HB   TYR  88          2HB       TYR  88   7.877 -11.632   7.387
  680   2HB   TYR  88          1HB       TYR  88   7.591 -12.796   8.681
  681    HD1  TYR  88           HD1      TYR  88   9.530 -13.810   9.901
  682    HD2  TYR  88           HD2      TYR  88  10.025 -10.620   7.072
  683    HE1  TYR  88           HE1      TYR  88  11.794 -13.357  10.807
  684    HE2  TYR  88           HE2      TYR  88  12.287 -10.165   7.976
  685    HH   TYR  88           HH       TYR  88  13.346 -10.977  10.765
  686    H    ALA  89           HN       ALA  89   7.152 -15.154   8.552
  687    HA   ALA  89           HA       ALA  89   5.159 -16.308   6.765
  688   1HB   ALA  89          1HB       ALA  89   6.327 -17.244   8.889
  689   2HB   ALA  89          3HB       ALA  89   5.121 -16.317   9.784
  690   3HB   ALA  89          2HB       ALA  89   4.610 -17.591   8.677
  691    H    ALA  90           HN       ALA  90   5.345 -13.254   7.984
  692    HA   ALA  90           HA       ALA  90   2.805 -12.750   9.177
  693   1HB   ALA  90          1HB       ALA  90   4.996 -11.260   7.848
  694   2HB   ALA  90          2HB       ALA  90   4.202 -10.949   9.392
  695   3HB   ALA  90          3HB       ALA  90   3.439 -10.435   7.887
  696    H    CYS  91           HN       CYS  91   3.793 -12.953   5.773
  697    HA   CYS  91           HA       CYS  91   0.993 -12.307   4.945
  698   1HB   CYS  91          2HB       CYS  91   3.652 -11.717   4.001
  699   2HB   CYS  91          1HB       CYS  91   2.751 -12.551   2.735
  700    H    THR  92           HN       THR  92  -0.279 -14.002   4.333
  701    HA   THR  92           HA       THR  92   1.045 -16.591   3.607
  702    HB   THR  92           HB       THR  92  -0.976 -17.612   4.452
  703    HG1  THR  92          1HG       THR  92  -1.940 -15.037   4.066
  704   1HG2  THR  92          2HG2      THR  92  -0.088 -15.284   6.173
  705   2HG2  THR  92          1HG2      THR  92  -1.101 -16.607   6.752
  706   3HG2  THR  92          3HG2      THR  92   0.544 -16.931   6.205
  707    H    GLY  93           HN       GLY  93   0.211 -17.740   1.755
  708   1HA   GLY  93          1HA       GLY  93  -1.697 -16.263   0.019
  709   2HA   GLY  93          2HA       GLY  93  -1.250 -17.958  -0.166
  710    H    CYS  94           HN       CYS  94   1.317 -15.728   0.455
  711    HA   CYS  94           HA       CYS  94   1.914 -14.937  -2.248
  712   1HB   CYS  94          2HB       CYS  94   2.702 -14.055   0.075
  713   2HB   CYS  94          1HB       CYS  94   3.924 -15.323  -0.030

  No H/Q in entry =         713
  Start of MODEL   12
    1    H1   VAL   1          3H        VAL   1  -3.099 -11.582  -0.006
    2    H2   VAL   1          2H        VAL   1  -1.874 -12.363  -0.885
    3    H3   VAL   1          1H        VAL   1  -2.723 -13.201   0.323
    4    HA   VAL   1           HA       VAL   1  -0.751 -12.681   1.409
    5    HB   VAL   1           HB       VAL   1   0.152 -10.284   1.022
    6   1HG1  VAL   1          2HG1      VAL   1   0.883 -12.530  -0.072
    7   2HG1  VAL   1          1HG1      VAL   1   0.029 -11.935  -1.497
    8   3HG1  VAL   1          3HG1      VAL   1   1.390 -11.026  -0.840
    9   1HG2  VAL   1          1HG2      VAL   1  -2.278  -9.905  -0.166
   10   2HG2  VAL   1          3HG2      VAL   1  -0.851  -8.927  -0.513
   11   3HG2  VAL   1          2HG2      VAL   1  -1.274 -10.276  -1.569
   12    H    THR   2           HN       THR   2  -1.875 -12.742   3.386
   13    HA   THR   2           HA       THR   2  -3.131 -10.161   4.265
   14    HB   THR   2           HB       THR   2  -4.635 -12.171   3.796
   15    HG1  THR   2          1HG       THR   2  -5.553 -11.949   6.055
   16   1HG2  THR   2          2HG2      THR   2  -2.767 -13.644   5.009
   17   2HG2  THR   2          1HG2      THR   2  -3.759 -13.278   6.422
   18   3HG2  THR   2          3HG2      THR   2  -4.470 -14.105   5.036
   19    H    VAL   3           HN       VAL   3  -3.005  -9.791   6.612
   20    HA   VAL   3           HA       VAL   3  -0.410 -10.689   7.731
   21    HB   VAL   3           HB       VAL   3  -2.498  -8.638   8.536
   22   1HG1  VAL   3          3HG1      VAL   3  -0.226  -9.772   9.991
   23   2HG1  VAL   3          2HG1      VAL   3  -0.116  -8.020   9.823
   24   3HG1  VAL   3          1HG1      VAL   3  -1.534  -8.746  10.580
   25   1HG2  VAL   3          3HG2      VAL   3  -1.115  -8.239   6.452
   26   2HG2  VAL   3          2HG2      VAL   3  -0.921  -7.016   7.707
   27   3HG2  VAL   3          1HG2      VAL   3   0.316  -8.253   7.483
   28    H    GLN   4           HN       GLN   4  -0.422 -12.479   9.048
   29    HA   GLN   4           HA       GLN   4  -2.962 -13.152  10.485
   30   1HB   GLN   4          2HB       GLN   4  -0.564 -14.886   9.826
   31   2HB   GLN   4          1HB       GLN   4  -2.142 -15.434  10.391
   32   1HG   GLN   4          2HG       GLN   4  -3.060 -14.220   8.276
   33   2HG   GLN   4          1HG       GLN   4  -1.393 -14.295   7.706
   34   1HE2  GLN   4          1HE2      GLN   4  -3.761 -15.803   6.649
   35   2HE2  GLN   4          2HE2      GLN   4  -3.362 -17.447   6.798
   36    H    ASP   5           HN       ASP   5  -2.938 -13.204  12.706
   37    HA   ASP   5           HA       ASP   5  -0.337 -12.661  14.080
   38   1HB   ASP   5          2HB       ASP   5  -3.242 -12.325  14.902
   39   2HB   ASP   5          1HB       ASP   5  -1.859 -11.884  15.905
   40    H    GLY   6           HN       GLY   6  -1.939 -15.275  13.161
   41   1HA   GLY   6          1HA       GLY   6  -2.509 -16.751  15.542
   42   2HA   GLY   6          2HA       GLY   6  -0.842 -17.064  15.052
   43    H    ASN   7           HN       ASN   7  -3.660 -18.522  14.884
   44    HA   ASN   7           HA       ASN   7  -3.018 -19.875  12.335
   45   1HB   ASN   7          2HB       ASN   7  -5.050 -20.358  14.536
   46   2HB   ASN   7          1HB       ASN   7  -4.770 -21.451  13.181
   47   1HD2  ASN   7          1HD2      ASN   7  -4.317 -22.368  15.821
   48   2HD2  ASN   7          2HD2      ASN   7  -2.650 -22.578  16.058
   49    H    PHE   8           HN       PHE   8  -4.610 -17.108  12.887
   50    HA   PHE   8           HA       PHE   8  -6.873 -17.756  11.025
   51   1HB   PHE   8          2HB       PHE   8  -6.505 -15.548  13.078
   52   2HB   PHE   8          1HB       PHE   8  -7.943 -15.778  12.084
   53    HD1  PHE   8           HD1      PHE   8  -9.397 -17.754  12.404
   54    HD2  PHE   8           HD2      PHE   8  -6.014 -17.010  14.946
   55    HE1  PHE   8           HE1      PHE   8 -10.269 -19.394  14.047
   56    HE2  PHE   8           HE2      PHE   8  -6.886 -18.651  16.588
   57    HZ   PHE   8           HZ       PHE   8  -9.014 -19.844  16.138
   58    H    SER   9           HN       SER   9  -7.300 -16.193   9.327
   59    HA   SER   9           HA       SER   9  -4.872 -14.648   8.514
   60   1HB   SER   9          2HB       SER   9  -5.718 -14.955   6.278
   61   2HB   SER   9          1HB       SER   9  -5.902 -16.502   7.101
   62    HG   SER   9           HG       SER   9  -7.813 -14.704   6.236
   63    H    PHE  10           HN       PHE  10  -5.001 -12.455   8.818
   64    HA   PHE  10           HA       PHE  10  -7.722 -11.186   8.811
   65   1HB   PHE  10          2HB       PHE  10  -5.168 -10.429  10.267
   66   2HB   PHE  10          1HB       PHE  10  -6.716  -9.595  10.413
   67    HD1  PHE  10           HD1      PHE  10  -8.414 -12.196  10.218
   68    HD2  PHE  10           HD2      PHE  10  -5.018 -11.079  12.602
   69    HE1  PHE  10           HE1      PHE  10  -9.116 -13.801  11.974
   70    HE2  PHE  10           HE2      PHE  10  -5.721 -12.684  14.355
   71    HZ   PHE  10           HZ       PHE  10  -7.770 -14.045  14.042
   72    H    SER  11           HN       SER  11  -8.031  -9.688   7.203
   73    HA   SER  11           HA       SER  11  -5.951  -9.031   5.304
   74   1HB   SER  11          2HB       SER  11  -8.672  -7.787   5.831
   75   2HB   SER  11          1HB       SER  11  -7.741  -7.640   4.340
   76    HG   SER  11           HG       SER  11  -9.431  -9.545   5.015
   77    H    LEU  12           HN       LEU  12  -5.337  -6.716   4.818
   78    HA   LEU  12           HA       LEU  12  -4.663  -5.298   7.342
   79   1HB   LEU  12          2HB       LEU  12  -3.775  -4.991   4.455
   80   2HB   LEU  12          1HB       LEU  12  -3.094  -4.101   5.817
   81    HG   LEU  12           HG       LEU  12  -2.600  -6.387   6.868
   82   1HD1  LEU  12          1HD1      LEU  12  -3.591  -7.156   4.149
   83   2HD1  LEU  12          3HD1      LEU  12  -2.267  -8.085   4.851
   84   3HD1  LEU  12          2HD1      LEU  12  -3.811  -7.977   5.695
   85   1HD2  LEU  12          3HD2      LEU  12  -0.872  -4.947   5.821
   86   2HD2  LEU  12          2HD2      LEU  12  -0.537  -6.658   5.558
   87   3HD2  LEU  12          1HD2      LEU  12  -1.221  -5.684   4.257
   88    H    GLU  13           HN       GLU  13  -6.986  -5.155   4.876
   89    HA   GLU  13           HA       GLU  13  -7.272  -2.295   4.580
   90   1HB   GLU  13          2HB       GLU  13  -8.089  -4.096   3.032
   91   2HB   GLU  13          1HB       GLU  13  -9.315  -4.508   4.230
   92   1HG   GLU  13          2HG       GLU  13 -10.166  -2.168   4.115
   93   2HG   GLU  13          1HG       GLU  13  -8.987  -1.826   2.850
   94    H    SER  14           HN       SER  14  -9.666  -4.489   6.098
   95    HA   SER  14           HA       SER  14 -11.172  -2.644   7.500
   96   1HB   SER  14          2HB       SER  14 -10.224  -5.260   8.687
   97   2HB   SER  14          1HB       SER  14 -11.793  -4.485   8.899
   98    HG   SER  14           HG       SER  14 -11.800  -6.215   7.362
   99    H    VAL  15           HN       VAL  15  -8.180  -4.191   8.740
  100    HA   VAL  15           HA       VAL  15  -8.115  -2.846  11.241
  101    HB   VAL  15           HB       VAL  15  -5.638  -3.403  11.043
  102   1HG1  VAL  15          2HG1      VAL  15  -7.807  -4.961  11.552
  103   2HG1  VAL  15          1HG1      VAL  15  -7.105  -5.834  10.186
  104   3HG1  VAL  15          3HG1      VAL  15  -6.146  -5.552  11.639
  105   1HG2  VAL  15          1HG2      VAL  15  -6.528  -3.767   8.254
  106   2HG2  VAL  15          3HG2      VAL  15  -4.909  -3.480   8.891
  107   3HG2  VAL  15          2HG2      VAL  15  -5.582  -5.111   8.893
  108    H    LYS  16           HN       LYS  16  -6.566  -1.931   8.126
  109    HA   LYS  16           HA       LYS  16  -5.314   0.457   9.021
  110   1HB   LYS  16          2HB       LYS  16  -4.891  -0.514   6.836
  111   2HB   LYS  16          1HB       LYS  16  -6.589  -0.349   6.385
  112   1HG   LYS  16          2HG       LYS  16  -6.319   2.155   6.688
  113   2HG   LYS  16          1HG       LYS  16  -4.584   1.875   6.847
  114   1HD   LYS  16          2HD       LYS  16  -4.486   0.896   4.625
  115   2HD   LYS  16          1HD       LYS  16  -6.241   0.977   4.471
  116   1HE   LYS  16          2HE       LYS  16  -5.011   3.570   5.139
  117   2HE   LYS  16          1HE       LYS  16  -4.510   2.923   3.564
  118   1HZ   LYS  16          3HZ       LYS  16  -7.324   2.643   4.309
  119   2HZ   LYS  16          2HZ       LYS  16  -6.797   4.202   3.888
  120   3HZ   LYS  16          1HZ       LYS  16  -6.634   2.922   2.784
  121    H    LYS  17           HN       LYS  17  -8.511   0.090   7.439
  122    HA   LYS  17           HA       LYS  17  -9.314   2.813   8.172
  123   1HB   LYS  17          2HB       LYS  17  -9.935   1.495   6.082
  124   2HB   LYS  17          1HB       LYS  17 -10.961   0.497   7.110
  125   1HG   LYS  17          2HG       LYS  17 -12.426   2.159   6.282
  126   2HG   LYS  17          1HG       LYS  17 -12.003   2.731   7.896
  127   1HD   LYS  17          2HD       LYS  17 -10.335   4.240   6.978
  128   2HD   LYS  17          1HD       LYS  17 -10.584   3.588   5.358
  129   1HE   LYS  17          2HE       LYS  17 -13.088   4.488   6.591
  130   2HE   LYS  17          1HE       LYS  17 -11.904   5.795   6.405
  131   1HZ   LYS  17          3HZ       LYS  17 -11.515   4.967   4.114
  132   2HZ   LYS  17          2HZ       LYS  17 -12.802   3.876   4.315
  133   3HZ   LYS  17          1HZ       LYS  17 -13.091   5.550   4.347
  134    H    LEU  18           HN       LEU  18  -8.810   0.279  10.079
  135    HA   LEU  18           HA       LEU  18 -11.179  -0.364  11.461
  136   1HB   LEU  18          2HB       LEU  18  -8.953  -1.423  11.669
  137   2HB   LEU  18          1HB       LEU  18  -8.337   0.028  12.456
  138    HG   LEU  18           HG       LEU  18  -9.911  -0.279  14.309
  139   1HD1  LEU  18          3HD1      LEU  18 -11.227  -1.950  12.390
  140   2HD1  LEU  18          2HD1      LEU  18 -10.824  -2.931  13.799
  141   3HD1  LEU  18          1HD1      LEU  18 -11.794  -1.471  13.990
  142   1HD2  LEU  18          2HD2      LEU  18  -7.654  -1.678  13.949
  143   2HD2  LEU  18          1HD2      LEU  18  -8.691  -1.948  15.349
  144   3HD2  LEU  18          3HD2      LEU  18  -8.787  -3.031  13.960
  145    H    LYS  19           HN       LYS  19  -8.881   2.326  12.063
  146    HA   LYS  19           HA       LYS  19 -10.118   3.399  14.375
  147   1HB   LYS  19          2HB       LYS  19  -7.917   4.032  13.385
  148   2HB   LYS  19          1HB       LYS  19  -8.770   4.860  12.082
  149   1HG   LYS  19          2HG       LYS  19  -9.862   6.336  13.733
  150   2HG   LYS  19          1HG       LYS  19  -9.015   5.505  15.037
  151   1HD   LYS  19          2HD       LYS  19  -6.844   6.161  13.975
  152   2HD   LYS  19          1HD       LYS  19  -7.751   7.096  12.786
  153   1HE   LYS  19          2HE       LYS  19  -7.844   8.829  14.243
  154   2HE   LYS  19          1HE       LYS  19  -8.704   7.801  15.405
  155   1HZ   LYS  19          3HZ       LYS  19  -6.293   6.790  15.652
  156   2HZ   LYS  19          2HZ       LYS  19  -5.834   8.351  15.162
  157   3HZ   LYS  19          1HZ       LYS  19  -6.778   8.138  16.559
  158    H    ASP  20           HN       ASP  20 -10.737   4.164  10.934
  159    HA   ASP  20           HA       ASP  20 -13.188   5.662  11.768
  160   1HB   ASP  20          2HB       ASP  20 -11.430   6.770  10.380
  161   2HB   ASP  20          1HB       ASP  20 -11.689   5.553   9.130
  162    H    LEU  21           HN       LEU  21 -15.099   4.558  11.536
  163    HA   LEU  21           HA       LEU  21 -15.226   2.025  10.086
  164   1HB   LEU  21          2HB       LEU  21 -17.327   3.779  11.403
  165   2HB   LEU  21          1HB       LEU  21 -17.582   2.112  10.881
  166    HG   LEU  21           HG       LEU  21 -15.437   2.941  12.855
  167   1HD1  LEU  21          1HD1      LEU  21 -18.229   2.859  13.263
  168   2HD1  LEU  21          3HD1      LEU  21 -17.598   1.370  13.966
  169   3HD1  LEU  21          2HD1      LEU  21 -16.976   2.931  14.503
  170   1HD2  LEU  21          3HD2      LEU  21 -16.255   0.442  11.524
  171   2HD2  LEU  21          2HD2      LEU  21 -14.719   0.863  12.283
  172   3HD2  LEU  21          1HD2      LEU  21 -16.065   0.300  13.272
  173    H    GLN  22           HN       GLN  22 -16.071   1.701   8.036
  174    HA   GLN  22           HA       GLN  22 -16.869   4.143   6.506
  175   1HB   GLN  22          2HB       GLN  22 -14.918   2.813   5.754
  176   2HB   GLN  22          1HB       GLN  22 -15.948   1.388   5.625
  177   1HG   GLN  22          2HG       GLN  22 -17.328   2.516   3.935
  178   2HG   GLN  22          1HG       GLN  22 -16.344   3.972   4.086
  179   1HE2  GLN  22          1HE2      GLN  22 -14.125   1.573   4.489
  180   2HE2  GLN  22          2HE2      GLN  22 -13.652   1.330   2.878
  181    H    GLU  23           HN       GLU  23 -19.042   4.365   6.173
  182    HA   GLU  23           HA       GLU  23 -21.072   2.570   6.872
  183   1HB   GLU  23          2HB       GLU  23 -20.712   4.973   5.234
  184   2HB   GLU  23          1HB       GLU  23 -22.049   3.967   4.677
  185   1HG   GLU  23          2HG       GLU  23 -23.215   5.080   6.295
  186   2HG   GLU  23          1HG       GLU  23 -22.468   3.893   7.364
  187    HA   PRO  24           HA       PRO  24 -21.145   1.059   2.231
  188   1HB   PRO  24          2HB       PRO  24 -18.473   1.463   1.240
  189   2HB   PRO  24          1HB       PRO  24 -19.978   2.157   0.633
  190   1HG   PRO  24          2HG       PRO  24 -17.878   3.472   2.103
  191   2HG   PRO  24          1HG       PRO  24 -19.360   4.177   1.453
  192   1HD   PRO  24          2HD       PRO  24 -18.720   3.691   4.207
  193   2HD   PRO  24          1HD       PRO  24 -20.247   4.319   3.547
  194    H    GLN  25           HN       GLN  25 -20.536  -1.107   1.699
  195    HA   GLN  25           HA       GLN  25 -18.988  -2.508   3.764
  196   1HB   GLN  25          2HB       GLN  25 -20.409  -3.405   1.236
  197   2HB   GLN  25          1HB       GLN  25 -19.794  -4.486   2.486
  198   1HG   GLN  25          2HG       GLN  25 -21.286  -3.472   4.140
  199   2HG   GLN  25          1HG       GLN  25 -21.853  -2.305   2.944
  200   1HE2  GLN  25          1HE2      GLN  25 -23.681  -4.096   4.221
  201   2HE2  GLN  25          2HE2      GLN  25 -24.259  -5.195   3.063
  202    H    GLU  26           HN       GLU  26 -17.174  -0.867   2.539
  203    HA   GLU  26           HA       GLU  26 -15.120  -0.875   1.365
  204   1HB   GLU  26          2HB       GLU  26 -15.700  -3.679   2.246
  205   2HB   GLU  26          1HB       GLU  26 -14.313  -3.411   1.191
  206   1HG   GLU  26          2HG       GLU  26 -13.114  -2.634   2.928
  207   2HG   GLU  26          1HG       GLU  26 -14.327  -1.389   3.229
  208    HA   PRO  27           HA       PRO  27 -17.484  -1.966  -2.537
  209   1HB   PRO  27          2HB       PRO  27 -16.664   0.623  -3.493
  210   2HB   PRO  27          1HB       PRO  27 -18.296   0.073  -3.107
  211   1HG   PRO  27          2HG       PRO  27 -16.676   1.932  -1.642
  212   2HG   PRO  27          1HG       PRO  27 -18.296   1.359  -1.240
  213   1HD   PRO  27          2HD       PRO  27 -15.796   0.696   0.061
  214   2HD   PRO  27          1HD       PRO  27 -17.435   0.155   0.494
  215    H    ARG  28           HN       ARG  28 -16.449  -2.519  -4.543
  216    HA   ARG  28           HA       ARG  28 -14.580  -3.290  -5.788
  217   1HB   ARG  28          2HB       ARG  28 -13.843  -0.462  -4.971
  218   2HB   ARG  28          1HB       ARG  28 -13.009  -1.369  -6.234
  219   1HG   ARG  28          2HG       ARG  28 -15.224  -1.650  -7.395
  220   2HG   ARG  28          1HG       ARG  28 -15.934  -0.571  -6.195
  221   1HD   ARG  28          2HD       ARG  28 -13.653   0.134  -8.081
  222   2HD   ARG  28          1HD       ARG  28 -15.323   0.720  -8.198
  223    HE   ARG  28           HE       ARG  28 -14.842   1.534  -5.732
  224   1HH1  ARG  28          1HH1      ARG  28 -13.960   3.196  -8.206
  225   2HH1  ARG  28          2HH1      ARG  28 -12.379   3.686  -7.694
  226   1HH2  ARG  28          1HH2      ARG  28 -12.209   1.375  -5.114
  227   2HH2  ARG  28          2HH2      ARG  28 -11.387   2.654  -5.944
  228    H    VAL  29           HN       VAL  29 -11.896  -2.989  -5.582
  229    HA   VAL  29           HA       VAL  29 -11.266  -3.884  -2.786
  230    HB   VAL  29           HB       VAL  29 -11.259  -5.641  -4.555
  231   1HG1  VAL  29          3HG1      VAL  29 -10.643  -4.133  -6.431
  232   2HG1  VAL  29          2HG1      VAL  29  -9.028  -3.962  -5.743
  233   3HG1  VAL  29          1HG1      VAL  29  -9.572  -5.531  -6.337
  234   1HG2  VAL  29          2HG2      VAL  29  -8.534  -4.877  -3.460
  235   2HG2  VAL  29          1HG2      VAL  29  -9.741  -5.875  -2.647
  236   3HG2  VAL  29          3HG2      VAL  29  -8.950  -6.463  -4.110
  237    H    GLY  30           HN       GLY  30  -9.566  -2.833  -1.787
  238   1HA   GLY  30          1HA       GLY  30  -8.253  -0.814  -1.563
  239   2HA   GLY  30          2HA       GLY  30  -8.225  -0.672  -3.321
  240    H    LYS  31           HN       LYS  31  -6.637  -1.817  -4.487
  241    HA   LYS  31           HA       LYS  31  -4.990  -3.909  -3.481
  242   1HB   LYS  31          2HB       LYS  31  -4.537  -1.774  -5.588
  243   2HB   LYS  31          1HB       LYS  31  -3.537  -3.216  -5.409
  244   1HG   LYS  31          2HG       LYS  31  -5.581  -4.620  -5.714
  245   2HG   LYS  31          1HG       LYS  31  -6.510  -3.150  -6.008
  246   1HD   LYS  31          2HD       LYS  31  -4.980  -2.611  -7.907
  247   2HD   LYS  31          1HD       LYS  31  -4.159  -4.150  -7.645
  248   1HE   LYS  31          2HE       LYS  31  -5.778  -5.273  -8.772
  249   2HE   LYS  31          1HE       LYS  31  -7.054  -4.502  -7.810
  250   1HZ   LYS  31          3HZ       LYS  31  -6.434  -2.423  -9.170
  251   2HZ   LYS  31          2HZ       LYS  31  -5.722  -3.517 -10.258
  252   3HZ   LYS  31          1HZ       LYS  31  -7.384  -3.612  -9.918
  253    H    LEU  32           HN       LEU  32  -4.716  -0.395  -3.218
  254    HA   LEU  32           HA       LEU  32  -2.021  -0.605  -1.997
  255   1HB   LEU  32          2HB       LEU  32  -3.824   1.772  -2.553
  256   2HB   LEU  32          1HB       LEU  32  -2.106   1.838  -2.160
  257    HG   LEU  32           HG       LEU  32  -3.337   0.551  -4.617
  258   1HD1  LEU  32          3HD1      LEU  32  -1.767   3.081  -4.116
  259   2HD1  LEU  32          2HD1      LEU  32  -1.820   2.330  -5.711
  260   3HD1  LEU  32          1HD1      LEU  32  -3.308   2.897  -4.954
  261   1HD2  LEU  32          2HD2      LEU  32  -0.684   0.332  -3.326
  262   2HD2  LEU  32          1HD2      LEU  32  -1.481  -0.765  -4.454
  263   3HD2  LEU  32          3HD2      LEU  32  -0.645   0.666  -5.056
  264    H    ARG  33           HN       ARG  33  -1.675  -0.399   0.201
  265    HA   ARG  33           HA       ARG  33  -3.943   0.496   1.932
  266   1HB   ARG  33          2HB       ARG  33  -2.268  -2.020   2.242
  267   2HB   ARG  33          1HB       ARG  33  -3.504  -1.475   3.376
  268   1HG   ARG  33          2HG       ARG  33  -5.190  -1.600   1.542
  269   2HG   ARG  33          1HG       ARG  33  -3.943  -2.245   0.475
  270   1HD   ARG  33          2HD       ARG  33  -3.595  -4.112   2.160
  271   2HD   ARG  33          1HD       ARG  33  -5.040  -3.520   3.003
  272    HE   ARG  33           HE       ARG  33  -6.226  -3.813   0.751
  273   1HH1  ARG  33          1HH1      ARG  33  -3.378  -4.674  -0.326
  274   2HH1  ARG  33          2HH1      ARG  33  -3.676  -6.364  -0.563
  275   1HH2  ARG  33          1HH2      ARG  33  -6.619  -6.373   1.271
  276   2HH2  ARG  33          2HH2      ARG  33  -5.510  -7.326   0.341
  277    H    ASN  34           HN       ASN  34  -2.850   2.404   2.574
  278    HA   ASN  34           HA       ASN  34  -0.382   1.958   4.199
  279   1HB   ASN  34          2HB       ASN  34  -0.849   4.105   2.105
  280   2HB   ASN  34          1HB       ASN  34   0.585   3.973   3.124
  281   1HD2  ASN  34          1HD2      ASN  34   0.047   3.571   0.059
  282   2HD2  ASN  34          2HD2      ASN  34   0.819   2.096  -0.273
  283    H    PHE  35           HN       PHE  35   0.097   4.154   5.417
  284    HA   PHE  35           HA       PHE  35  -0.644   5.751   6.991
  285   1HB   PHE  35          2HB       PHE  35  -1.587   6.655   4.836
  286   2HB   PHE  35          1HB       PHE  35  -3.084   5.791   5.187
  287    HD1  PHE  35           HD1      PHE  35  -0.800   8.466   6.369
  288    HD2  PHE  35           HD2      PHE  35  -4.634   6.586   6.837
  289    HE1  PHE  35           HE1      PHE  35  -1.536  10.332   7.827
  290    HE2  PHE  35           HE2      PHE  35  -5.370   8.453   8.295
  291    HZ   PHE  35           HZ       PHE  35  -3.821  10.326   8.790
  292    H    ALA  36           HN       ALA  36  -0.876   3.447   8.170
  293    HA   ALA  36           HA       ALA  36  -3.626   2.610   8.734
  294   1HB   ALA  36          3HB       ALA  36  -2.416   0.770   9.226
  295   2HB   ALA  36          1HB       ALA  36  -1.766   1.607  10.636
  296   3HB   ALA  36          2HB       ALA  36  -0.921   1.692   9.092
  297    HA   PRO  37           HA       PRO  37  -4.577   4.989  12.294
  298   1HB   PRO  37          2HB       PRO  37  -4.940   2.786  14.108
  299   2HB   PRO  37          1HB       PRO  37  -6.175   3.689  13.230
  300   1HG   PRO  37          2HG       PRO  37  -5.309   1.001  12.761
  301   2HG   PRO  37          1HG       PRO  37  -6.509   1.921  11.851
  302   1HD   PRO  37          2HD       PRO  37  -3.824   1.178  11.038
  303   2HD   PRO  37          1HD       PRO  37  -5.064   2.033  10.091
  304    H    ILE  38           HN       ILE  38  -1.871   2.929  12.284
  305    HA   ILE  38           HA       ILE  38   0.173   3.074  13.469
  306    HB   ILE  38           HB       ILE  38  -1.097   5.386  14.945
  307   1HG1  ILE  38          2HG1      ILE  38   0.283   6.342  12.667
  308   2HG1  ILE  38          1HG1      ILE  38  -0.801   5.076  12.091
  309   1HG2  ILE  38          1HG2      ILE  38   1.240   4.493  15.476
  310   2HG2  ILE  38          3HG2      ILE  38   1.712   5.057  13.872
  311   3HG2  ILE  38          2HG2      ILE  38   1.141   6.209  15.080
  312   1HD1  ILE  38          3HD1      ILE  38  -2.000   6.898  14.081
  313   2HD1  ILE  38          2HD1      ILE  38  -1.563   7.669  12.557
  314   3HD1  ILE  38          1HD1      ILE  38  -2.666   6.293  12.564
  315    HA   PRO  39           HA       PRO  39  -0.928   0.590  16.971
  316   1HB   PRO  39          2HB       PRO  39   1.733   0.865  18.026
  317   2HB   PRO  39          1HB       PRO  39   1.044  -0.507  17.155
  318   1HG   PRO  39          2HG       PRO  39   2.993   1.384  16.215
  319   2HG   PRO  39          1HG       PRO  39   2.311   0.007  15.348
  320   1HD   PRO  39          2HD       PRO  39   1.802   2.811  14.894
  321   2HD   PRO  39          1HD       PRO  39   1.103   1.422  14.029
  322    H    GLY  40           HN       GLY  40  -0.895   0.808  19.401
  323   1HA   GLY  40          1HA       GLY  40  -0.436   3.607  20.322
  324   2HA   GLY  40          2HA       GLY  40  -0.506   2.197  21.379
  325    H    GLU  41           HN       GLU  41  -2.889   1.783  19.123
  326    HA   GLU  41           HA       GLU  41  -4.938   2.982  20.952
  327   1HB   GLU  41          2HB       GLU  41  -4.249   3.655  18.249
  328   2HB   GLU  41          1HB       GLU  41  -5.867   2.953  18.253
  329   1HG   GLU  41          2HG       GLU  41  -6.655   4.560  19.847
  330   2HG   GLU  41          1HG       GLU  41  -5.019   5.116  20.193
  331    HA   PRO  42           HA       PRO  42  -5.577  -1.585  20.199
  332   1HB   PRO  42          2HB       PRO  42  -6.503  -1.663  22.922
  333   2HB   PRO  42          1HB       PRO  42  -5.039  -2.386  22.251
  334   1HG   PRO  42          2HG       PRO  42  -5.246  -0.103  23.982
  335   2HG   PRO  42          1HG       PRO  42  -3.782  -0.824  23.309
  336   1HD   PRO  42          2HD       PRO  42  -5.017   1.685  22.586
  337   2HD   PRO  42          1HD       PRO  42  -3.539   0.960  21.909
  338    H    VAL  43           HN       VAL  43  -7.630  -2.445  19.718
  339    HA   VAL  43           HA       VAL  43  -9.958  -0.649  20.275
  340    HB   VAL  43           HB       VAL  43 -10.891  -1.635  18.242
  341   1HG1  VAL  43          1HG1      VAL  43  -9.122   0.192  18.113
  342   2HG1  VAL  43          3HG1      VAL  43  -7.957  -1.078  17.740
  343   3HG1  VAL  43          2HG1      VAL  43  -9.310  -0.776  16.652
  344   1HG2  VAL  43          1HG2      VAL  43  -9.338  -3.829  18.935
  345   2HG2  VAL  43          3HG2      VAL  43 -10.229  -3.641  17.425
  346   3HG2  VAL  43          2HG2      VAL  43  -8.524  -3.194  17.505
  347    H    VAL  44           HN       VAL  44  -9.227  -2.304  22.372
  348    HA   VAL  44           HA       VAL  44 -11.579  -4.104  22.520
  349    HB   VAL  44           HB       VAL  44  -8.698  -4.986  22.879
  350   1HG1  VAL  44          1HG1      VAL  44 -11.060  -5.939  24.117
  351   2HG1  VAL  44          3HG1      VAL  44 -10.646  -7.109  22.864
  352   3HG1  VAL  44          2HG1      VAL  44  -9.470  -6.702  24.114
  353   1HG2  VAL  44          2HG2      VAL  44 -10.797  -5.413  20.768
  354   2HG2  VAL  44          1HG2      VAL  44  -9.088  -5.027  20.571
  355   3HG2  VAL  44          3HG2      VAL  44  -9.575  -6.652  21.053
  356    HA   PRO  45           HA       PRO  45  -9.950  -1.792  26.408
  357   1HB   PRO  45          2HB       PRO  45 -12.403  -0.294  26.408
  358   2HB   PRO  45          1HB       PRO  45 -10.759   0.314  26.203
  359   1HG   PRO  45          2HG       PRO  45 -12.824   0.075  24.212
  360   2HG   PRO  45          1HG       PRO  45 -11.192   0.718  24.016
  361   1HD   PRO  45          2HD       PRO  45 -12.229  -1.772  23.010
  362   2HD   PRO  45          1HD       PRO  45 -10.572  -1.142  22.864
  363    H    ILE  46           HN       ILE  46 -13.482  -2.029  25.875
  364    HA   ILE  46           HA       ILE  46 -13.687  -3.699  28.342
  365    HB   ILE  46           HB       ILE  46 -15.723  -2.157  26.698
  366   1HG1  ILE  46          2HG1      ILE  46 -14.517  -1.519  29.406
  367   2HG1  ILE  46          1HG1      ILE  46 -13.992  -0.784  27.892
  368   1HG2  ILE  46          1HG2      ILE  46 -15.925  -3.991  29.024
  369   2HG2  ILE  46          3HG2      ILE  46 -16.846  -2.491  29.144
  370   3HG2  ILE  46          2HG2      ILE  46 -17.125  -3.593  27.796
  371   1HD1  ILE  46          1HD1      ILE  46 -16.913  -0.731  28.487
  372   2HD1  ILE  46          3HD1      ILE  46 -15.880   0.337  29.436
  373   3HD1  ILE  46          2HD1      ILE  46 -15.910   0.472  27.677
  374    H    LEU  47           HN       LEU  47 -15.626  -3.517  25.348
  375    HA   LEU  47           HA       LEU  47 -15.173  -6.424  24.874
  376   1HB   LEU  47          2HB       LEU  47 -17.164  -5.986  26.397
  377   2HB   LEU  47          1HB       LEU  47 -17.914  -5.137  25.046
  378    HG   LEU  47           HG       LEU  47 -17.031  -7.552  23.944
  379   1HD1  LEU  47          2HD1      LEU  47 -18.006  -7.874  26.774
  380   2HD1  LEU  47          1HD1      LEU  47 -18.343  -9.120  25.572
  381   3HD1  LEU  47          3HD1      LEU  47 -16.676  -8.699  25.960
  382   1HD2  LEU  47          1HD2      LEU  47 -19.388  -6.052  24.202
  383   2HD2  LEU  47          3HD2      LEU  47 -19.156  -7.478  23.191
  384   3HD2  LEU  47          2HD2      LEU  47 -19.799  -7.650  24.823
  385    H    CYS  48           HN       CYS  48 -14.177  -5.988  22.861
  386    HA   CYS  48           HA       CYS  48 -14.036  -5.330  20.590
  387   1HB   CYS  48          2HB       CYS  48 -16.999  -5.841  21.009
  388   2HB   CYS  48          1HB       CYS  48 -16.240  -5.690  19.424
  389    H    SER  49           HN       SER  49 -13.416  -3.149  20.614
  390    HA   SER  49           HA       SER  49 -15.081  -0.963  21.428
  391   1HB   SER  49          2HB       SER  49 -12.565  -1.076  21.216
  392   2HB   SER  49          1HB       SER  49 -12.772  -0.967  19.468
  393    HG   SER  49           HG       SER  49 -13.677   0.910  21.391
  394    H    ASN  50           HN       ASN  50 -13.898  -1.421  18.101
  395    HA   ASN  50           HA       ASN  50 -16.174   0.023  16.995
  396   1HB   ASN  50          2HB       ASN  50 -13.635  -1.239  16.101
  397   2HB   ASN  50          1HB       ASN  50 -14.889  -1.064  14.874
  398   1HD2  ASN  50          1HD2      ASN  50 -12.999   0.528  14.119
  399   2HD2  ASN  50          2HD2      ASN  50 -13.158   2.133  14.645
  400    HA   PRO  51           HA       PRO  51 -18.617  -3.781  16.908
  401   1HB   PRO  51          2HB       PRO  51 -20.723  -2.207  15.742
  402   2HB   PRO  51          1HB       PRO  51 -20.614  -2.817  17.395
  403   1HG   PRO  51          2HG       PRO  51 -20.376  -0.107  16.525
  404   2HG   PRO  51          1HG       PRO  51 -20.171  -0.731  18.163
  405   1HD   PRO  51          2HD       PRO  51 -18.126   0.227  16.325
  406   2HD   PRO  51          1HD       PRO  51 -17.946  -0.261  18.026
  407    H    ASN  52           HN       ASN  52 -17.478  -1.709  14.461
  408    HA   ASN  52           HA       ASN  52 -18.430  -3.578  12.317
  409   1HB   ASN  52          2HB       ASN  52 -17.779  -0.616  12.313
  410   2HB   ASN  52          1HB       ASN  52 -18.140  -1.540  10.855
  411   1HD2  ASN  52          1HD2      ASN  52 -19.830   0.616  11.663
  412   2HD2  ASN  52          2HD2      ASN  52 -21.327  -0.021  12.148
  413    H    PHE  53           HN       PHE  53 -15.938  -3.684  14.064
  414    HA   PHE  53           HA       PHE  53 -13.721  -2.994  12.266
  415   1HB   PHE  53          2HB       PHE  53 -12.394  -3.603  14.101
  416   2HB   PHE  53          1HB       PHE  53 -13.892  -3.135  14.900
  417    HD1  PHE  53           HD1      PHE  53 -15.681  -5.374  14.537
  418    HD2  PHE  53           HD2      PHE  53 -11.443  -5.396  15.243
  419    HE1  PHE  53           HE1      PHE  53 -15.857  -7.640  15.525
  420    HE2  PHE  53           HE2      PHE  53 -11.621  -7.668  16.235
  421    HZ   PHE  53           HZ       PHE  53 -13.826  -8.787  16.374
  422    HA   PRO  54           HA       PRO  54 -13.199  -6.736  10.045
  423   1HB   PRO  54          2HB       PRO  54 -10.741  -7.633  11.260
  424   2HB   PRO  54          1HB       PRO  54 -10.954  -6.825   9.705
  425   1HG   PRO  54          2HG       PRO  54  -9.861  -5.734  12.140
  426   2HG   PRO  54          1HG       PRO  54 -10.026  -4.944  10.571
  427   1HD   PRO  54          2HD       PRO  54 -11.524  -4.415  12.958
  428   2HD   PRO  54          1HD       PRO  54 -11.763  -3.686  11.353
  429    H    GLU  55           HN       GLU  55 -15.050  -7.440  11.491
  430    HA   GLU  55           HA       GLU  55 -15.056  -8.774  13.868
  431   1HB   GLU  55          2HB       GLU  55 -16.928 -10.077  12.924
  432   2HB   GLU  55          1HB       GLU  55 -16.977  -8.399  12.371
  433   1HG   GLU  55          2HG       GLU  55 -15.387  -9.614  10.464
  434   2HG   GLU  55          1HG       GLU  55 -16.566 -10.873  10.829
  435    H    GLU  56           HN       GLU  56 -13.540  -9.931  10.913
  436    HA   GLU  56           HA       GLU  56 -13.231 -12.682  11.487
  437   1HB   GLU  56          2HB       GLU  56 -12.529 -11.438   9.419
  438   2HB   GLU  56          1HB       GLU  56 -11.188 -10.746  10.333
  439   1HG   GLU  56          2HG       GLU  56 -10.356 -12.674   9.121
  440   2HG   GLU  56          1HG       GLU  56 -10.416 -13.088  10.834
  441    H    LEU  57           HN       LEU  57 -12.000  -9.894  13.083
  442    HA   LEU  57           HA       LEU  57  -9.839 -11.333  14.509
  443   1HB   LEU  57          2HB       LEU  57 -10.922  -8.514  14.817
  444   2HB   LEU  57          1HB       LEU  57  -9.372  -9.112  15.406
  445    HG   LEU  57           HG       LEU  57 -10.207  -8.932  12.495
  446   1HD1  LEU  57          1HD1      LEU  57  -9.697  -6.761  13.706
  447   2HD1  LEU  57          3HD1      LEU  57  -8.071  -7.384  13.984
  448   3HD1  LEU  57          2HD1      LEU  57  -8.640  -7.111  12.339
  449   1HD2  LEU  57          1HD2      LEU  57  -8.295 -10.582  13.757
  450   2HD2  LEU  57          3HD2      LEU  57  -8.458 -10.269  12.030
  451   3HD2  LEU  57          2HD2      LEU  57  -7.384  -9.270  13.009
  452    H    LYS  58           HN       LYS  58 -13.084 -11.390  14.774
  453    HA   LYS  58           HA       LYS  58 -14.006 -10.651  17.238
  454   1HB   LYS  58          2HB       LYS  58 -14.503 -12.722  15.295
  455   2HB   LYS  58          1HB       LYS  58 -14.758 -13.366  16.918
  456   1HG   LYS  58          2HG       LYS  58 -16.136 -11.264  17.385
  457   2HG   LYS  58          1HG       LYS  58 -16.072 -10.951  15.651
  458   1HD   LYS  58          2HD       LYS  58 -17.770 -12.392  15.334
  459   2HD   LYS  58          1HD       LYS  58 -16.792 -13.690  16.017
  460   1HE   LYS  58          2HE       LYS  58 -18.040 -13.690  17.911
  461   2HE   LYS  58          1HE       LYS  58 -17.792 -11.947  18.122
  462   1HZ   LYS  58          3HZ       LYS  58 -19.407 -11.843  16.085
  463   2HZ   LYS  58          2HZ       LYS  58 -19.904 -13.367  16.646
  464   3HZ   LYS  58          1HZ       LYS  58 -20.028 -12.006  17.655
  465    HA   PRO  59           HA       PRO  59 -11.977 -14.600  19.284
  466   1HB   PRO  59          2HB       PRO  59  -9.572 -15.046  17.759
  467   2HB   PRO  59          1HB       PRO  59 -10.919 -16.156  18.021
  468   1HG   PRO  59          2HG       PRO  59 -10.243 -14.682  15.623
  469   2HG   PRO  59          1HG       PRO  59 -11.517 -15.882  15.849
  470   1HD   PRO  59          2HD       PRO  59 -11.852 -13.078  15.496
  471   2HD   PRO  59          1HD       PRO  59 -13.117 -14.251  15.926
  472    H    LEU  60           HN       LEU  60  -9.832 -12.294  17.551
  473    HA   LEU  60           HA       LEU  60  -7.884 -11.970  19.587
  474   1HB   LEU  60          2HB       LEU  60  -9.017  -9.992  17.580
  475   2HB   LEU  60          1HB       LEU  60  -7.464  -9.831  18.398
  476    HG   LEU  60           HG       LEU  60  -8.300 -11.851  16.322
  477   1HD1  LEU  60          2HD1      LEU  60  -7.002  -9.529  16.041
  478   2HD1  LEU  60          1HD1      LEU  60  -5.623 -10.533  16.489
  479   3HD1  LEU  60          3HD1      LEU  60  -6.586 -10.940  15.069
  480   1HD2  LEU  60          2HD2      LEU  60  -6.075 -12.074  18.364
  481   2HD2  LEU  60          1HD2      LEU  60  -7.371 -13.230  18.055
  482   3HD2  LEU  60          3HD2      LEU  60  -6.096 -12.997  16.860
  483    H    CYS  61           HN       CYS  61 -11.056 -10.426  19.138
  484    HA   CYS  61           HA       CYS  61 -10.787  -8.449  21.202
  485   1HB   CYS  61          2HB       CYS  61 -12.459  -8.420  19.391
  486   2HB   CYS  61          1HB       CYS  61 -13.203  -9.878  20.046
  487    H    LYS  62           HN       LYS  62 -11.580 -11.871  21.261
  488    HA   LYS  62           HA       LYS  62 -12.545 -11.739  24.056
  489   1HB   LYS  62          2HB       LYS  62 -12.181 -13.962  22.026
  490   2HB   LYS  62          1HB       LYS  62 -12.892 -14.190  23.624
  491   1HG   LYS  62          2HG       LYS  62 -14.596 -12.439  23.049
  492   2HG   LYS  62          1HG       LYS  62 -13.933 -12.392  21.416
  493   1HD   LYS  62          2HD       LYS  62 -14.390 -14.849  21.220
  494   2HD   LYS  62          1HD       LYS  62 -15.182 -14.787  22.795
  495   1HE   LYS  62          2HE       LYS  62 -16.930 -13.392  21.981
  496   2HE   LYS  62          1HE       LYS  62 -16.017 -12.966  20.520
  497   1HZ   LYS  62          3HZ       LYS  62 -16.032 -15.367  19.946
  498   2HZ   LYS  62          2HZ       LYS  62 -17.076 -15.648  21.257
  499   3HZ   LYS  62          1HZ       LYS  62 -17.582 -14.678  19.958
  500    H    GLU  63           HN       GLU  63  -9.513 -11.705  22.718
  501    HA   GLU  63           HA       GLU  63  -8.401 -13.433  24.904
  502   1HB   GLU  63          2HB       GLU  63  -6.731 -14.116  23.398
  503   2HB   GLU  63          1HB       GLU  63  -8.149 -13.990  22.357
  504   1HG   GLU  63          2HG       GLU  63  -7.425 -11.623  21.826
  505   2HG   GLU  63          1HG       GLU  63  -5.921 -11.964  22.679
  506    HA   PRO  64           HA       PRO  64  -6.588  -9.813  26.626
  507   1HB   PRO  64          2HB       PRO  64  -4.256 -11.267  27.475
  508   2HB   PRO  64          1HB       PRO  64  -5.657 -10.796  28.439
  509   1HG   PRO  64          2HG       PRO  64  -4.940 -13.426  27.550
  510   2HG   PRO  64          1HG       PRO  64  -6.358 -12.951  28.488
  511   1HD   PRO  64          2HD       PRO  64  -6.247 -13.779  25.715
  512   2HD   PRO  64          1HD       PRO  64  -7.682 -13.346  26.674
  513    H    ASN  65           HN       ASN  65  -4.961 -11.759  24.243
  514    HA   ASN  65           HA       ASN  65  -2.628 -10.019  23.956
  515   1HB   ASN  65          2HB       ASN  65  -3.826 -12.146  22.151
  516   2HB   ASN  65          1HB       ASN  65  -2.186 -11.505  22.041
  517   1HD2  ASN  65          1HD2      ASN  65  -1.467 -11.426  24.777
  518   2HD2  ASN  65          2HD2      ASN  65  -1.445 -13.006  25.396
  519    H    ALA  66           HN       ALA  66  -5.891  -9.886  22.888
  520    HA   ALA  66           HA       ALA  66  -5.843  -8.770  20.340
  521   1HB   ALA  66          2HB       ALA  66  -7.615  -9.046  22.467
  522   2HB   ALA  66          3HB       ALA  66  -8.008  -8.374  20.884
  523   3HB   ALA  66          1HB       ALA  66  -7.551  -7.303  22.209
  524    H    GLN  67           HN       GLN  67  -5.203  -7.089  23.427
  525    HA   GLN  67           HA       GLN  67  -4.916  -4.455  22.399
  526   1HB   GLN  67          2HB       GLN  67  -3.598  -5.906  24.714
  527   2HB   GLN  67          1HB       GLN  67  -3.568  -4.155  24.500
  528   1HG   GLN  67          2HG       GLN  67  -6.075  -4.171  24.480
  529   2HG   GLN  67          1HG       GLN  67  -6.028  -5.894  24.853
  530   1HE2  GLN  67          1HE2      GLN  67  -5.605  -6.507  27.030
  531   2HE2  GLN  67          2HE2      GLN  67  -5.332  -5.391  28.279
  532    H    GLU  68           HN       GLU  68  -2.522  -7.091  22.709
  533    HA   GLU  68           HA       GLU  68  -0.335  -5.438  21.676
  534   1HB   GLU  68          2HB       GLU  68  -0.062  -7.298  23.306
  535   2HB   GLU  68          1HB       GLU  68  -0.622  -8.435  22.079
  536   1HG   GLU  68          2HG       GLU  68   1.267  -7.664  20.605
  537   2HG   GLU  68          1HG       GLU  68   1.868  -6.708  21.961
  538    H    ILE  69           HN       ILE  69  -2.546  -7.910  20.396
  539    HA   ILE  69           HA       ILE  69  -1.277  -8.230  17.835
  540    HB   ILE  69           HB       ILE  69  -4.139  -8.563  18.790
  541   1HG1  ILE  69          2HG1      ILE  69  -1.935 -10.602  18.361
  542   2HG1  ILE  69          1HG1      ILE  69  -2.380  -9.937  19.932
  543   1HG2  ILE  69          3HG2      ILE  69  -2.973  -8.740  16.143
  544   2HG2  ILE  69          2HG2      ILE  69  -3.579 -10.314  16.656
  545   3HG2  ILE  69          1HG2      ILE  69  -4.660  -8.920  16.626
  546   1HD1  ILE  69          1HD1      ILE  69  -4.350 -11.328  18.098
  547   2HD1  ILE  69          3HD1      ILE  69  -3.466 -12.160  19.377
  548   3HD1  ILE  69          2HD1      ILE  69  -4.596 -10.869  19.782
  549    H    LEU  70           HN       LEU  70  -3.954  -6.136  18.944
  550    HA   LEU  70           HA       LEU  70  -4.700  -4.934  16.527
  551   1HB   LEU  70          2HB       LEU  70  -5.862  -4.524  18.600
  552   2HB   LEU  70          1HB       LEU  70  -4.412  -3.849  19.344
  553    HG   LEU  70           HG       LEU  70  -6.227  -2.209  18.431
  554   1HD1  LEU  70          1HD1      LEU  70  -3.617  -1.918  19.003
  555   2HD1  LEU  70          3HD1      LEU  70  -3.558  -1.552  17.280
  556   3HD1  LEU  70          2HD1      LEU  70  -4.585  -0.598  18.349
  557   1HD2  LEU  70          1HD2      LEU  70  -6.195  -3.532  16.190
  558   2HD2  LEU  70          3HD2      LEU  70  -6.236  -1.771  16.115
  559   3HD2  LEU  70          2HD2      LEU  70  -4.718  -2.630  15.857
  560    H    GLN  71           HN       GLN  71  -2.236  -3.649  18.808
  561    HA   GLN  71           HA       GLN  71  -1.277  -1.495  17.325
  562   1HB   GLN  71          2HB       GLN  71   0.289  -3.543  18.928
  563   2HB   GLN  71          1HB       GLN  71   0.827  -1.904  18.564
  564   1HG   GLN  71          2HG       GLN  71  -1.231  -1.047  19.733
  565   2HG   GLN  71          1HG       GLN  71  -1.582  -2.703  20.223
  566   1HE2  GLN  71          1HE2      GLN  71   1.691  -2.716  20.206
  567   2HE2  GLN  71          2HE2      GLN  71   2.009  -2.209  21.794
  568    H    ARG  72           HN       ARG  72   0.025  -4.832  17.179
  569    HA   ARG  72           HA       ARG  72   1.904  -4.500  15.127
  570   1HB   ARG  72          2HB       ARG  72   0.029  -6.805  15.745
  571   2HB   ARG  72          1HB       ARG  72   1.477  -6.941  14.749
  572   1HG   ARG  72          2HG       ARG  72   2.823  -6.095  16.686
  573   2HG   ARG  72          1HG       ARG  72   1.360  -6.129  17.670
  574   1HD   ARG  72          2HD       ARG  72   1.142  -8.590  17.121
  575   2HD   ARG  72          1HD       ARG  72   2.741  -8.496  16.357
  576    HE   ARG  72           HE       ARG  72   2.757  -7.313  19.007
  577   1HH1  ARG  72          1HH1      ARG  72   1.771 -10.379  18.192
  578   2HH1  ARG  72          2HH1      ARG  72   3.051 -11.217  19.004
  579   1HH2  ARG  72          1HH2      ARG  72   4.871  -8.340  19.664
  580   2HH2  ARG  72          2HH2      ARG  72   4.806 -10.062  19.839
  581    H    LEU  73           HN       LEU  73  -1.504  -5.554  14.696
  582    HA   LEU  73           HA       LEU  73  -1.599  -5.650  11.898
  583   1HB   LEU  73          2HB       LEU  73  -3.674  -4.627  13.866
  584   2HB   LEU  73          1HB       LEU  73  -4.016  -5.196  12.233
  585    HG   LEU  73           HG       LEU  73  -2.859  -6.821  14.517
  586   1HD1  LEU  73          1HD1      LEU  73  -5.532  -6.423  13.359
  587   2HD1  LEU  73          3HD1      LEU  73  -5.064  -8.119  13.481
  588   3HD1  LEU  73          2HD1      LEU  73  -5.074  -7.101  14.921
  589   1HD2  LEU  73          2HD2      LEU  73  -2.898  -7.229  11.575
  590   2HD2  LEU  73          1HD2      LEU  73  -1.789  -7.873  12.786
  591   3HD2  LEU  73          3HD2      LEU  73  -3.372  -8.617  12.556
  592    H    GLU  74           HN       GLU  74  -2.266  -2.800  13.971
  593    HA   GLU  74           HA       GLU  74  -2.813  -0.919  11.945
  594   1HB   GLU  74          2HB       GLU  74  -1.349  -0.573  14.581
  595   2HB   GLU  74          1HB       GLU  74  -2.154   0.713  13.682
  596   1HG   GLU  74          2HG       GLU  74  -4.286  -0.645  13.845
  597   2HG   GLU  74          1HG       GLU  74  -3.434  -1.719  14.955
  598    H    GLU  75           HN       GLU  75   0.384  -1.663  13.436
  599    HA   GLU  75           HA       GLU  75   1.934   0.158  11.931
  600   1HB   GLU  75          2HB       GLU  75   2.602  -1.186  13.929
  601   2HB   GLU  75          1HB       GLU  75   2.645  -2.625  12.911
  602   1HG   GLU  75          2HG       GLU  75   4.343  -1.511  11.465
  603   2HG   GLU  75          1HG       GLU  75   4.341  -0.132  12.566
  604    H    ILE  76           HN       ILE  76   1.406  -3.334  11.243
  605    HA   ILE  76           HA       ILE  76   2.742  -3.359   8.723
  606    HB   ILE  76           HB       ILE  76   0.385  -5.002   9.708
  607   1HG1  ILE  76          2HG1      ILE  76   2.096  -5.097  11.382
  608   2HG1  ILE  76          1HG1      ILE  76   2.267  -6.569  10.427
  609   1HG2  ILE  76          2HG2      ILE  76   2.409  -5.321   7.504
  610   2HG2  ILE  76          1HG2      ILE  76   1.712  -6.746   8.273
  611   3HG2  ILE  76          3HG2      ILE  76   0.666  -5.586   7.454
  612   1HD1  ILE  76          3HD1      ILE  76   3.869  -4.911   9.006
  613   2HD1  ILE  76          2HD1      ILE  76   4.066  -4.214  10.615
  614   3HD1  ILE  76          1HD1      ILE  76   4.458  -5.910  10.335
  615    H    ALA  77           HN       ALA  77  -0.608  -2.624   9.608
  616    HA   ALA  77           HA       ALA  77  -1.774  -2.519   7.018
  617   1HB   ALA  77          1HB       ALA  77  -3.257  -2.368   8.815
  618   2HB   ALA  77          3HB       ALA  77  -2.232  -1.233   9.692
  619   3HB   ALA  77          2HB       ALA  77  -3.182  -0.679   8.313
  620    H    GLU  78           HN       GLU  78   0.237  -0.204   8.766
  621    HA   GLU  78           HA       GLU  78  -0.186   2.087   7.105
  622   1HB   GLU  78          2HB       GLU  78   0.891   1.997   9.364
  623   2HB   GLU  78          1HB       GLU  78   2.287   1.207   8.632
  624   1HG   GLU  78          2HG       GLU  78   2.557   3.179   7.122
  625   2HG   GLU  78          1HG       GLU  78   1.231   3.973   7.973
  626    H    ASP  79           HN       ASP  79   2.161  -0.601   6.891
  627    HA   ASP  79           HA       ASP  79   2.548   0.025   4.015
  628   1HB   ASP  79          2HB       ASP  79   4.338   1.300   4.698
  629   2HB   ASP  79          1HB       ASP  79   4.477   0.456   6.239
  630    HA   PRO  80           HA       PRO  80   2.757  -4.339   3.581
  631   1HB   PRO  80          2HB       PRO  80   4.995  -4.258   1.776
  632   2HB   PRO  80          1HB       PRO  80   3.284  -4.435   1.382
  633   1HG   PRO  80          2HG       PRO  80   4.974  -2.132   0.985
  634   2HG   PRO  80          1HG       PRO  80   3.280  -2.334   0.532
  635   1HD   PRO  80          2HD       PRO  80   4.341  -0.689   2.630
  636   2HD   PRO  80          1HD       PRO  80   2.629  -0.968   2.238
  637    H    GLY  81           HN       GLY  81   6.162  -3.220   3.279
  638   1HA   GLY  81          1HA       GLY  81   6.870  -4.466   5.836
  639   2HA   GLY  81          2HA       GLY  81   7.978  -3.635   4.742
  640    H    THR  82           HN       THR  82   8.018  -6.390   6.080
  641    HA   THR  82           HA       THR  82   9.173  -7.827   3.814
  642    HB   THR  82           HB       THR  82   9.692  -9.469   5.562
  643    HG1  THR  82          1HG       THR  82   7.629  -8.089   6.836
  644   1HG2  THR  82          3HG2      THR  82  10.309  -6.672   5.701
  645   2HG2  THR  82          2HG2      THR  82  10.188  -7.309   7.341
  646   3HG2  THR  82          1HG2      THR  82  11.307  -8.042   6.192
  647    H    CYS  83           HN       CYS  83   6.078  -7.672   5.350
  648    HA   CYS  83           HA       CYS  83   5.045 -10.267   4.828
  649   1HB   CYS  83          2HB       CYS  83   3.974  -8.492   6.197
  650   2HB   CYS  83          1HB       CYS  83   3.659  -7.569   4.729
  651    H    GLU  84           HN       GLU  84   4.852  -7.321   2.797
  652    HA   GLU  84           HA       GLU  84   3.505  -8.382   0.573
  653   1HB   GLU  84          2HB       GLU  84   4.129  -6.011   0.995
  654   2HB   GLU  84          1HB       GLU  84   5.809  -6.409   0.638
  655   1HG   GLU  84          2HG       GLU  84   5.084  -7.195  -1.628
  656   2HG   GLU  84          1HG       GLU  84   3.454  -6.630  -1.261
  657    H    ILE  85           HN       ILE  85   6.889  -8.789   1.514
  658    HA   ILE  85           HA       ILE  85   7.416 -10.269  -1.027
  659    HB   ILE  85           HB       ILE  85   9.756  -9.912  -0.439
  660   1HG1  ILE  85          2HG1      ILE  85   8.599  -8.955   2.188
  661   2HG1  ILE  85          1HG1      ILE  85   9.713 -10.298   1.936
  662   1HG2  ILE  85          1HG2      ILE  85   7.825  -7.815  -0.738
  663   2HG2  ILE  85          3HG2      ILE  85   9.098  -7.253   0.344
  664   3HG2  ILE  85          2HG2      ILE  85   9.505  -7.835  -1.270
  665   1HD1  ILE  85          1HD1      ILE  85  11.087  -8.229   0.779
  666   2HD1  ILE  85          3HD1      ILE  85  10.252  -7.399   2.092
  667   3HD1  ILE  85          2HD1      ILE  85  11.316  -8.762   2.446
  668    H    CYS  86           HN       CYS  86   6.084 -11.066   1.778
  669    HA   CYS  86           HA       CYS  86   5.937 -13.070   3.017
  670   1HB   CYS  86          2HB       CYS  86   7.518 -14.092   0.636
  671   2HB   CYS  86          1HB       CYS  86   6.528 -15.064   1.724
  672    H    ALA  87           HN       ALA  87   8.524 -11.275   2.985
  673    HA   ALA  87           HA       ALA  87  10.722 -13.040   3.637
  674   1HB   ALA  87          2HB       ALA  87  11.427 -10.720   4.752
  675   2HB   ALA  87          3HB       ALA  87  10.036 -10.131   3.841
  676   3HB   ALA  87          1HB       ALA  87  11.378 -10.905   2.998
  677    H    TYR  88           HN       TYR  88   7.918 -12.043   5.363
  678    HA   TYR  88           HA       TYR  88   9.113 -13.111   7.900
  679   1HB   TYR  88          2HB       TYR  88   8.886 -10.579   7.711
  680   2HB   TYR  88          1HB       TYR  88   7.140 -10.824   7.669
  681    HD1  TYR  88           HD1      TYR  88  10.146 -11.837   9.675
  682    HD2  TYR  88           HD2      TYR  88   5.966 -10.853   9.685
  683    HE1  TYR  88           HE1      TYR  88  10.113 -12.003  12.150
  684    HE2  TYR  88           HE2      TYR  88   5.932 -11.018  12.157
  685    HH   TYR  88           HH       TYR  88   7.086 -11.564  13.978
  686    H    ALA  89           HN       ALA  89   7.379 -13.881   9.426
  687    HA   ALA  89           HA       ALA  89   5.462 -15.575   8.065
  688   1HB   ALA  89          3HB       ALA  89   6.628 -15.181  10.668
  689   2HB   ALA  89          2HB       ALA  89   4.878 -15.323  10.836
  690   3HB   ALA  89          1HB       ALA  89   5.794 -16.606  10.046
  691    H    ALA  90           HN       ALA  90   5.368 -12.298   8.647
  692    HA   ALA  90           HA       ALA  90   2.721 -11.877   9.674
  693   1HB   ALA  90          3HB       ALA  90   4.761 -10.344   8.090
  694   2HB   ALA  90          2HB       ALA  90   3.152  -9.656   8.310
  695   3HB   ALA  90          1HB       ALA  90   4.151 -10.028   9.714
  696    H    CYS  91           HN       CYS  91   3.983 -12.176   6.350
  697    HA   CYS  91           HA       CYS  91   1.245 -11.957   5.235
  698   1HB   CYS  91          2HB       CYS  91   3.884 -11.356   4.448
  699   2HB   CYS  91          1HB       CYS  91   3.334 -12.623   3.359
  700    H    THR  92           HN       THR  92   0.087 -13.849   5.333
  701    HA   THR  92           HA       THR  92   1.542 -16.423   4.851
  702    HB   THR  92           HB       THR  92  -1.230 -16.230   5.939
  703    HG1  THR  92          1HG       THR  92   1.014 -15.044   7.009
  704   1HG2  THR  92          1HG2      THR  92   1.103 -18.042   6.025
  705   2HG2  THR  92          3HG2      THR  92   0.213 -17.896   7.541
  706   3HG2  THR  92          2HG2      THR  92  -0.619 -18.422   6.077
  707    H    GLY  93           HN       GLY  93  -0.182 -14.218   3.177
  708   1HA   GLY  93          1HA       GLY  93  -1.640 -14.299   1.313
  709   2HA   GLY  93          2HA       GLY  93  -2.117 -15.921   1.816
  710    H    CYS  94           HN       CYS  94   1.010 -14.471   0.865
  711    HA   CYS  94           HA       CYS  94   1.481 -15.378  -1.653
  712   1HB   CYS  94          2HB       CYS  94   3.098 -15.190   0.839
  713   2HB   CYS  94          1HB       CYS  94   3.835 -16.056  -0.508

  No H/Q in entry =         713
  Start of MODEL   13
    1    H1   VAL   1          3H        VAL   1  -1.514 -10.441  -0.342
    2    H2   VAL   1          2H        VAL   1  -0.948 -11.744  -1.274
    3    H3   VAL   1          1H        VAL   1  -2.607 -11.593  -0.940
    4    HA   VAL   1           HA       VAL   1  -1.785 -13.277   0.507
    5    HB   VAL   1           HB       VAL   1   0.206 -12.540   1.983
    6   1HG1  VAL   1          2HG1      VAL   1   0.051 -13.783  -0.497
    7   2HG1  VAL   1          1HG1      VAL   1   1.290 -12.550  -0.736
    8   3HG1  VAL   1          3HG1      VAL   1   1.472 -13.746   0.546
    9   1HG2  VAL   1          2HG2      VAL   1  -0.035 -10.117   1.418
   10   2HG2  VAL   1          1HG2      VAL   1   1.581 -10.738   1.079
   11   3HG2  VAL   1          3HG2      VAL   1   0.439 -10.489  -0.239
   12    H    THR   2           HN       THR   2  -2.101 -13.285   2.930
   13    HA   THR   2           HA       THR   2  -3.617 -10.847   3.809
   14    HB   THR   2           HB       THR   2  -3.976 -13.777   4.522
   15    HG1  THR   2          1HG       THR   2  -5.120 -12.064   2.624
   16   1HG2  THR   2          2HG2      THR   2  -5.603 -11.306   5.176
   17   2HG2  THR   2          1HG2      THR   2  -6.134 -12.960   5.481
   18   3HG2  THR   2          3HG2      THR   2  -4.721 -12.318   6.320
   19    H    VAL   3           HN       VAL   3  -3.243 -10.114   5.945
   20    HA   VAL   3           HA       VAL   3  -0.696 -10.953   7.157
   21    HB   VAL   3           HB       VAL   3  -2.519  -8.684   7.139
   22   1HG1  VAL   3          1HG1      VAL   3  -1.570  -9.737   9.810
   23   2HG1  VAL   3          3HG1      VAL   3  -1.916  -8.026   9.551
   24   3HG1  VAL   3          2HG1      VAL   3  -3.195  -9.225   9.356
   25   1HG2  VAL   3          3HG2      VAL   3   0.318  -9.310   7.285
   26   2HG2  VAL   3          2HG2      VAL   3  -0.474  -7.869   6.649
   27   3HG2  VAL   3          1HG2      VAL   3  -0.104  -7.985   8.369
   28    H    GLN   4           HN       GLN   4  -0.621 -12.574   8.664
   29    HA   GLN   4           HA       GLN   4  -3.142 -13.234  10.145
   30   1HB   GLN   4          2HB       GLN   4  -0.695 -14.901   9.476
   31   2HB   GLN   4          1HB       GLN   4  -2.151 -15.492  10.276
   32   1HG   GLN   4          2HG       GLN   4  -3.447 -14.690   8.236
   33   2HG   GLN   4          1HG       GLN   4  -1.889 -14.451   7.446
   34   1HE2  GLN   4          1HE2      GLN   4  -3.770 -16.387   6.469
   35   2HE2  GLN   4          2HE2      GLN   4  -3.121 -17.935   6.718
   36    H    ASP   5           HN       ASP   5  -3.112 -12.773  12.294
   37    HA   ASP   5           HA       ASP   5  -0.481 -12.329  13.645
   38   1HB   ASP   5          2HB       ASP   5  -1.910 -11.123  15.294
   39   2HB   ASP   5          1HB       ASP   5  -2.134 -10.502  13.659
   40    H    GLY   6           HN       GLY   6  -2.313 -14.884  13.085
   41   1HA   GLY   6          1HA       GLY   6  -3.125 -15.938  15.594
   42   2HA   GLY   6          2HA       GLY   6  -1.448 -16.413  15.325
   43    H    ASN   7           HN       ASN   7  -4.175 -17.885  15.227
   44    HA   ASN   7           HA       ASN   7  -3.488 -19.529  12.867
   45   1HB   ASN   7          2HB       ASN   7  -5.537 -19.764  15.093
   46   2HB   ASN   7          1HB       ASN   7  -5.232 -21.011  13.885
   47   1HD2  ASN   7          1HD2      ASN   7  -4.796 -21.515  16.671
   48   2HD2  ASN   7          2HD2      ASN   7  -3.130 -21.709  16.926
   49    H    PHE   8           HN       PHE   8  -4.893 -16.739  12.829
   50    HA   PHE   8           HA       PHE   8  -7.199 -17.593  11.104
   51   1HB   PHE   8          2HB       PHE   8  -6.905 -15.283  13.048
   52   2HB   PHE   8          1HB       PHE   8  -8.282 -15.485  11.964
   53    HD1  PHE   8           HD1      PHE   8  -9.825 -17.407  12.231
   54    HD2  PHE   8           HD2      PHE   8  -6.608 -16.697  14.988
   55    HE1  PHE   8           HE1      PHE   8 -10.868 -18.967  13.851
   56    HE2  PHE   8           HE2      PHE   8  -7.652 -18.256  16.608
   57    HZ   PHE   8           HZ       PHE   8  -9.782 -19.393  16.040
   58    H    SER   9           HN       SER   9  -7.663 -16.086   9.323
   59    HA   SER   9           HA       SER   9  -5.204 -14.684   8.375
   60   1HB   SER   9          2HB       SER   9  -7.717 -15.695   7.010
   61   2HB   SER   9          1HB       SER   9  -6.396 -14.882   6.170
   62    HG   SER   9           HG       SER   9  -6.503 -17.415   7.317
   63    H    PHE  10           HN       PHE  10  -5.215 -12.505   8.768
   64    HA   PHE  10           HA       PHE  10  -7.842 -11.055   8.656
   65   1HB   PHE  10          2HB       PHE  10  -5.269 -10.428  10.142
   66   2HB   PHE  10          1HB       PHE  10  -6.770  -9.510  10.256
   67    HD1  PHE  10           HD1      PHE  10  -8.435 -12.230   9.963
   68    HD2  PHE  10           HD2      PHE  10  -5.348 -10.834  12.602
   69    HE1  PHE  10           HE1      PHE  10  -9.243 -13.775  11.724
   70    HE2  PHE  10           HE2      PHE  10  -6.156 -12.381  14.364
   71    HZ   PHE  10           HZ       PHE  10  -8.104 -13.851  13.925
   72    H    SER  11           HN       SER  11  -8.019  -9.573   7.011
   73    HA   SER  11           HA       SER  11  -5.795  -9.056   5.203
   74   1HB   SER  11          2HB       SER  11  -8.189  -9.250   4.549
   75   2HB   SER  11          1HB       SER  11  -8.542  -7.788   5.470
   76    HG   SER  11           HG       SER  11  -8.103  -6.868   3.629
   77    H    LEU  12           HN       LEU  12  -5.277  -6.674   4.632
   78    HA   LEU  12           HA       LEU  12  -4.613  -5.250   7.145
   79   1HB   LEU  12          2HB       LEU  12  -3.828  -4.986   4.230
   80   2HB   LEU  12          1HB       LEU  12  -3.244  -3.889   5.480
   81    HG   LEU  12           HG       LEU  12  -2.375  -5.887   6.735
   82   1HD1  LEU  12          3HD1      LEU  12  -3.455  -7.244   4.274
   83   2HD1  LEU  12          2HD1      LEU  12  -2.092  -7.942   5.150
   84   3HD1  LEU  12          1HD1      LEU  12  -3.639  -7.710   5.965
   85   1HD2  LEU  12          3HD2      LEU  12  -1.170  -4.476   4.800
   86   2HD2  LEU  12          2HD2      LEU  12  -0.376  -5.841   5.585
   87   3HD2  LEU  12          1HD2      LEU  12  -1.153  -6.056   4.017
   88    H    GLU  13           HN       GLU  13  -6.910  -5.059   4.566
   89    HA   GLU  13           HA       GLU  13  -7.383  -2.234   4.482
   90   1HB   GLU  13          2HB       GLU  13  -9.213  -4.616   4.032
   91   2HB   GLU  13          1HB       GLU  13  -9.546  -2.969   3.493
   92   1HG   GLU  13          2HG       GLU  13  -7.466  -3.010   2.140
   93   2HG   GLU  13          1HG       GLU  13  -7.185  -4.676   2.648
   94    H    SER  14           HN       SER  14  -9.641  -4.607   5.916
   95    HA   SER  14           HA       SER  14 -11.190  -2.942   7.481
   96   1HB   SER  14          2HB       SER  14 -10.062  -5.566   8.475
   97   2HB   SER  14          1HB       SER  14 -11.668  -4.900   8.768
   98    HG   SER  14           HG       SER  14 -12.027  -5.078   6.489
   99    H    VAL  15           HN       VAL  15  -8.128  -4.461   8.582
  100    HA   VAL  15           HA       VAL  15  -8.006  -3.250  11.134
  101    HB   VAL  15           HB       VAL  15  -5.936  -4.172   9.130
  102   1HG1  VAL  15          3HG1      VAL  15  -5.061  -2.442  10.803
  103   2HG1  VAL  15          2HG1      VAL  15  -5.443  -3.616  12.064
  104   3HG1  VAL  15          1HG1      VAL  15  -4.253  -4.010  10.823
  105   1HG2  VAL  15          2HG2      VAL  15  -7.553  -5.333  11.338
  106   2HG2  VAL  15          1HG2      VAL  15  -6.972  -6.088   9.851
  107   3HG2  VAL  15          3HG2      VAL  15  -5.881  -5.886  11.223
  108    H    LYS  16           HN       LYS  16  -6.639  -2.098   8.021
  109    HA   LYS  16           HA       LYS  16  -5.504   0.328   8.948
  110   1HB   LYS  16          2HB       LYS  16  -5.187  -0.576   6.698
  111   2HB   LYS  16          1HB       LYS  16  -6.910  -0.412   6.358
  112   1HG   LYS  16          2HG       LYS  16  -6.704   2.050   6.672
  113   2HG   LYS  16          1HG       LYS  16  -4.968   1.852   6.907
  114   1HD   LYS  16          2HD       LYS  16  -5.335   2.449   4.590
  115   2HD   LYS  16          1HD       LYS  16  -4.873   0.748   4.639
  116   1HE   LYS  16          2HE       LYS  16  -6.795   0.255   3.540
  117   2HE   LYS  16          1HE       LYS  16  -7.705   0.842   4.943
  118   1HZ   LYS  16          1HZ       LYS  16  -6.501   2.716   2.994
  119   2HZ   LYS  16          3HZ       LYS  16  -8.035   2.047   2.716
  120   3HZ   LYS  16          2HZ       LYS  16  -7.763   3.000   4.097
  121    H    LYS  17           HN       LYS  17  -8.760  -0.217   7.552
  122    HA   LYS  17           HA       LYS  17  -9.729   2.406   8.428
  123   1HB   LYS  17          2HB       LYS  17 -11.048  -0.055   7.237
  124   2HB   LYS  17          1HB       LYS  17 -11.848   1.503   7.445
  125   1HG   LYS  17          2HG       LYS  17 -10.088   2.551   6.021
  126   2HG   LYS  17          1HG       LYS  17  -9.394   0.953   5.750
  127   1HD   LYS  17          2HD       LYS  17 -11.641   0.221   4.861
  128   2HD   LYS  17          1HD       LYS  17 -12.161   1.904   4.957
  129   1HE   LYS  17          2HE       LYS  17 -10.897   2.523   3.139
  130   2HE   LYS  17          1HE       LYS  17  -9.575   1.418   3.560
  131   1HZ   LYS  17          1HZ       LYS  17 -12.194   0.302   2.830
  132   2HZ   LYS  17          3HZ       LYS  17 -11.187   0.863   1.586
  133   3HZ   LYS  17          2HZ       LYS  17 -10.646  -0.367   2.626
  134    H    LEU  18           HN       LEU  18  -8.903  -0.057  10.306
  135    HA   LEU  18           HA       LEU  18 -11.265  -0.819  11.740
  136   1HB   LEU  18          2HB       LEU  18  -8.908  -1.824  11.640
  137   2HB   LEU  18          1HB       LEU  18  -8.430  -0.562  12.776
  138    HG   LEU  18           HG       LEU  18 -10.726  -2.466  13.295
  139   1HD1  LEU  18          2HD1      LEU  18  -7.787  -2.791  13.612
  140   2HD1  LEU  18          1HD1      LEU  18  -8.772  -3.273  14.994
  141   3HD1  LEU  18          3HD1      LEU  18  -9.041  -4.017  13.418
  142   1HD2  LEU  18          3HD2      LEU  18  -9.258  -0.355  14.843
  143   2HD2  LEU  18          2HD2      LEU  18 -10.991  -0.670  14.758
  144   3HD2  LEU  18          1HD2      LEU  18  -9.947  -1.729  15.707
  145    H    LYS  19           HN       LYS  19  -8.999   1.898  12.059
  146    HA   LYS  19           HA       LYS  19 -10.468   2.909  14.446
  147   1HB   LYS  19          2HB       LYS  19  -7.941   3.785  13.004
  148   2HB   LYS  19          1HB       LYS  19  -8.544   4.505  14.496
  149   1HG   LYS  19          2HG       LYS  19  -8.397   2.268  15.593
  150   2HG   LYS  19          1HG       LYS  19  -7.703   1.614  14.109
  151   1HD   LYS  19          2HD       LYS  19  -5.863   3.305  14.286
  152   2HD   LYS  19          1HD       LYS  19  -6.527   3.812  15.840
  153   1HE   LYS  19          2HE       LYS  19  -6.163   0.899  15.650
  154   2HE   LYS  19          1HE       LYS  19  -4.646   1.809  15.515
  155   1HZ   LYS  19          3HZ       LYS  19  -5.738   3.200  17.424
  156   2HZ   LYS  19          2HZ       LYS  19  -6.611   1.770  17.705
  157   3HZ   LYS  19          1HZ       LYS  19  -4.914   1.762  17.783
  158    H    ASP  20           HN       ASP  20 -11.638   4.870  14.360
  159    HA   ASP  20           HA       ASP  20 -12.918   6.573  13.327
  160   1HB   ASP  20          2HB       ASP  20 -10.384   6.558  11.656
  161   2HB   ASP  20          1HB       ASP  20 -11.577   7.857  11.643
  162    H    LEU  21           HN       LEU  21 -13.710   4.025  12.525
  163    HA   LEU  21           HA       LEU  21 -13.769   3.868   9.588
  164   1HB   LEU  21          2HB       LEU  21 -13.583   1.893  11.074
  165   2HB   LEU  21          1HB       LEU  21 -15.154   2.279  11.776
  166    HG   LEU  21           HG       LEU  21 -15.607   2.286   9.016
  167   1HD1  LEU  21          3HD1      LEU  21 -13.368   1.180   8.777
  168   2HD1  LEU  21          2HD1      LEU  21 -13.957  -0.139   9.788
  169   3HD1  LEU  21          1HD1      LEU  21 -14.704   0.170   8.220
  170   1HD2  LEU  21          2HD2      LEU  21 -16.543   1.016  11.358
  171   2HD2  LEU  21          1HD2      LEU  21 -17.316   1.026   9.773
  172   3HD2  LEU  21          3HD2      LEU  21 -16.212  -0.278  10.208
  173    H    GLN  22           HN       GLN  22 -15.364   4.765   8.344
  174    HA   GLN  22           HA       GLN  22 -17.424   6.444   9.407
  175   1HB   GLN  22          2HB       GLN  22 -16.267   6.315   7.082
  176   2HB   GLN  22          1HB       GLN  22 -17.475   5.085   6.710
  177   1HG   GLN  22          2HG       GLN  22 -18.386   7.177   5.968
  178   2HG   GLN  22          1HG       GLN  22 -19.238   6.764   7.455
  179   1HE2  GLN  22          1HE2      GLN  22 -19.411   8.525   8.842
  180   2HE2  GLN  22          2HE2      GLN  22 -18.274   9.777   8.983
  181    H    GLU  23           HN       GLU  23 -19.818   6.042   8.984
  182    HA   GLU  23           HA       GLU  23 -20.899   3.923  10.392
  183   1HB   GLU  23          2HB       GLU  23 -21.749   5.868   8.386
  184   2HB   GLU  23          1HB       GLU  23 -22.709   4.390   8.318
  185   1HG   GLU  23          2HG       GLU  23 -22.163   5.416  11.041
  186   2HG   GLU  23          1HG       GLU  23 -23.203   6.437  10.049
  187    HA   PRO  24           HA       PRO  24 -21.329   1.313   6.318
  188   1HB   PRO  24          2HB       PRO  24 -19.411   2.352   4.444
  189   2HB   PRO  24          1HB       PRO  24 -21.168   2.296   4.281
  190   1HG   PRO  24          2HG       PRO  24 -19.514   4.598   4.720
  191   2HG   PRO  24          1HG       PRO  24 -21.272   4.539   4.575
  192   1HD   PRO  24          2HD       PRO  24 -19.697   5.008   6.955
  193   2HD   PRO  24          1HD       PRO  24 -21.469   4.979   6.798
  194    H    GLN  25           HN       GLN  25 -20.133  -0.594   6.402
  195    HA   GLN  25           HA       GLN  25 -17.730  -0.821   7.892
  196   1HB   GLN  25          2HB       GLN  25 -18.931  -2.576   5.725
  197   2HB   GLN  25          1HB       GLN  25 -17.691  -3.101   6.865
  198   1HG   GLN  25          2HG       GLN  25 -19.210  -2.626   8.745
  199   2HG   GLN  25          1HG       GLN  25 -20.448  -2.077   7.615
  200   1HE2  GLN  25          1HE2      GLN  25 -20.862  -4.315   9.398
  201   2HE2  GLN  25          2HE2      GLN  25 -21.015  -5.715   8.450
  202    H    GLU  26           HN       GLU  26 -18.268  -0.504   4.404
  203    HA   GLU  26           HA       GLU  26 -15.523   0.492   4.027
  204   1HB   GLU  26          2HB       GLU  26 -16.526  -2.200   3.101
  205   2HB   GLU  26          1HB       GLU  26 -15.232  -1.376   2.231
  206   1HG   GLU  26          2HG       GLU  26 -13.897  -2.458   3.740
  207   2HG   GLU  26          1HG       GLU  26 -14.340  -1.107   4.783
  208    HA   PRO  27           HA       PRO  27 -18.734   2.413   1.330
  209   1HB   PRO  27          2HB       PRO  27 -16.996   4.704   1.298
  210   2HB   PRO  27          1HB       PRO  27 -18.561   4.537   2.096
  211   1HG   PRO  27          2HG       PRO  27 -15.960   4.640   3.313
  212   2HG   PRO  27          1HG       PRO  27 -17.526   4.470   4.111
  213   1HD   PRO  27          2HD       PRO  27 -15.473   2.463   3.788
  214   2HD   PRO  27          1HD       PRO  27 -17.049   2.293   4.596
  215    H    ARG  28           HN       ARG  28 -15.204   2.310   1.058
  216    HA   ARG  28           HA       ARG  28 -15.504   1.891  -1.883
  217   1HB   ARG  28          2HB       ARG  28 -13.704   3.889  -0.476
  218   2HB   ARG  28          1HB       ARG  28 -13.616   3.515  -2.197
  219   1HG   ARG  28          2HG       ARG  28 -16.024   4.181  -2.409
  220   2HG   ARG  28          1HG       ARG  28 -15.993   4.683  -0.719
  221   1HD   ARG  28          2HD       ARG  28 -14.056   6.219  -1.311
  222   2HD   ARG  28          1HD       ARG  28 -14.383   5.844  -3.014
  223    HE   ARG  28           HE       ARG  28 -16.513   6.936  -1.205
  224   1HH1  ARG  28          1HH1      ARG  28 -14.830   8.938  -2.699
  225   2HH1  ARG  28          2HH1      ARG  28 -15.768   9.191  -4.132
  226   1HH2  ARG  28          1HH2      ARG  28 -17.701   6.349  -3.690
  227   2HH2  ARG  28          2HH2      ARG  28 -17.392   7.727  -4.693
  228    H    VAL  29           HN       VAL  29 -14.167   0.264  -2.599
  229    HA   VAL  29           HA       VAL  29 -11.923  -0.598  -0.800
  230    HB   VAL  29           HB       VAL  29 -13.816  -2.307  -2.448
  231   1HG1  VAL  29          3HG1      VAL  29 -11.265  -2.826  -1.259
  232   2HG1  VAL  29          2HG1      VAL  29 -12.488  -3.711  -0.347
  233   3HG1  VAL  29          1HG1      VAL  29 -12.334  -3.960  -2.086
  234   1HG2  VAL  29          2HG2      VAL  29 -14.931  -1.203  -0.525
  235   2HG2  VAL  29          1HG2      VAL  29 -14.796  -2.946  -0.288
  236   3HG2  VAL  29          3HG2      VAL  29 -13.693  -1.855   0.549
  237    H    GLY  30           HN       GLY  30  -9.973  -0.855  -1.860
  238   1HA   GLY  30          1HA       GLY  30  -9.530   0.096  -4.474
  239   2HA   GLY  30          2HA       GLY  30  -9.727  -1.650  -4.608
  240    H    LYS  31           HN       LYS  31  -7.301  -0.742  -5.322
  241    HA   LYS  31           HA       LYS  31  -5.474  -2.110  -3.609
  242   1HB   LYS  31          2HB       LYS  31  -5.188  -1.692  -6.028
  243   2HB   LYS  31          1HB       LYS  31  -5.034   0.036  -5.712
  244   1HG   LYS  31          2HG       LYS  31  -3.060  -0.483  -4.239
  245   2HG   LYS  31          1HG       LYS  31  -3.167  -2.161  -4.775
  246   1HD   LYS  31          2HD       LYS  31  -2.967  -1.339  -7.146
  247   2HD   LYS  31          1HD       LYS  31  -2.668   0.279  -6.506
  248   1HE   LYS  31          2HE       LYS  31  -0.605  -0.360  -5.536
  249   2HE   LYS  31          1HE       LYS  31  -1.008  -2.086  -5.606
  250   1HZ   LYS  31          2HZ       LYS  31  -1.293  -1.428  -8.157
  251   2HZ   LYS  31          1HZ       LYS  31  -0.101  -0.295  -7.729
  252   3HZ   LYS  31          3HZ       LYS  31   0.191  -1.953  -7.517
  253    H    LEU  32           HN       LEU  32  -6.717   1.139  -3.520
  254    HA   LEU  32           HA       LEU  32  -4.641   2.549  -2.219
  255   1HB   LEU  32          2HB       LEU  32  -7.657   2.668  -1.886
  256   2HB   LEU  32          1HB       LEU  32  -6.541   3.935  -1.377
  257    HG   LEU  32           HG       LEU  32  -7.038   2.952  -4.200
  258   1HD1  LEU  32          2HD1      LEU  32  -8.411   4.816  -2.807
  259   2HD1  LEU  32          1HD1      LEU  32  -7.096   5.821  -3.417
  260   3HD1  LEU  32          3HD1      LEU  32  -8.129   4.941  -4.544
  261   1HD2  LEU  32          2HD2      LEU  32  -4.873   4.734  -3.065
  262   2HD2  LEU  32          1HD2      LEU  32  -4.676   3.291  -4.060
  263   3HD2  LEU  32          3HD2      LEU  32  -5.329   4.767  -4.768
  264    H    ARG  33           HN       ARG  33  -3.582   1.838  -0.408
  265    HA   ARG  33           HA       ARG  33  -5.152   1.188   2.008
  266   1HB   ARG  33          2HB       ARG  33  -4.205  -1.028   2.235
  267   2HB   ARG  33          1HB       ARG  33  -4.883  -0.911   0.611
  268   1HG   ARG  33          2HG       ARG  33  -2.567  -0.228  -0.187
  269   2HG   ARG  33          1HG       ARG  33  -1.972  -0.672   1.414
  270   1HD   ARG  33          2HD       ARG  33  -2.929  -2.969   1.084
  271   2HD   ARG  33          1HD       ARG  33  -3.373  -2.504  -0.570
  272    HE   ARG  33           HE       ARG  33  -0.562  -2.579   0.472
  273   1HH1  ARG  33          1HH1      ARG  33  -2.399  -1.399  -2.071
  274   2HH1  ARG  33          2HH1      ARG  33  -1.473  -2.153  -3.325
  275   1HH2  ARG  33          1HH2      ARG  33   0.436  -4.051  -1.140
  276   2HH2  ARG  33          2HH2      ARG  33   0.133  -3.654  -2.799
  277    H    ASN  34           HN       ASN  34  -3.205   0.331   3.680
  278    HA   ASN  34           HA       ASN  34  -1.321   1.045   4.915
  279   1HB   ASN  34          2HB       ASN  34  -0.526   1.918   2.118
  280   2HB   ASN  34          1HB       ASN  34   0.576   1.825   3.489
  281   1HD2  ASN  34          1HD2      ASN  34   0.966   0.217   1.140
  282   2HD2  ASN  34          2HD2      ASN  34   0.718  -1.408   1.558
  283    H    PHE  35           HN       PHE  35  -3.519   2.740   5.055
  284    HA   PHE  35           HA       PHE  35  -2.238   5.456   5.044
  285   1HB   PHE  35          2HB       PHE  35  -5.012   4.532   4.256
  286   2HB   PHE  35          1HB       PHE  35  -4.638   6.225   4.577
  287    HD1  PHE  35           HD1      PHE  35  -2.673   7.281   3.270
  288    HD2  PHE  35           HD2      PHE  35  -4.563   3.592   2.144
  289    HE1  PHE  35           HE1      PHE  35  -1.765   7.517   0.975
  290    HE2  PHE  35           HE2      PHE  35  -3.655   3.828  -0.152
  291    HZ   PHE  35           HZ       PHE  35  -2.256   5.790  -0.736
  292    H    ALA  36           HN       ALA  36  -3.284   3.032   6.988
  293    HA   ALA  36           HA       ALA  36  -5.039   4.310   8.865
  294   1HB   ALA  36          3HB       ALA  36  -5.029   2.105   9.372
  295   2HB   ALA  36          2HB       ALA  36  -3.497   1.860   8.533
  296   3HB   ALA  36          1HB       ALA  36  -3.507   2.393  10.214
  297    HA   PRO  37           HA       PRO  37  -2.448   6.967  11.208
  298   1HB   PRO  37          2HB       PRO  37  -3.415   6.012  13.743
  299   2HB   PRO  37          1HB       PRO  37  -3.911   7.460  12.866
  300   1HG   PRO  37          2HG       PRO  37  -5.406   5.047  13.260
  301   2HG   PRO  37          1HG       PRO  37  -5.891   6.483  12.356
  302   1HD   PRO  37          2HD       PRO  37  -5.130   3.889  11.317
  303   2HD   PRO  37          1HD       PRO  37  -5.672   5.319  10.408
  304    H    ILE  38           HN       ILE  38  -1.605   6.289  13.943
  305    HA   ILE  38           HA       ILE  38   0.503   4.269  13.280
  306    HB   ILE  38           HB       ILE  38   0.427   6.385  15.453
  307   1HG1  ILE  38          2HG1      ILE  38   2.108   7.460  13.716
  308   2HG1  ILE  38          1HG1      ILE  38   1.185   6.507  12.554
  309   1HG2  ILE  38          3HG2      ILE  38   2.042   4.528  15.767
  310   2HG2  ILE  38          2HG2      ILE  38   2.717   4.861  14.173
  311   3HG2  ILE  38          1HG2      ILE  38   2.864   6.058  15.459
  312   1HD1  ILE  38          1HD1      ILE  38  -0.593   7.844  14.412
  313   2HD1  ILE  38          3HD1      ILE  38   0.473   9.010  13.629
  314   3HD1  ILE  38          2HD1      ILE  38  -0.543   7.951  12.652
  315    HA   PRO  39           HA       PRO  39  -1.280   1.455  16.178
  316   1HB   PRO  39          2HB       PRO  39   1.314   0.466  16.933
  317   2HB   PRO  39          1HB       PRO  39   0.150  -0.266  15.825
  318   1HG   PRO  39          2HG       PRO  39   2.645   1.004  15.179
  319   2HG   PRO  39          1HG       PRO  39   1.480   0.274  14.072
  320   1HD   PRO  39          2HD       PRO  39   2.047   3.079  14.448
  321   2HD   PRO  39          1HD       PRO  39   0.874   2.342  13.331
  322    H    GLY  40           HN       GLY  40  -1.014   0.877  18.574
  323   1HA   GLY  40          1HA       GLY  40   0.167   3.186  20.066
  324   2HA   GLY  40          2HA       GLY  40   0.187   1.538  20.694
  325    H    GLU  41           HN       GLU  41  -2.676   1.654  19.182
  326    HA   GLU  41           HA       GLU  41  -4.100   2.564  21.657
  327   1HB   GLU  41          2HB       GLU  41  -4.111   3.642  18.973
  328   2HB   GLU  41          1HB       GLU  41  -5.726   3.073  19.398
  329   1HG   GLU  41          2HG       GLU  41  -5.688   4.402  21.451
  330   2HG   GLU  41          1HG       GLU  41  -4.032   4.911  21.119
  331    HA   PRO  42           HA       PRO  42  -5.215  -1.778  20.307
  332   1HB   PRO  42          2HB       PRO  42  -5.388  -2.354  23.120
  333   2HB   PRO  42          1HB       PRO  42  -4.209  -2.961  21.955
  334   1HG   PRO  42          2HG       PRO  42  -3.792  -1.038  24.051
  335   2HG   PRO  42          1HG       PRO  42  -2.612  -1.659  22.895
  336   1HD   PRO  42          2HD       PRO  42  -3.790   0.973  22.974
  337   2HD   PRO  42          1HD       PRO  42  -2.616   0.339  21.795
  338    H    VAL  43           HN       VAL  43  -7.367  -2.566  20.332
  339    HA   VAL  43           HA       VAL  43  -9.331  -1.042  22.012
  340    HB   VAL  43           HB       VAL  43  -9.582  -1.885  19.107
  341   1HG1  VAL  43          1HG1      VAL  43 -11.482  -1.026  21.117
  342   2HG1  VAL  43          3HG1      VAL  43 -11.427   0.128  19.784
  343   3HG1  VAL  43          2HG1      VAL  43 -11.781  -1.571  19.467
  344   1HG2  VAL  43          2HG2      VAL  43  -8.055   0.177  20.065
  345   2HG2  VAL  43          1HG2      VAL  43  -8.826   0.169  18.480
  346   3HG2  VAL  43          3HG2      VAL  43  -9.610   0.976  19.839
  347    H    VAL  44           HN       VAL  44 -10.465  -2.471  23.274
  348    HA   VAL  44           HA       VAL  44 -11.511  -4.968  22.130
  349    HB   VAL  44           HB       VAL  44  -9.260  -4.840  24.140
  350   1HG1  VAL  44          1HG1      VAL  44 -11.480  -6.812  23.932
  351   2HG1  VAL  44          3HG1      VAL  44  -9.854  -7.473  24.102
  352   3HG1  VAL  44          2HG1      VAL  44 -10.492  -6.375  25.325
  353   1HG2  VAL  44          1HG2      VAL  44  -9.753  -5.966  21.427
  354   2HG2  VAL  44          3HG2      VAL  44  -8.282  -5.266  22.103
  355   3HG2  VAL  44          2HG2      VAL  44  -8.741  -6.920  22.511
  356    HA   PRO  45           HA       PRO  45 -13.803  -2.826  25.674
  357   1HB   PRO  45          2HB       PRO  45 -16.071  -2.700  23.910
  358   2HB   PRO  45          1HB       PRO  45 -15.135  -1.357  24.571
  359   1HG   PRO  45          2HG       PRO  45 -15.183  -2.292  21.865
  360   2HG   PRO  45          1HG       PRO  45 -14.204  -0.986  22.537
  361   1HD   PRO  45          2HD       PRO  45 -13.339  -3.627  21.694
  362   2HD   PRO  45          1HD       PRO  45 -12.342  -2.276  22.285
  363    H    ILE  46           HN       ILE  46 -16.610  -3.577  25.552
  364    HA   ILE  46           HA       ILE  46 -16.495  -6.275  26.538
  365    HB   ILE  46           HB       ILE  46 -18.790  -4.547  25.549
  366   1HG1  ILE  46          2HG1      ILE  46 -17.684  -5.004  28.338
  367   2HG1  ILE  46          1HG1      ILE  46 -17.426  -3.551  27.372
  368   1HG2  ILE  46          3HG2      ILE  46 -18.764  -7.278  26.295
  369   2HG2  ILE  46          2HG2      ILE  46 -19.451  -6.399  27.661
  370   3HG2  ILE  46          1HG2      ILE  46 -20.176  -6.247  26.060
  371   1HD1  ILE  46          2HD1      ILE  46 -20.190  -3.933  27.297
  372   2HD1  ILE  46          1HD1      ILE  46 -19.748  -4.325  28.958
  373   3HD1  ILE  46          3HD1      ILE  46 -19.331  -2.750  28.283
  374    H    LEU  47           HN       LEU  47 -17.438  -4.875  23.411
  375    HA   LEU  47           HA       LEU  47 -17.179  -7.579  22.178
  376   1HB   LEU  47          2HB       LEU  47 -19.499  -5.668  21.744
  377   2HB   LEU  47          1HB       LEU  47 -19.333  -7.290  21.070
  378    HG   LEU  47           HG       LEU  47 -19.482  -6.655  24.034
  379   1HD1  LEU  47          1HD1      LEU  47 -21.583  -6.349  22.493
  380   2HD1  LEU  47          3HD1      LEU  47 -21.585  -8.112  22.453
  381   3HD1  LEU  47          2HD1      LEU  47 -21.743  -7.265  23.991
  382   1HD2  LEU  47          3HD2      LEU  47 -18.450  -8.885  22.700
  383   2HD2  LEU  47          2HD2      LEU  47 -18.939  -8.817  24.393
  384   3HD2  LEU  47          1HD2      LEU  47 -20.080  -9.372  23.167
  385    H    CYS  48           HN       CYS  48 -15.134  -6.043  21.755
  386    HA   CYS  48           HA       CYS  48 -13.876  -4.879  20.125
  387   1HB   CYS  48          2HB       CYS  48 -16.279  -5.880  18.575
  388   2HB   CYS  48          1HB       CYS  48 -14.911  -5.087  17.797
  389    H    SER  49           HN       SER  49 -13.673  -2.683  19.775
  390    HA   SER  49           HA       SER  49 -15.740  -0.856  20.536
  391   1HB   SER  49          2HB       SER  49 -13.370  -0.330  20.659
  392   2HB   SER  49          1HB       SER  49 -13.201  -0.539  18.915
  393    HG   SER  49           HG       SER  49 -14.989   1.324  20.057
  394    H    ASN  50           HN       ASN  50 -14.289  -1.189  17.281
  395    HA   ASN  50           HA       ASN  50 -16.615   0.065  16.033
  396   1HB   ASN  50          2HB       ASN  50 -13.945  -1.042  15.240
  397   2HB   ASN  50          1HB       ASN  50 -15.153  -0.791  13.980
  398   1HD2  ASN  50          1HD2      ASN  50 -13.574   0.954  13.218
  399   2HD2  ASN  50          2HD2      ASN  50 -13.656   2.482  13.951
  400    HA   PRO  51           HA       PRO  51 -18.687  -3.937  15.865
  401   1HB   PRO  51          2HB       PRO  51 -20.805  -2.612  14.444
  402   2HB   PRO  51          1HB       PRO  51 -20.794  -3.146  16.127
  403   1HG   PRO  51          2HG       PRO  51 -20.710  -0.461  15.153
  404   2HG   PRO  51          1HG       PRO  51 -20.616  -0.999  16.831
  405   1HD   PRO  51          2HD       PRO  51 -18.493   0.076  15.161
  406   2HD   PRO  51          1HD       PRO  51 -18.432  -0.349  16.886
  407    H    ASN  52           HN       ASN  52 -17.334  -2.036  13.436
  408    HA   ASN  52           HA       ASN  52 -18.081  -4.044  11.335
  409   1HB   ASN  52          2HB       ASN  52 -17.600  -1.054  11.203
  410   2HB   ASN  52          1HB       ASN  52 -17.745  -2.074   9.771
  411   1HD2  ASN  52          1HD2      ASN  52 -19.656  -0.021  10.248
  412   2HD2  ASN  52          2HD2      ASN  52 -21.147  -0.737  10.631
  413    H    PHE  53           HN       PHE  53 -15.698  -3.777  13.284
  414    HA   PHE  53           HA       PHE  53 -13.404  -3.200  11.545
  415   1HB   PHE  53          2HB       PHE  53 -12.178  -3.489  13.527
  416   2HB   PHE  53          1HB       PHE  53 -13.749  -3.001  14.158
  417    HD1  PHE  53           HD1      PHE  53 -15.459  -4.996  14.566
  418    HD2  PHE  53           HD2      PHE  53 -11.188  -5.438  14.373
  419    HE1  PHE  53           HE1      PHE  53 -15.620  -7.125  15.824
  420    HE2  PHE  53           HE2      PHE  53 -11.352  -7.574  15.633
  421    HZ   PHE  53           HZ       PHE  53 -13.568  -8.408  16.357
  422    HA   PRO  54           HA       PRO  54 -12.400  -7.211  10.020
  423   1HB   PRO  54          2HB       PRO  54 -10.270  -7.936  11.827
  424   2HB   PRO  54          1HB       PRO  54 -10.135  -7.369  10.166
  425   1HG   PRO  54          2HG       PRO  54  -9.518  -5.948  12.590
  426   2HG   PRO  54          1HG       PRO  54  -9.360  -5.377  10.927
  427   1HD   PRO  54          2HD       PRO  54 -11.271  -4.533  12.883
  428   2HD   PRO  54          1HD       PRO  54 -11.181  -4.025  11.183
  429    H    GLU  55           HN       GLU  55 -14.545  -7.716  11.177
  430    HA   GLU  55           HA       GLU  55 -14.973  -8.830  13.652
  431   1HB   GLU  55          2HB       GLU  55 -16.611  -8.525  11.797
  432   2HB   GLU  55          1HB       GLU  55 -15.937  -9.949  11.001
  433   1HG   GLU  55          2HG       GLU  55 -16.499 -11.311  13.000
  434   2HG   GLU  55          1HG       GLU  55 -17.220  -9.887  13.751
  435    H    GLU  56           HN       GLU  56 -13.368 -10.420  10.905
  436    HA   GLU  56           HA       GLU  56 -13.179 -13.061  11.866
  437   1HB   GLU  56          2HB       GLU  56 -11.162 -11.319  10.404
  438   2HB   GLU  56          1HB       GLU  56 -11.070 -13.077  10.502
  439   1HG   GLU  56          2HG       GLU  56 -13.326 -13.216   9.440
  440   2HG   GLU  56          1HG       GLU  56 -13.320 -11.461   9.264
  441    H    LEU  57           HN       LEU  57 -11.831 -10.161  13.123
  442    HA   LEU  57           HA       LEU  57  -9.769 -11.543  14.751
  443   1HB   LEU  57          2HB       LEU  57 -10.589  -8.688  14.182
  444   2HB   LEU  57          1HB       LEU  57  -9.399  -9.078  15.424
  445    HG   LEU  57           HG       LEU  57  -8.056 -10.281  13.748
  446   1HD1  LEU  57          3HD1      LEU  57 -10.398  -9.596  12.021
  447   2HD1  LEU  57          2HD1      LEU  57  -8.801  -9.705  11.285
  448   3HD1  LEU  57          1HD1      LEU  57  -9.486 -11.098  12.122
  449   1HD2  LEU  57          1HD2      LEU  57  -8.717  -7.411  13.576
  450   2HD2  LEU  57          3HD2      LEU  57  -7.144  -8.192  13.742
  451   3HD2  LEU  57          2HD2      LEU  57  -7.900  -8.060  12.155
  452    H    LYS  58           HN       LYS  58 -12.960 -11.310  14.936
  453    HA   LYS  58           HA       LYS  58 -13.871 -10.136  17.249
  454   1HB   LYS  58          2HB       LYS  58 -14.638 -12.197  15.494
  455   2HB   LYS  58          1HB       LYS  58 -14.741 -12.904  17.107
  456   1HG   LYS  58          2HG       LYS  58 -16.090 -10.950  17.849
  457   2HG   LYS  58          1HG       LYS  58 -16.030 -10.306  16.209
  458   1HD   LYS  58          2HD       LYS  58 -18.134 -11.608  16.759
  459   2HD   LYS  58          1HD       LYS  58 -17.257 -12.192  15.344
  460   1HE   LYS  58          2HE       LYS  58 -16.760 -14.185  16.346
  461   2HE   LYS  58          1HE       LYS  58 -16.386 -13.408  17.896
  462   1HZ   LYS  58          2HZ       LYS  58 -19.153 -13.494  16.856
  463   2HZ   LYS  58          1HZ       LYS  58 -18.521 -14.805  17.734
  464   3HZ   LYS  58          3HZ       LYS  58 -18.627 -13.275  18.457
  465    HA   PRO  59           HA       PRO  59 -12.247 -13.989  19.805
  466   1HB   PRO  59          2HB       PRO  59  -9.836 -14.768  18.431
  467   2HB   PRO  59          1HB       PRO  59 -11.268 -15.746  18.761
  468   1HG   PRO  59          2HG       PRO  59 -10.417 -14.580  16.245
  469   2HG   PRO  59          1HG       PRO  59 -11.763 -15.683  16.546
  470   1HD   PRO  59          2HD       PRO  59 -11.945 -12.932  15.872
  471   2HD   PRO  59          1HD       PRO  59 -13.278 -13.971  16.424
  472    H    LEU  60           HN       LEU  60  -9.922 -11.992  17.912
  473    HA   LEU  60           HA       LEU  60  -7.990 -11.607  19.942
  474   1HB   LEU  60          2HB       LEU  60  -9.020  -9.990  17.614
  475   2HB   LEU  60          1HB       LEU  60  -7.736  -9.360  18.643
  476    HG   LEU  60           HG       LEU  60  -6.483 -11.525  18.233
  477   1HD1  LEU  60          3HD1      LEU  60  -8.831 -11.880  16.373
  478   2HD1  LEU  60          2HD1      LEU  60  -7.278 -12.642  16.026
  479   3HD1  LEU  60          1HD1      LEU  60  -8.144 -13.039  17.511
  480   1HD2  LEU  60          2HD2      LEU  60  -7.042  -9.357  16.307
  481   2HD2  LEU  60          1HD2      LEU  60  -5.496  -9.960  16.904
  482   3HD2  LEU  60          3HD2      LEU  60  -6.325 -10.802  15.595
  483    H    CYS  61           HN       CYS  61 -11.008  -9.815  19.264
  484    HA   CYS  61           HA       CYS  61 -10.702  -7.804  21.264
  485   1HB   CYS  61          2HB       CYS  61 -13.152  -9.168  20.100
  486   2HB   CYS  61          1HB       CYS  61 -13.184  -7.652  21.001
  487    H    LYS  62           HN       LYS  62 -11.595 -11.184  21.475
  488    HA   LYS  62           HA       LYS  62 -12.537 -10.854  24.281
  489   1HB   LYS  62          2HB       LYS  62 -12.516 -13.153  22.302
  490   2HB   LYS  62          1HB       LYS  62 -13.182 -13.261  23.932
  491   1HG   LYS  62          2HG       LYS  62 -14.714 -11.365  23.386
  492   2HG   LYS  62          1HG       LYS  62 -14.095 -11.379  21.734
  493   1HD   LYS  62          2HD       LYS  62 -14.825 -13.752  21.515
  494   2HD   LYS  62          1HD       LYS  62 -15.514 -13.666  23.137
  495   1HE   LYS  62          2HE       LYS  62 -17.377 -12.629  22.356
  496   2HE   LYS  62          1HE       LYS  62 -16.406 -11.433  21.477
  497   1HZ   LYS  62          1HZ       LYS  62 -16.323 -14.150  20.446
  498   2HZ   LYS  62          3HZ       LYS  62 -17.812 -13.359  20.267
  499   3HZ   LYS  62          2HZ       LYS  62 -16.405 -12.676  19.607
  500    H    GLU  63           HN       GLU  63  -9.601 -11.267  22.780
  501    HA   GLU  63           HA       GLU  63  -8.581 -13.028  24.983
  502   1HB   GLU  63          2HB       GLU  63  -7.077 -13.942  23.420
  503   2HB   GLU  63          1HB       GLU  63  -8.533 -13.696  22.457
  504   1HG   GLU  63          2HG       GLU  63  -7.613 -11.475  21.740
  505   2HG   GLU  63          1HG       GLU  63  -6.119 -11.867  22.591
  506    HA   PRO  64           HA       PRO  64  -6.233  -9.612  26.462
  507   1HB   PRO  64          2HB       PRO  64  -4.053 -11.318  27.242
  508   2HB   PRO  64          1HB       PRO  64  -5.335 -10.652  28.259
  509   1HG   PRO  64          2HG       PRO  64  -4.986 -13.373  27.441
  510   2HG   PRO  64          1HG       PRO  64  -6.299 -12.698  28.409
  511   1HD   PRO  64          2HD       PRO  64  -6.384 -13.610  25.655
  512   2HD   PRO  64          1HD       PRO  64  -7.727 -13.018  26.660
  513    H    ASN  65           HN       ASN  65  -4.997 -11.809  24.066
  514    HA   ASN  65           HA       ASN  65  -2.470 -10.419  23.617
  515   1HB   ASN  65          2HB       ASN  65  -4.057 -12.384  21.937
  516   2HB   ASN  65          1HB       ASN  65  -2.361 -11.968  21.695
  517   1HD2  ASN  65          1HD2      ASN  65  -3.017 -14.655  22.229
  518   2HD2  ASN  65          2HD2      ASN  65  -2.491 -15.067  23.790
  519    H    ALA  66           HN       ALA  66  -5.754  -9.986  22.511
  520    HA   ALA  66           HA       ALA  66  -5.510  -8.808  19.999
  521   1HB   ALA  66          3HB       ALA  66  -7.303  -8.773  22.259
  522   2HB   ALA  66          1HB       ALA  66  -7.684  -8.524  20.555
  523   3HB   ALA  66          2HB       ALA  66  -7.211  -7.156  21.562
  524    H    GLN  67           HN       GLN  67  -4.722  -7.388  23.160
  525    HA   GLN  67           HA       GLN  67  -4.215  -4.715  22.320
  526   1HB   GLN  67          2HB       GLN  67  -3.074  -6.465  24.517
  527   2HB   GLN  67          1HB       GLN  67  -2.797  -4.726  24.421
  528   1HG   GLN  67          2HG       GLN  67  -5.243  -4.345  24.481
  529   2HG   GLN  67          1HG       GLN  67  -5.504  -6.085  24.610
  530   1HE2  GLN  67          1HE2      GLN  67  -6.476  -4.524  26.698
  531   2HE2  GLN  67          2HE2      GLN  67  -5.509  -4.719  28.079
  532    H    GLU  68           HN       GLU  68  -2.071  -7.566  22.468
  533    HA   GLU  68           HA       GLU  68   0.253  -6.070  21.500
  534   1HB   GLU  68          2HB       GLU  68  -0.373  -9.014  21.894
  535   2HB   GLU  68          1HB       GLU  68   1.226  -8.388  21.488
  536   1HG   GLU  68          2HG       GLU  68   1.189  -7.004  23.548
  537   2HG   GLU  68          1HG       GLU  68  -0.388  -7.679  23.959
  538    H    ILE  69           HN       ILE  69  -2.222  -8.204  20.123
  539    HA   ILE  69           HA       ILE  69  -0.952  -8.469  17.524
  540    HB   ILE  69           HB       ILE  69  -3.829  -8.785  18.447
  541   1HG1  ILE  69          2HG1      ILE  69  -1.708 -10.911  18.058
  542   2HG1  ILE  69          1HG1      ILE  69  -2.060 -10.176  19.622
  543   1HG2  ILE  69          2HG2      ILE  69  -2.386  -9.359  15.888
  544   2HG2  ILE  69          1HG2      ILE  69  -3.630 -10.493  16.414
  545   3HG2  ILE  69          3HG2      ILE  69  -4.039  -8.799  16.139
  546   1HD1  ILE  69          3HD1      ILE  69  -4.549 -10.924  18.450
  547   2HD1  ILE  69          2HD1      ILE  69  -3.460 -12.304  18.307
  548   3HD1  ILE  69          1HD1      ILE  69  -3.783 -11.597  19.889
  549    H    LEU  70           HN       LEU  70  -3.700  -6.508  18.729
  550    HA   LEU  70           HA       LEU  70  -4.385  -5.104  16.421
  551   1HB   LEU  70          2HB       LEU  70  -5.583  -4.883  18.510
  552   2HB   LEU  70          1HB       LEU  70  -4.157  -4.232  19.317
  553    HG   LEU  70           HG       LEU  70  -5.965  -2.548  18.552
  554   1HD1  LEU  70          3HD1      LEU  70  -3.321  -2.276  19.001
  555   2HD1  LEU  70          2HD1      LEU  70  -3.371  -1.788  17.307
  556   3HD1  LEU  70          1HD1      LEU  70  -4.341  -0.926  18.501
  557   1HD2  LEU  70          1HD2      LEU  70  -4.684  -3.294  15.909
  558   2HD2  LEU  70          3HD2      LEU  70  -6.392  -3.403  16.333
  559   3HD2  LEU  70          2HD2      LEU  70  -5.626  -1.825  16.158
  560    H    GLN  71           HN       GLN  71  -1.976  -3.997  18.849
  561    HA   GLN  71           HA       GLN  71  -0.994  -1.731  17.566
  562   1HB   GLN  71          2HB       GLN  71   0.475  -3.916  19.077
  563   2HB   GLN  71          1HB       GLN  71   1.127  -2.305  18.774
  564   1HG   GLN  71          2HG       GLN  71  -0.730  -1.293  20.012
  565   2HG   GLN  71          1HG       GLN  71  -1.458  -2.880  20.259
  566   1HE2  GLN  71          1HE2      GLN  71  -0.720  -1.269  22.494
  567   2HE2  GLN  71          2HE2      GLN  71   0.586  -2.006  23.289
  568    H    ARG  72           HN       ARG  72   0.219  -5.079  17.114
  569    HA   ARG  72           HA       ARG  72   2.129  -4.521  15.092
  570   1HB   ARG  72          2HB       ARG  72   0.371  -6.939  15.613
  571   2HB   ARG  72          1HB       ARG  72   1.801  -6.954  14.582
  572   1HG   ARG  72          2HG       ARG  72   3.153  -6.162  16.538
  573   2HG   ARG  72          1HG       ARG  72   1.715  -6.318  17.546
  574   1HD   ARG  72          2HD       ARG  72   1.592  -8.752  16.844
  575   2HD   ARG  72          1HD       ARG  72   3.177  -8.538  16.076
  576    HE   ARG  72           HE       ARG  72   2.627  -8.356  18.997
  577   1HH1  ARG  72          1HH1      ARG  72   4.748  -7.417  16.493
  578   2HH1  ARG  72          2HH1      ARG  72   6.192  -7.803  17.368
  579   1HH2  ARG  72          1HH2      ARG  72   4.507  -9.175  20.069
  580   2HH2  ARG  72          2HH2      ARG  72   6.056  -8.799  19.391
  581    H    LEU  73           HN       LEU  73  -1.156  -5.888  14.582
  582    HA   LEU  73           HA       LEU  73  -1.318  -5.732  11.812
  583   1HB   LEU  73          2HB       LEU  73  -3.417  -5.040  13.894
  584   2HB   LEU  73          1HB       LEU  73  -3.765  -5.459  12.218
  585    HG   LEU  73           HG       LEU  73  -2.720  -7.207  14.429
  586   1HD1  LEU  73          2HD1      LEU  73  -5.181  -6.940  13.467
  587   2HD1  LEU  73          1HD1      LEU  73  -4.570  -8.030  12.223
  588   3HD1  LEU  73          3HD1      LEU  73  -4.557  -8.527  13.916
  589   1HD2  LEU  73          3HD2      LEU  73  -2.388  -7.722  11.455
  590   2HD2  LEU  73          2HD2      LEU  73  -1.077  -7.412  12.593
  591   3HD2  LEU  73          1HD2      LEU  73  -2.045  -8.880  12.740
  592    H    GLU  74           HN       GLU  74  -2.313  -3.117  14.063
  593    HA   GLU  74           HA       GLU  74  -2.934  -1.125  12.189
  594   1HB   GLU  74          2HB       GLU  74  -1.504  -0.915  14.860
  595   2HB   GLU  74          1HB       GLU  74  -2.320   0.419  14.045
  596   1HG   GLU  74          2HG       GLU  74  -3.654  -2.165  14.904
  597   2HG   GLU  74          1HG       GLU  74  -3.760  -0.637  15.776
  598    H    GLU  75           HN       GLU  75   0.277  -1.984  13.521
  599    HA   GLU  75           HA       GLU  75   1.748   0.069  12.152
  600   1HB   GLU  75          2HB       GLU  75   2.419  -1.336  14.147
  601   2HB   GLU  75          1HB       GLU  75   2.653  -2.687  13.040
  602   1HG   GLU  75          2HG       GLU  75   4.283  -1.306  11.753
  603   2HG   GLU  75          1HG       GLU  75   4.095  -0.020  12.945
  604    H    ILE  76           HN       ILE  76   1.318  -3.415  11.395
  605    HA   ILE  76           HA       ILE  76   2.698  -3.322   8.878
  606    HB   ILE  76           HB       ILE  76   0.500  -5.148   9.911
  607   1HG1  ILE  76          2HG1      ILE  76   3.522  -5.373  10.080
  608   2HG1  ILE  76          1HG1      ILE  76   2.458  -4.960  11.424
  609   1HG2  ILE  76          1HG2      ILE  76   0.920  -5.335   7.467
  610   2HG2  ILE  76          3HG2      ILE  76   2.631  -5.612   7.800
  611   3HG2  ILE  76          2HG2      ILE  76   1.427  -6.784   8.335
  612   1HD1  ILE  76          3HD1      ILE  76   1.230  -7.195  10.737
  613   2HD1  ILE  76          2HD1      ILE  76   2.785  -7.580  10.000
  614   3HD1  ILE  76          1HD1      ILE  76   2.686  -7.256  11.731
  615    H    ALA  77           HN       ALA  77  -0.714  -2.909   9.785
  616    HA   ALA  77           HA       ALA  77  -1.873  -2.831   7.195
  617   1HB   ALA  77          1HB       ALA  77  -3.149  -2.909   9.277
  618   2HB   ALA  77          3HB       ALA  77  -2.509  -1.340   9.764
  619   3HB   ALA  77          2HB       ALA  77  -3.608  -1.455   8.390
  620    H    GLU  78           HN       GLU  78  -0.183  -0.352   9.074
  621    HA   GLU  78           HA       GLU  78  -0.767   1.908   7.427
  622   1HB   GLU  78          2HB       GLU  78   0.202   1.882   9.734
  623   2HB   GLU  78          1HB       GLU  78   1.710   1.267   9.060
  624   1HG   GLU  78          2HG       GLU  78   1.827   3.296   7.597
  625   2HG   GLU  78          1HG       GLU  78   0.395   3.923   8.415
  626    H    ASP  79           HN       ASP  79   1.821  -0.546   7.244
  627    HA   ASP  79           HA       ASP  79   2.312   0.256   4.423
  628   1HB   ASP  79          2HB       ASP  79   3.959   0.907   6.729
  629   2HB   ASP  79          1HB       ASP  79   4.860  -0.055   5.558
  630    HA   PRO  80           HA       PRO  80   2.827  -4.036   3.717
  631   1HB   PRO  80          2HB       PRO  80   5.167  -3.697   2.078
  632   2HB   PRO  80          1HB       PRO  80   3.498  -3.941   1.555
  633   1HG   PRO  80          2HG       PRO  80   5.067  -1.527   1.428
  634   2HG   PRO  80          1HG       PRO  80   3.414  -1.784   0.863
  635   1HD   PRO  80          2HD       PRO  80   4.269  -0.252   3.141
  636   2HD   PRO  80          1HD       PRO  80   2.600  -0.571   2.614
  637    H    GLY  81           HN       GLY  81   6.200  -2.850   3.589
  638   1HA   GLY  81          1HA       GLY  81   6.853  -4.088   6.162
  639   2HA   GLY  81          2HA       GLY  81   7.992  -3.290   5.076
  640    H    THR  82           HN       THR  82   7.914  -6.054   6.447
  641    HA   THR  82           HA       THR  82   9.100  -7.522   4.216
  642    HB   THR  82           HB       THR  82   9.563  -9.161   5.976
  643    HG1  THR  82          1HG       THR  82   7.431  -8.902   6.931
  644   1HG2  THR  82          3HG2      THR  82   9.907  -6.245   6.576
  645   2HG2  THR  82          2HG2      THR  82  10.400  -7.430   7.786
  646   3HG2  THR  82          1HG2      THR  82  11.126  -7.456   6.179
  647    H    CYS  83           HN       CYS  83   5.985  -7.381   5.769
  648    HA   CYS  83           HA       CYS  83   4.913  -9.933   5.219
  649   1HB   CYS  83          2HB       CYS  83   3.898  -7.978   6.482
  650   2HB   CYS  83          1HB       CYS  83   3.497  -7.269   4.917
  651    H    GLU  84           HN       GLU  84   4.814  -7.029   3.121
  652    HA   GLU  84           HA       GLU  84   3.544  -8.164   0.878
  653   1HB   GLU  84          2HB       GLU  84   4.077  -5.765   1.299
  654   2HB   GLU  84          1HB       GLU  84   5.776  -6.111   0.971
  655   1HG   GLU  84          2HG       GLU  84   5.119  -6.937  -1.298
  656   2HG   GLU  84          1HG       GLU  84   3.460  -6.441  -0.961
  657    H    ILE  85           HN       ILE  85   6.961  -8.355   1.849
  658    HA   ILE  85           HA       ILE  85   7.581  -9.860  -0.650
  659    HB   ILE  85           HB       ILE  85   9.874  -9.373  -0.082
  660   1HG1  ILE  85          2HG1      ILE  85   8.722  -8.696   2.629
  661   2HG1  ILE  85          1HG1      ILE  85   9.969  -9.882   2.246
  662   1HG2  ILE  85          3HG2      ILE  85   7.886  -7.387  -0.348
  663   2HG2  ILE  85          2HG2      ILE  85   8.984  -6.805   0.904
  664   3HG2  ILE  85          1HG2      ILE  85   9.608  -7.221  -0.693
  665   1HD1  ILE  85          1HD1      ILE  85  11.244  -7.768   1.299
  666   2HD1  ILE  85          3HD1      ILE  85  10.172  -6.894   2.393
  667   3HD1  ILE  85          2HD1      ILE  85  11.270  -8.119   3.026
  668    H    CYS  86           HN       CYS  86   6.244 -10.709   2.145
  669    HA   CYS  86           HA       CYS  86   6.136 -12.742   3.346
  670   1HB   CYS  86          2HB       CYS  86   6.866 -13.240   0.653
  671   2HB   CYS  86          1HB       CYS  86   7.885 -14.285   1.645
  672    H    ALA  87           HN       ALA  87   8.787 -10.875   3.207
  673    HA   ALA  87           HA       ALA  87  10.977 -12.507   4.024
  674   1HB   ALA  87          3HB       ALA  87  11.454 -10.171   5.267
  675   2HB   ALA  87          1HB       ALA  87  10.117  -9.654   4.240
  676   3HB   ALA  87          2HB       ALA  87  11.576 -10.330   3.515
  677    H    TYR  88           HN       TYR  88   8.045 -11.725   5.614
  678    HA   TYR  88           HA       TYR  88   9.109 -12.872   8.167
  679   1HB   TYR  88          2HB       TYR  88   8.888 -10.330   8.089
  680   2HB   TYR  88          1HB       TYR  88   7.149 -10.574   7.934
  681    HD1  TYR  88           HD1      TYR  88  10.054 -11.591  10.073
  682    HD2  TYR  88           HD2      TYR  88   5.840 -10.789   9.859
  683    HE1  TYR  88           HE1      TYR  88   9.876 -11.873  12.531
  684    HE2  TYR  88           HE2      TYR  88   5.660 -11.073  12.316
  685    HH   TYR  88           HH       TYR  88   6.763 -11.410  14.210
  686    H    ALA  89           HN       ALA  89   7.301 -13.731   9.540
  687    HA   ALA  89           HA       ALA  89   5.443 -15.318   7.977
  688   1HB   ALA  89          1HB       ALA  89   6.613 -15.344  10.500
  689   2HB   ALA  89          3HB       ALA  89   4.910 -15.040  10.845
  690   3HB   ALA  89          2HB       ALA  89   5.383 -16.473   9.931
  691    H    ALA  90           HN       ALA  90   5.334 -12.099   8.651
  692    HA   ALA  90           HA       ALA  90   2.698 -11.654   9.674
  693   1HB   ALA  90          3HB       ALA  90   4.744 -10.140   8.078
  694   2HB   ALA  90          2HB       ALA  90   3.148  -9.432   8.327
  695   3HB   ALA  90          1HB       ALA  90   4.163  -9.830   9.714
  696    H    CYS  91           HN       CYS  91   3.927 -11.904   6.323
  697    HA   CYS  91           HA       CYS  91   1.147 -11.714   5.286
  698   1HB   CYS  91          2HB       CYS  91   3.821 -11.072   4.417
  699   2HB   CYS  91          1HB       CYS  91   3.045 -12.115   3.227
  700    H    THR  92           HN       THR  92   0.050 -13.632   5.148
  701    HA   THR  92           HA       THR  92   1.602 -16.136   4.609
  702    HB   THR  92           HB       THR  92  -0.309 -17.242   5.649
  703    HG1  THR  92          1HG       THR  92  -1.431 -14.717   5.247
  704   1HG2  THR  92          2HG2      THR  92   1.419 -15.506   6.933
  705   2HG2  THR  92          1HG2      THR  92  -0.161 -15.008   7.537
  706   3HG2  THR  92          3HG2      THR  92   0.370 -16.679   7.728
  707    H    GLY  93           HN       GLY  93   0.269 -17.767   3.263
  708   1HA   GLY  93          1HA       GLY  93  -1.426 -16.418   1.220
  709   2HA   GLY  93          2HA       GLY  93  -1.367 -18.159   1.505
  710    H    CYS  94           HN       CYS  94   1.531 -16.181   1.320
  711    HA   CYS  94           HA       CYS  94   2.052 -17.013  -1.478
  712   1HB   CYS  94          2HB       CYS  94   3.999 -15.484  -1.178
  713   2HB   CYS  94          1HB       CYS  94   2.478 -14.706  -0.746

  No H/Q in entry =         713
  Start of MODEL   14
    1    H1   VAL   1          3H        VAL   1  -2.475 -12.939   0.451
    2    H2   VAL   1          2H        VAL   1  -1.328 -13.022  -0.799
    3    H3   VAL   1          1H        VAL   1  -1.122 -13.948   0.610
    4    HA   VAL   1           HA       VAL   1   0.250 -12.271   1.223
    5    HB   VAL   1           HB       VAL   1  -1.439 -10.691  -0.739
    6   1HG1  VAL   1          3HG1      VAL   1   0.494  -9.816   1.295
    7   2HG1  VAL   1          2HG1      VAL   1   0.892  -9.268  -0.334
    8   3HG1  VAL   1          1HG1      VAL   1  -0.673  -8.868   0.373
    9   1HG2  VAL   1          2HG2      VAL   1   0.471 -12.568  -1.231
   10   2HG2  VAL   1          1HG2      VAL   1   0.151 -11.199  -2.295
   11   3HG2  VAL   1          3HG2      VAL   1   1.466 -11.116  -1.123
   12    H    THR   2           HN       THR   2  -1.556 -13.005   3.007
   13    HA   THR   2           HA       THR   2  -2.888 -10.483   3.953
   14    HB   THR   2           HB       THR   2  -3.646 -13.386   4.414
   15    HG1  THR   2          1HG       THR   2  -5.256 -12.964   2.912
   16   1HG2  THR   2          3HG2      THR   2  -4.345 -11.068   5.825
   17   2HG2  THR   2          2HG2      THR   2  -5.720 -11.388   4.768
   18   3HG2  THR   2          1HG2      THR   2  -5.164 -12.629   5.892
   19    H    VAL   3           HN       VAL   3  -2.754 -10.073   6.245
   20    HA   VAL   3           HA       VAL   3  -0.329 -11.116   7.519
   21    HB   VAL   3           HB       VAL   3  -2.526  -9.179   8.307
   22   1HG1  VAL   3          1HG1      VAL   3  -0.958 -10.536  10.102
   23   2HG1  VAL   3          3HG1      VAL   3   0.036  -9.116   9.773
   24   3HG1  VAL   3          2HG1      VAL   3  -1.611  -8.921  10.375
   25   1HG2  VAL   3          1HG2      VAL   3   0.043  -9.027   6.876
   26   2HG2  VAL   3          3HG2      VAL   3  -1.323  -7.911   6.856
   27   3HG2  VAL   3          2HG2      VAL   3  -0.133  -7.827   8.156
   28    H    GLN   4           HN       GLN   4  -0.439 -13.119   8.487
   29    HA   GLN   4           HA       GLN   4  -2.992 -13.881   9.859
   30   1HB   GLN   4          2HB       GLN   4  -2.210 -15.272   7.952
   31   2HB   GLN   4          1HB       GLN   4  -0.692 -15.557   8.801
   32   1HG   GLN   4          2HG       GLN   4  -2.088 -16.485  10.722
   33   2HG   GLN   4          1HG       GLN   4  -3.466 -16.443   9.624
   34   1HE2  GLN   4          1HE2      GLN   4  -3.748 -18.297   8.374
   35   2HE2  GLN   4          2HE2      GLN   4  -2.541 -19.445   8.050
   36    H    ASP   5           HN       ASP   5  -2.921 -14.154  12.055
   37    HA   ASP   5           HA       ASP   5  -0.321 -13.812  13.446
   38   1HB   ASP   5          2HB       ASP   5  -2.335 -12.473  14.038
   39   2HB   ASP   5          1HB       ASP   5  -3.182 -13.963  14.452
   40    H    GLY   6           HN       GLY   6  -3.113 -15.769  14.417
   41   1HA   GLY   6          1HA       GLY   6  -2.902 -17.838  15.649
   42   2HA   GLY   6          2HA       GLY   6  -1.253 -17.996  15.042
   43    H    ASN   7           HN       ASN   7  -4.081 -19.503  14.819
   44    HA   ASN   7           HA       ASN   7  -3.445 -20.721  12.238
   45   1HB   ASN   7          2HB       ASN   7  -5.728 -21.075  14.206
   46   2HB   ASN   7          1HB       ASN   7  -5.356 -22.169  12.875
   47   1HD2  ASN   7          1HD2      ASN   7  -5.296 -23.047  15.616
   48   2HD2  ASN   7          2HD2      ASN   7  -3.688 -23.415  16.018
   49    H    PHE   8           HN       PHE   8  -4.795 -17.828  12.779
   50    HA   PHE   8           HA       PHE   8  -6.833 -18.157  10.599
   51   1HB   PHE   8          2HB       PHE   8  -6.796 -16.333  13.026
   52   2HB   PHE   8          1HB       PHE   8  -8.042 -16.316  11.776
   53    HD1  PHE   8           HD1      PHE   8  -9.599 -18.199  11.516
   54    HD2  PHE   8           HD2      PHE   8  -6.630 -18.166  14.620
   55    HE1  PHE   8           HE1      PHE   8 -10.772 -20.062  12.659
   56    HE2  PHE   8           HE2      PHE   8  -7.804 -20.026  15.763
   57    HZ   PHE   8           HZ       PHE   8  -9.875 -20.974  14.782
   58    H    SER   9           HN       SER   9  -6.632 -16.736   8.881
   59    HA   SER   9           HA       SER   9  -4.259 -14.972   8.823
   60   1HB   SER   9          2HB       SER   9  -4.720 -14.934   6.445
   61   2HB   SER   9          1HB       SER   9  -4.955 -16.590   7.004
   62    HG   SER   9           HG       SER   9  -6.701 -15.988   5.743
   63    H    PHE  10           HN       PHE  10  -4.389 -12.757   9.002
   64    HA   PHE  10           HA       PHE  10  -7.127 -11.533   9.093
   65   1HB   PHE  10          2HB       PHE  10  -4.516 -10.773  10.445
   66   2HB   PHE  10          1HB       PHE  10  -6.049  -9.924  10.652
   67    HD1  PHE  10           HD1      PHE  10  -8.037 -11.214  11.583
   68    HD2  PHE  10           HD2      PHE  10  -4.024 -12.729  11.692
   69    HE1  PHE  10           HE1      PHE  10  -8.699 -12.829  13.345
   70    HE2  PHE  10           HE2      PHE  10  -4.682 -14.346  13.454
   71    HZ   PHE  10           HZ       PHE  10  -7.019 -14.396  14.280
   72    H    SER  11           HN       SER  11  -7.532 -10.159   7.399
   73    HA   SER  11           HA       SER  11  -5.476  -9.356   5.521
   74   1HB   SER  11          2HB       SER  11  -8.341  -8.451   5.967
   75   2HB   SER  11          1HB       SER  11  -7.393  -8.130   4.515
   76    HG   SER  11           HG       SER  11  -8.243 -10.627   5.538
   77    H    LEU  12           HN       LEU  12  -5.273  -6.916   4.949
   78    HA   LEU  12           HA       LEU  12  -4.769  -5.419   7.482
   79   1HB   LEU  12          2HB       LEU  12  -3.785  -5.045   4.636
   80   2HB   LEU  12          1HB       LEU  12  -3.228  -4.130   6.035
   81    HG   LEU  12           HG       LEU  12  -2.627  -6.408   7.073
   82   1HD1  LEU  12          2HD1      LEU  12  -3.449  -7.163   4.306
   83   2HD1  LEU  12          1HD1      LEU  12  -2.033  -7.973   4.976
   84   3HD1  LEU  12          3HD1      LEU  12  -3.584  -8.079   5.808
   85   1HD2  LEU  12          1HD2      LEU  12  -1.081  -4.668   5.902
   86   2HD2  LEU  12          3HD2      LEU  12  -0.459  -6.299   6.157
   87   3HD2  LEU  12          2HD2      LEU  12  -1.056  -5.821   4.568
   88    H    GLU  13           HN       GLU  13  -7.203  -5.598   5.227
   89    HA   GLU  13           HA       GLU  13  -7.636  -2.808   4.594
   90   1HB   GLU  13          2HB       GLU  13  -9.504  -5.199   4.696
   91   2HB   GLU  13          1HB       GLU  13  -9.845  -3.677   3.874
   92   1HG   GLU  13          2HG       GLU  13  -7.880  -4.019   2.422
   93   2HG   GLU  13          1HG       GLU  13  -7.534  -5.539   3.246
   94    H    SER  14           HN       SER  14  -9.929  -4.792   6.452
   95    HA   SER  14           HA       SER  14 -11.306  -2.849   7.815
   96   1HB   SER  14          2HB       SER  14 -10.265  -5.350   9.151
   97   2HB   SER  14          1HB       SER  14 -11.831  -4.572   9.386
   98    HG   SER  14           HG       SER  14 -12.433  -5.188   7.343
   99    H    VAL  15           HN       VAL  15  -8.210  -4.270   8.947
  100    HA   VAL  15           HA       VAL  15  -8.010  -2.678  11.317
  101    HB   VAL  15           HB       VAL  15  -5.564  -3.340  11.075
  102   1HG1  VAL  15          2HG1      VAL  15  -7.757  -4.769  11.833
  103   2HG1  VAL  15          1HG1      VAL  15  -7.114  -5.812  10.563
  104   3HG1  VAL  15          3HG1      VAL  15  -6.105  -5.380  11.943
  105   1HG2  VAL  15          2HG2      VAL  15  -6.617  -4.047   8.394
  106   2HG2  VAL  15          1HG2      VAL  15  -4.979  -3.623   8.885
  107   3HG2  VAL  15          3HG2      VAL  15  -5.582  -5.259   9.147
  108    H    LYS  16           HN       LYS  16  -6.504  -2.230   8.082
  109    HA   LYS  16           HA       LYS  16  -5.176   0.212   8.574
  110   1HB   LYS  16          2HB       LYS  16  -4.977  -1.125   6.519
  111   2HB   LYS  16          1HB       LYS  16  -6.662  -0.788   6.117
  112   1HG   LYS  16          2HG       LYS  16  -6.074   1.672   6.113
  113   2HG   LYS  16          1HG       LYS  16  -4.381   1.203   6.269
  114   1HD   LYS  16          2HD       LYS  16  -4.593  -0.143   4.182
  115   2HD   LYS  16          1HD       LYS  16  -6.256   0.421   4.015
  116   1HE   LYS  16          2HE       LYS  16  -4.107   2.485   4.361
  117   2HE   LYS  16          1HE       LYS  16  -4.274   1.700   2.778
  118   1HZ   LYS  16          1HZ       LYS  16  -6.700   2.151   2.945
  119   2HZ   LYS  16          3HZ       LYS  16  -6.403   3.072   4.338
  120   3HZ   LYS  16          2HZ       LYS  16  -5.759   3.562   2.844
  121    H    LYS  17           HN       LYS  17  -8.490  -0.263   7.288
  122    HA   LYS  17           HA       LYS  17  -9.173   2.566   7.617
  123   1HB   LYS  17          2HB       LYS  17 -10.773   0.065   6.975
  124   2HB   LYS  17          1HB       LYS  17 -11.389   1.710   6.835
  125   1HG   LYS  17          2HG       LYS  17  -9.571   2.222   5.214
  126   2HG   LYS  17          1HG       LYS  17  -9.038   0.544   5.315
  127   1HD   LYS  17          2HD       LYS  17 -11.318  -0.172   4.569
  128   2HD   LYS  17          1HD       LYS  17 -11.742   1.525   4.351
  129   1HE   LYS  17          2HE       LYS  17  -9.439   0.121   2.943
  130   2HE   LYS  17          1HE       LYS  17 -11.007   0.502   2.206
  131   1HZ   LYS  17          1HZ       LYS  17 -10.255   2.819   3.441
  132   2HZ   LYS  17          3HZ       LYS  17  -8.798   2.243   2.792
  133   3HZ   LYS  17          2HZ       LYS  17 -10.135   2.504   1.776
  134    H    LEU  18           HN       LEU  18  -8.709   0.206   9.856
  135    HA   LEU  18           HA       LEU  18 -11.025   0.078  11.460
  136   1HB   LEU  18          2HB       LEU  18  -8.885  -1.209  11.651
  137   2HB   LEU  18          1HB       LEU  18  -8.113   0.237  12.301
  138    HG   LEU  18           HG       LEU  18  -9.420   0.188  14.271
  139   1HD1  LEU  18          2HD1      LEU  18 -11.229  -1.634  12.679
  140   2HD1  LEU  18          1HD1      LEU  18 -11.342  -1.524  14.436
  141   3HD1  LEU  18          3HD1      LEU  18 -11.627  -0.095  13.444
  142   1HD2  LEU  18          2HD2      LEU  18  -7.722  -1.683  14.038
  143   2HD2  LEU  18          1HD2      LEU  18  -9.020  -2.007  15.189
  144   3HD2  LEU  18          3HD2      LEU  18  -9.058  -2.743  13.587
  145    H    LYS  19           HN       LYS  19  -8.518   2.601  11.268
  146    HA   LYS  19           HA       LYS  19  -9.163   4.145  13.538
  147   1HB   LYS  19          2HB       LYS  19  -7.275   4.505  11.953
  148   2HB   LYS  19          1HB       LYS  19  -8.424   5.070  10.739
  149   1HG   LYS  19          2HG       LYS  19  -7.571   7.045  11.778
  150   2HG   LYS  19          1HG       LYS  19  -9.175   6.801  12.472
  151   1HD   LYS  19          2HD       LYS  19  -8.175   5.715  14.439
  152   2HD   LYS  19          1HD       LYS  19  -6.566   5.909  13.741
  153   1HE   LYS  19          2HE       LYS  19  -7.633   8.482  13.622
  154   2HE   LYS  19          1HE       LYS  19  -8.194   7.863  15.187
  155   1HZ   LYS  19          3HZ       LYS  19  -5.434   7.325  14.316
  156   2HZ   LYS  19          2HZ       LYS  19  -5.805   8.851  14.964
  157   3HZ   LYS  19          1HZ       LYS  19  -6.055   7.448  15.889
  158    H    ASP  20           HN       ASP  20 -10.672   4.141  10.309
  159    HA   ASP  20           HA       ASP  20 -12.871   5.865  11.397
  160   1HB   ASP  20          2HB       ASP  20 -13.211   6.476   9.038
  161   2HB   ASP  20          1HB       ASP  20 -11.523   6.724   9.481
  162    H    LEU  21           HN       LEU  21 -14.910   4.947  11.496
  163    HA   LEU  21           HA       LEU  21 -15.217   2.108  10.861
  164   1HB   LEU  21          2HB       LEU  21 -16.182   3.603  12.792
  165   2HB   LEU  21          1HB       LEU  21 -17.434   3.998  11.612
  166    HG   LEU  21           HG       LEU  21 -18.177   2.085  12.921
  167   1HD1  LEU  21          2HD1      LEU  21 -18.295   2.197  10.265
  168   2HD1  LEU  21          1HD1      LEU  21 -17.255   0.777  10.392
  169   3HD1  LEU  21          3HD1      LEU  21 -18.853   0.769  11.138
  170   1HD2  LEU  21          1HD2      LEU  21 -15.466   1.459  13.018
  171   2HD2  LEU  21          3HD2      LEU  21 -16.779   0.450  13.625
  172   3HD2  LEU  21          2HD2      LEU  21 -16.148   0.192  11.998
  173    H    GLN  22           HN       GLN  22 -15.569   1.511   8.761
  174    HA   GLN  22           HA       GLN  22 -17.742   2.842   7.243
  175   1HB   GLN  22          2HB       GLN  22 -14.841   2.644   6.373
  176   2HB   GLN  22          1HB       GLN  22 -16.159   3.082   5.287
  177   1HG   GLN  22          2HG       GLN  22 -16.721   4.995   6.767
  178   2HG   GLN  22          1HG       GLN  22 -15.368   4.566   7.814
  179   1HE2  GLN  22          1HE2      GLN  22 -15.422   7.107   6.535
  180   2HE2  GLN  22          2HE2      GLN  22 -14.200   7.155   5.358
  181    H    GLU  23           HN       GLU  23 -18.083   1.555   5.111
  182    HA   GLU  23           HA       GLU  23 -17.389  -1.335   5.545
  183   1HB   GLU  23          2HB       GLU  23 -19.976   0.015   4.725
  184   2HB   GLU  23          1HB       GLU  23 -19.711  -1.722   4.571
  185   1HG   GLU  23          2HG       GLU  23 -19.026  -1.610   7.079
  186   2HG   GLU  23          1HG       GLU  23 -19.856  -0.053   7.076
  187    HA   PRO  24           HA       PRO  24 -16.049   0.274   1.335
  188   1HB   PRO  24          2HB       PRO  24 -13.668  -1.289   1.740
  189   2HB   PRO  24          1HB       PRO  24 -13.815   0.469   1.659
  190   1HG   PRO  24          2HG       PRO  24 -13.285  -1.151   3.971
  191   2HG   PRO  24          1HG       PRO  24 -13.435   0.606   3.889
  192   1HD   PRO  24          2HD       PRO  24 -15.296  -1.283   5.038
  193   2HD   PRO  24          1HD       PRO  24 -15.442   0.489   4.964
  194    H    GLN  25           HN       GLN  25 -16.545  -0.976  -0.463
  195    HA   GLN  25           HA       GLN  25 -17.535  -3.651  -0.204
  196   1HB   GLN  25          2HB       GLN  25 -16.575  -2.041  -2.589
  197   2HB   GLN  25          1HB       GLN  25 -17.530  -3.519  -2.702
  198   1HG   GLN  25          2HG       GLN  25 -19.358  -2.471  -1.464
  199   2HG   GLN  25          1HG       GLN  25 -18.397  -1.010  -1.232
  200   1HE2  GLN  25          1HE2      GLN  25 -20.906  -0.897  -2.593
  201   2HE2  GLN  25          2HE2      GLN  25 -20.622  -0.535  -4.226
  202    H    GLU  26           HN       GLU  26 -14.374  -2.345  -1.068
  203    HA   GLU  26           HA       GLU  26 -12.351  -3.454  -1.643
  204   1HB   GLU  26          2HB       GLU  26 -13.637  -4.730   0.739
  205   2HB   GLU  26          1HB       GLU  26 -12.167  -5.464   0.100
  206   1HG   GLU  26          2HG       GLU  26 -12.501  -2.578   0.973
  207   2HG   GLU  26          1HG       GLU  26 -11.573  -3.822   1.811
  208    HA   PRO  27           HA       PRO  27 -14.844  -6.810  -3.940
  209   1HB   PRO  27          2HB       PRO  27 -14.071  -5.500  -6.377
  210   2HB   PRO  27          1HB       PRO  27 -15.697  -5.697  -5.720
  211   1HG   PRO  27          2HG       PRO  27 -14.127  -3.292  -5.863
  212   2HG   PRO  27          1HG       PRO  27 -15.758  -3.489  -5.217
  213   1HD   PRO  27          2HD       PRO  27 -13.319  -3.023  -3.746
  214   2HD   PRO  27          1HD       PRO  27 -14.963  -3.237  -3.098
  215    H    ARG  28           HN       ARG  28 -11.883  -5.087  -4.921
  216    HA   ARG  28           HA       ARG  28 -10.477  -7.722  -5.094
  217   1HB   ARG  28          2HB       ARG  28 -10.515  -5.446  -7.100
  218   2HB   ARG  28          1HB       ARG  28  -9.410  -6.816  -7.191
  219   1HG   ARG  28          2HG       ARG  28 -11.365  -8.354  -7.260
  220   2HG   ARG  28          1HG       ARG  28 -12.440  -6.957  -7.247
  221   1HD   ARG  28          2HD       ARG  28 -12.147  -7.670  -9.564
  222   2HD   ARG  28          1HD       ARG  28 -11.257  -6.150  -9.348
  223    HE   ARG  28           HE       ARG  28  -9.498  -8.268  -8.658
  224   1HH1  ARG  28          1HH1      ARG  28 -11.453  -8.559 -11.300
  225   2HH1  ARG  28          2HH1      ARG  28 -10.202  -8.456 -12.492
  226   1HH2  ARG  28          1HH2      ARG  28  -7.760  -7.480 -10.231
  227   2HH2  ARG  28          2HH2      ARG  28  -8.111  -7.844 -11.887
  228    H    VAL  29           HN       VAL  29  -8.093  -7.462  -4.913
  229    HA   VAL  29           HA       VAL  29  -7.262  -5.753  -2.810
  230    HB   VAL  29           HB       VAL  29  -5.037  -6.526  -3.435
  231   1HG1  VAL  29          1HG1      VAL  29  -6.936  -8.153  -2.649
  232   2HG1  VAL  29          3HG1      VAL  29  -6.837  -8.777  -4.296
  233   3HG1  VAL  29          2HG1      VAL  29  -5.420  -8.829  -3.248
  234   1HG2  VAL  29          3HG2      VAL  29  -6.318  -6.667  -6.105
  235   2HG2  VAL  29          2HG2      VAL  29  -4.646  -6.306  -5.676
  236   3HG2  VAL  29          1HG2      VAL  29  -5.201  -7.979  -5.726
  237    H    GLY  30           HN       GLY  30  -6.644  -3.617  -2.792
  238   1HA   GLY  30          1HA       GLY  30  -6.531  -1.416  -3.674
  239   2HA   GLY  30          2HA       GLY  30  -6.800  -2.080  -5.285
  240    H    LYS  31           HN       LYS  31  -4.951  -0.356  -5.560
  241    HA   LYS  31           HA       LYS  31  -2.543  -1.701  -6.252
  242   1HB   LYS  31          2HB       LYS  31  -3.144   1.217  -5.666
  243   2HB   LYS  31          1HB       LYS  31  -1.704   0.645  -6.508
  244   1HG   LYS  31          2HG       LYS  31  -3.186  -0.431  -8.212
  245   2HG   LYS  31          1HG       LYS  31  -4.581   0.283  -7.402
  246   1HD   LYS  31          2HD       LYS  31  -3.558   2.543  -7.750
  247   2HD   LYS  31          1HD       LYS  31  -2.268   1.777  -8.676
  248   1HE   LYS  31          2HE       LYS  31  -3.587   1.831 -10.518
  249   2HE   LYS  31          1HE       LYS  31  -4.779   0.816  -9.683
  250   1HZ   LYS  31          1HZ       LYS  31  -5.281   3.040  -8.442
  251   2HZ   LYS  31          3HZ       LYS  31  -4.603   3.752  -9.824
  252   3HZ   LYS  31          2HZ       LYS  31  -5.968   2.751  -9.969
  253    H    LEU  32           HN       LEU  32  -3.283   0.362  -3.416
  254    HA   LEU  32           HA       LEU  32  -1.107  -1.029  -1.926
  255   1HB   LEU  32          2HB       LEU  32  -1.425   1.982  -2.146
  256   2HB   LEU  32          1HB       LEU  32  -0.150   1.126  -1.278
  257    HG   LEU  32           HG       LEU  32  -0.641   0.909  -4.264
  258   1HD1  LEU  32          1HD1      LEU  32   0.165   3.166  -3.463
  259   2HD1  LEU  32          3HD1      LEU  32   1.589   2.356  -2.810
  260   3HD1  LEU  32          2HD1      LEU  32   1.283   2.338  -4.547
  261   1HD2  LEU  32          1HD2      LEU  32   0.490  -0.989  -2.841
  262   2HD2  LEU  32          3HD2      LEU  32   1.247  -0.468  -4.346
  263   3HD2  LEU  32          2HD2      LEU  32   1.863   0.117  -2.801
  264    H    ARG  33           HN       ARG  33  -1.614  -1.274   0.255
  265    HA   ARG  33           HA       ARG  33  -4.209  -0.082   1.165
  266   1HB   ARG  33          2HB       ARG  33  -2.691  -2.583   1.979
  267   2HB   ARG  33          1HB       ARG  33  -4.221  -2.069   2.688
  268   1HG   ARG  33          2HG       ARG  33  -5.249  -2.147   0.411
  269   2HG   ARG  33          1HG       ARG  33  -3.730  -2.785  -0.219
  270   1HD   ARG  33          2HD       ARG  33  -5.418  -4.093   1.948
  271   2HD   ARG  33          1HD       ARG  33  -5.295  -4.636   0.264
  272    HE   ARG  33           HE       ARG  33  -3.054  -4.657   2.243
  273   1HH1  ARG  33          1HH1      ARG  33  -4.296  -7.132   0.951
  274   2HH1  ARG  33          2HH1      ARG  33  -3.110  -7.506  -0.255
  275   1HH2  ARG  33          1HH2      ARG  33  -1.567  -4.404  -0.078
  276   2HH2  ARG  33          2HH2      ARG  33  -1.565  -5.961  -0.837
  277    H    ASN  34           HN       ASN  34  -2.166   1.679   1.417
  278    HA   ASN  34           HA       ASN  34  -1.268   1.436   4.272
  279   1HB   ASN  34          2HB       ASN  34  -0.037   2.915   1.924
  280   2HB   ASN  34          1HB       ASN  34   0.659   2.785   3.539
  281   1HD2  ASN  34          1HD2      ASN  34   1.570   1.683   0.794
  282   2HD2  ASN  34          2HD2      ASN  34   1.843   0.033   1.090
  283    H    PHE  35           HN       PHE  35  -2.022   3.022   5.633
  284    HA   PHE  35           HA       PHE  35  -2.448   5.761   4.872
  285   1HB   PHE  35          2HB       PHE  35  -4.259   4.542   3.600
  286   2HB   PHE  35          1HB       PHE  35  -4.944   4.062   5.152
  287    HD1  PHE  35           HD1      PHE  35  -4.091   6.976   3.009
  288    HD2  PHE  35           HD2      PHE  35  -6.195   5.599   6.492
  289    HE1  PHE  35           HE1      PHE  35  -5.249   9.163   3.174
  290    HE2  PHE  35           HE2      PHE  35  -7.352   7.786   6.657
  291    HZ   PHE  35           HZ       PHE  35  -6.879   9.567   4.999
  292    H    ALA  36           HN       ALA  36  -3.257   3.089   7.030
  293    HA   ALA  36           HA       ALA  36  -4.300   4.476   9.255
  294   1HB   ALA  36          2HB       ALA  36  -4.215   2.040   9.009
  295   2HB   ALA  36          3HB       ALA  36  -3.407   2.507  10.505
  296   3HB   ALA  36          1HB       ALA  36  -2.454   2.073   9.086
  297    HA   PRO  37           HA       PRO  37  -0.625   7.014  10.005
  298   1HB   PRO  37          2HB       PRO  37  -2.096   8.187  12.180
  299   2HB   PRO  37          1HB       PRO  37  -1.734   8.897  10.605
  300   1HG   PRO  37          2HG       PRO  37  -4.269   7.971  11.572
  301   2HG   PRO  37          1HG       PRO  37  -3.901   8.652   9.986
  302   1HD   PRO  37          2HD       PRO  37  -4.500   5.897  10.654
  303   2HD   PRO  37          1HD       PRO  37  -4.184   6.594   9.047
  304    H    ILE  38           HN       ILE  38   0.365   4.940  10.838
  305    HA   ILE  38           HA       ILE  38   1.276   3.593  12.549
  306    HB   ILE  38           HB       ILE  38   2.405   4.917  14.113
  307   1HG1  ILE  38          2HG1      ILE  38  -0.137   5.893  14.739
  308   2HG1  ILE  38          1HG1      ILE  38   1.371   6.333  15.529
  309   1HG2  ILE  38          2HG2      ILE  38   2.806   5.719  11.808
  310   2HG2  ILE  38          1HG2      ILE  38   1.506   6.895  12.001
  311   3HG2  ILE  38          3HG2      ILE  38   2.963   7.021  12.986
  312   1HD1  ILE  38          1HD1      ILE  38   0.445   7.716  13.009
  313   2HD1  ILE  38          3HD1      ILE  38  -0.069   8.258  14.606
  314   3HD1  ILE  38          2HD1      ILE  38   1.642   8.266  14.181
  315    HA   PRO  39           HA       PRO  39  -1.702   1.984  15.324
  316   1HB   PRO  39          2HB       PRO  39  -0.050   1.980  17.677
  317   2HB   PRO  39          1HB       PRO  39  -0.395   0.633  16.588
  318   1HG   PRO  39          2HG       PRO  39   2.069   2.068  16.880
  319   2HG   PRO  39          1HG       PRO  39   1.712   0.748  15.764
  320   1HD   PRO  39          2HD       PRO  39   2.061   3.558  15.157
  321   2HD   PRO  39          1HD       PRO  39   1.768   2.220  14.023
  322    H    GLY  40           HN       GLY  40  -3.304   2.783  16.717
  323   1HA   GLY  40          1HA       GLY  40  -4.454   4.750  17.529
  324   2HA   GLY  40          2HA       GLY  40  -2.891   5.540  17.737
  325    H    GLU  41           HN       GLU  41  -4.897   2.906  19.022
  326    HA   GLU  41           HA       GLU  41  -3.292   2.636  21.451
  327   1HB   GLU  41          2HB       GLU  41  -5.093   3.612  22.903
  328   2HB   GLU  41          1HB       GLU  41  -4.348   4.803  21.837
  329   1HG   GLU  41          2HG       GLU  41  -6.297   4.051  20.196
  330   2HG   GLU  41          1HG       GLU  41  -7.079   3.580  21.706
  331    HA   PRO  42           HA       PRO  42  -5.426  -1.250  21.014
  332   1HB   PRO  42          2HB       PRO  42  -4.641  -1.934  23.696
  333   2HB   PRO  42          1HB       PRO  42  -3.935  -2.496  22.179
  334   1HG   PRO  42          2HG       PRO  42  -2.809  -0.654  24.078
  335   2HG   PRO  42          1HG       PRO  42  -2.099  -1.226  22.567
  336   1HD   PRO  42          2HD       PRO  42  -3.152   1.396  23.143
  337   2HD   PRO  42          1HD       PRO  42  -2.453   0.815  21.614
  338    H    VAL  43           HN       VAL  43  -7.609  -1.502  21.356
  339    HA   VAL  43           HA       VAL  43  -8.749  -0.729  24.009
  340    HB   VAL  43           HB       VAL  43  -8.969   1.146  22.407
  341   1HG1  VAL  43          2HG1      VAL  43  -9.476  -0.997  20.593
  342   2HG1  VAL  43          1HG1      VAL  43 -10.917   0.019  20.635
  343   3HG1  VAL  43          3HG1      VAL  43  -9.353   0.726  20.230
  344   1HG2  VAL  43          3HG2      VAL  43 -10.797   0.519  24.085
  345   2HG2  VAL  43          2HG2      VAL  43 -11.305   1.525  22.728
  346   3HG2  VAL  43          1HG2      VAL  43 -11.656  -0.203  22.726
  347    H    VAL  44           HN       VAL  44 -10.342  -2.160  24.692
  348    HA   VAL  44           HA       VAL  44 -11.706  -3.918  22.745
  349    HB   VAL  44           HB       VAL  44  -9.736  -4.861  24.850
  350   1HG1  VAL  44          2HG1      VAL  44 -11.812  -6.376  23.250
  351   2HG1  VAL  44          1HG1      VAL  44 -10.404  -7.163  23.966
  352   3HG1  VAL  44          3HG1      VAL  44 -11.591  -6.366  25.000
  353   1HG2  VAL  44          3HG2      VAL  44  -9.855  -4.839  21.848
  354   2HG2  VAL  44          2HG2      VAL  44  -8.509  -4.424  22.911
  355   3HG2  VAL  44          1HG2      VAL  44  -8.956  -6.113  22.670
  356    HA   PRO  45           HA       PRO  45 -14.228  -2.569  26.414
  357   1HB   PRO  45          2HB       PRO  45 -16.448  -2.622  24.579
  358   2HB   PRO  45          1HB       PRO  45 -15.698  -1.216  25.338
  359   1HG   PRO  45          2HG       PRO  45 -15.535  -2.043  22.590
  360   2HG   PRO  45          1HG       PRO  45 -14.790  -0.632  23.346
  361   1HD   PRO  45          2HD       PRO  45 -13.489  -3.035  22.421
  362   2HD   PRO  45          1HD       PRO  45 -12.741  -1.620  23.196
  363    H    ILE  46           HN       ILE  46 -17.003  -3.695  25.792
  364    HA   ILE  46           HA       ILE  46 -16.789  -6.230  27.041
  365    HB   ILE  46           HB       ILE  46 -18.845  -5.158  25.071
  366   1HG1  ILE  46          2HG1      ILE  46 -18.813  -5.066  28.102
  367   2HG1  ILE  46          1HG1      ILE  46 -18.367  -3.710  27.066
  368   1HG2  ILE  46          3HG2      ILE  46 -18.927  -7.412  27.095
  369   2HG2  ILE  46          2HG2      ILE  46 -20.376  -6.705  26.378
  370   3HG2  ILE  46          1HG2      ILE  46 -19.195  -7.523  25.354
  371   1HD1  ILE  46          1HD1      ILE  46 -20.685  -4.099  25.947
  372   2HD1  ILE  46          3HD1      ILE  46 -21.063  -5.014  27.406
  373   3HD1  ILE  46          2HD1      ILE  46 -20.640  -3.305  27.520
  374    H    LEU  47           HN       LEU  47 -16.748  -5.285  23.645
  375    HA   LEU  47           HA       LEU  47 -15.692  -7.990  22.937
  376   1HB   LEU  47          2HB       LEU  47 -17.780  -6.350  21.455
  377   2HB   LEU  47          1HB       LEU  47 -17.145  -7.909  20.932
  378    HG   LEU  47           HG       LEU  47 -18.694  -7.370  23.485
  379   1HD1  LEU  47          1HD1      LEU  47 -19.753  -7.586  21.031
  380   2HD1  LEU  47          3HD1      LEU  47 -19.563  -9.303  21.385
  381   3HD1  LEU  47          2HD1      LEU  47 -20.537  -8.287  22.447
  382   1HD2  LEU  47          1HD2      LEU  47 -16.848  -9.468  22.769
  383   2HD2  LEU  47          3HD2      LEU  47 -17.745  -9.253  24.272
  384   3HD2  LEU  47          2HD2      LEU  47 -18.471 -10.137  22.930
  385    H    CYS  48           HN       CYS  48 -16.500  -5.148  20.951
  386    HA   CYS  48           HA       CYS  48 -13.592  -4.565  20.613
  387   1HB   CYS  48          2HB       CYS  48 -15.657  -5.268  18.514
  388   2HB   CYS  48          1HB       CYS  48 -14.159  -4.431  18.108
  389    H    SER  49           HN       SER  49 -13.205  -2.354  20.357
  390    HA   SER  49           HA       SER  49 -15.171  -0.446  21.100
  391   1HB   SER  49          2HB       SER  49 -12.665  -0.257  21.187
  392   2HB   SER  49          1HB       SER  49 -12.670  -0.034  19.437
  393    HG   SER  49           HG       SER  49 -12.977   1.980  19.901
  394    H    ASN  50           HN       ASN  50 -13.886  -1.220  17.858
  395    HA   ASN  50           HA       ASN  50 -15.768   0.578  16.525
  396   1HB   ASN  50          2HB       ASN  50 -13.511  -1.231  15.879
  397   2HB   ASN  50          1HB       ASN  50 -14.695  -1.011  14.590
  398   1HD2  ASN  50          1HD2      ASN  50 -15.455   1.677  15.003
  399   2HD2  ASN  50          2HD2      ASN  50 -14.111   2.686  14.761
  400    HA   PRO  51           HA       PRO  51 -19.025  -2.528  16.777
  401   1HB   PRO  51          2HB       PRO  51 -20.582  -0.812  15.071
  402   2HB   PRO  51          1HB       PRO  51 -20.760  -1.072  16.808
  403   1HG   PRO  51          2HG       PRO  51 -19.745   1.257  15.462
  404   2HG   PRO  51          1HG       PRO  51 -19.938   1.003  17.198
  405   1HD   PRO  51          2HD       PRO  51 -17.482   1.098  15.693
  406   2HD   PRO  51          1HD       PRO  51 -17.679   0.812  17.438
  407    H    ASN  52           HN       ASN  52 -17.254  -1.355  14.101
  408    HA   ASN  52           HA       ASN  52 -18.225  -3.639  12.436
  409   1HB   ASN  52          2HB       ASN  52 -17.848  -0.746  11.610
  410   2HB   ASN  52          1HB       ASN  52 -18.194  -2.062  10.489
  411   1HD2  ASN  52          1HD2      ASN  52 -20.134  -3.526  11.868
  412   2HD2  ASN  52          2HD2      ASN  52 -21.506  -2.563  12.140
  413    H    PHE  53           HN       PHE  53 -15.816  -3.336  14.057
  414    HA   PHE  53           HA       PHE  53 -13.558  -2.629  12.366
  415   1HB   PHE  53          2HB       PHE  53 -12.318  -3.214  14.277
  416   2HB   PHE  53          1HB       PHE  53 -13.885  -2.823  14.986
  417    HD1  PHE  53           HD1      PHE  53 -15.615  -4.897  14.945
  418    HD2  PHE  53           HD2      PHE  53 -11.330  -5.228  14.952
  419    HE1  PHE  53           HE1      PHE  53 -15.794  -7.197  15.850
  420    HE2  PHE  53           HE2      PHE  53 -11.511  -7.537  15.858
  421    HZ   PHE  53           HZ       PHE  53 -13.744  -8.514  16.306
  422    HA   PRO  54           HA       PRO  54 -12.622  -6.408  10.289
  423   1HB   PRO  54          2HB       PRO  54 -10.431  -7.358  11.910
  424   2HB   PRO  54          1HB       PRO  54 -10.353  -6.565  10.340
  425   1HG   PRO  54          2HG       PRO  54  -9.640  -5.493  12.906
  426   2HG   PRO  54          1HG       PRO  54  -9.570  -4.683  11.339
  427   1HD   PRO  54          2HD       PRO  54 -11.407  -4.194  13.496
  428   2HD   PRO  54          1HD       PRO  54 -11.366  -3.395  11.909
  429    H    GLU  55           HN       GLU  55 -14.722  -7.072  11.446
  430    HA   GLU  55           HA       GLU  55 -15.046  -8.507  13.771
  431   1HB   GLU  55          2HB       GLU  55 -16.763  -7.922  12.068
  432   2HB   GLU  55          1HB       GLU  55 -16.157  -9.225  11.040
  433   1HG   GLU  55          2HG       GLU  55 -16.652 -10.855  12.847
  434   2HG   GLU  55          1HG       GLU  55 -17.305  -9.545  13.832
  435    H    GLU  56           HN       GLU  56 -13.580  -9.729  10.761
  436    HA   GLU  56           HA       GLU  56 -13.403 -12.480  11.365
  437   1HB   GLU  56          2HB       GLU  56 -12.713 -11.268   9.261
  438   2HB   GLU  56          1HB       GLU  56 -11.274 -10.709  10.114
  439   1HG   GLU  56          2HG       GLU  56 -10.655 -13.088  10.547
  440   2HG   GLU  56          1HG       GLU  56 -12.045 -13.595   9.589
  441    H    LEU  57           HN       LEU  57 -11.921  -9.770  12.873
  442    HA   LEU  57           HA       LEU  57  -9.822 -11.371  14.229
  443   1HB   LEU  57          2HB       LEU  57 -10.596  -8.450  14.060
  444   2HB   LEU  57          1HB       LEU  57  -9.336  -9.021  15.157
  445    HG   LEU  57           HG       LEU  57  -8.181 -10.068  13.220
  446   1HD1  LEU  57          2HD1      LEU  57 -10.599  -9.009  11.833
  447   2HD1  LEU  57          1HD1      LEU  57  -9.070  -8.958  10.958
  448   3HD1  LEU  57          3HD1      LEU  57  -9.703 -10.496  11.543
  449   1HD2  LEU  57          1HD2      LEU  57  -8.594  -7.196  13.646
  450   2HD2  LEU  57          3HD2      LEU  57  -7.090  -8.087  13.418
  451   3HD2  LEU  57          2HD2      LEU  57  -8.033  -7.574  12.018
  452    H    LYS  58           HN       LYS  58 -12.953 -11.268  14.623
  453    HA   LYS  58           HA       LYS  58 -13.828 -10.311  17.035
  454   1HB   LYS  58          2HB       LYS  58 -14.341 -12.586  15.299
  455   2HB   LYS  58          1HB       LYS  58 -14.673 -12.989  16.984
  456   1HG   LYS  58          2HG       LYS  58 -16.201 -11.153  17.208
  457   2HG   LYS  58          1HG       LYS  58 -15.700 -10.465  15.664
  458   1HD   LYS  58          2HD       LYS  58 -17.085 -11.825  14.496
  459   2HD   LYS  58          1HD       LYS  58 -16.612 -13.241  15.434
  460   1HE   LYS  58          2HE       LYS  58 -18.682 -13.117  16.378
  461   2HE   LYS  58          1HE       LYS  58 -18.081 -11.690  17.245
  462   1HZ   LYS  58          3HZ       LYS  58 -18.964 -11.452  14.442
  463   2HZ   LYS  58          2HZ       LYS  58 -20.126 -11.460  15.682
  464   3HZ   LYS  58          1HZ       LYS  58 -18.919 -10.264  15.652
  465    HA   PRO  59           HA       PRO  59 -11.802 -14.123  19.334
  466   1HB   PRO  59          2HB       PRO  59  -9.453 -14.734  17.778
  467   2HB   PRO  59          1HB       PRO  59 -10.811 -15.795  18.164
  468   1HG   PRO  59          2HG       PRO  59 -10.181 -14.524  15.640
  469   2HG   PRO  59          1HG       PRO  59 -11.467 -15.680  15.994
  470   1HD   PRO  59          2HD       PRO  59 -11.769 -12.906  15.434
  471   2HD   PRO  59          1HD       PRO  59 -13.038 -14.019  15.991
  472    H    LEU  60           HN       LEU  60  -9.613 -12.077  17.334
  473    HA   LEU  60           HA       LEU  60  -7.580 -11.569  19.172
  474   1HB   LEU  60          2HB       LEU  60  -8.244 -10.701  16.720
  475   2HB   LEU  60          1HB       LEU  60  -8.753  -9.286  17.639
  476    HG   LEU  60           HG       LEU  60  -6.303  -9.857  18.760
  477   1HD1  LEU  60          1HD1      LEU  60  -6.412 -11.258  16.291
  478   2HD1  LEU  60          3HD1      LEU  60  -5.362  -9.865  16.041
  479   3HD1  LEU  60          2HD1      LEU  60  -5.006 -11.017  17.328
  480   1HD2  LEU  60          1HD2      LEU  60  -7.475  -7.722  17.637
  481   2HD2  LEU  60          3HD2      LEU  60  -5.742  -7.768  17.961
  482   3HD2  LEU  60          2HD2      LEU  60  -6.345  -8.112  16.340
  483    H    CYS  61           HN       CYS  61 -10.711  -9.867  18.878
  484    HA   CYS  61           HA       CYS  61 -10.283  -8.110  21.121
  485   1HB   CYS  61          2HB       CYS  61 -12.744  -9.141  19.676
  486   2HB   CYS  61          1HB       CYS  61 -12.783  -7.841  20.868
  487    H    LYS  62           HN       LYS  62 -11.464 -11.409  20.816
  488    HA   LYS  62           HA       LYS  62 -12.553 -11.475  23.553
  489   1HB   LYS  62          2HB       LYS  62 -12.096 -13.581  21.414
  490   2HB   LYS  62          1HB       LYS  62 -12.997 -13.845  22.908
  491   1HG   LYS  62          2HG       LYS  62 -14.599 -12.092  22.269
  492   2HG   LYS  62          1HG       LYS  62 -13.683 -11.777  20.795
  493   1HD   LYS  62          2HD       LYS  62 -15.546 -13.224  20.232
  494   2HD   LYS  62          1HD       LYS  62 -14.063 -14.174  20.130
  495   1HE   LYS  62          2HE       LYS  62 -14.824 -15.598  21.723
  496   2HE   LYS  62          1HE       LYS  62 -15.132 -14.249  22.833
  497   1HZ   LYS  62          2HZ       LYS  62 -17.124 -13.759  21.377
  498   2HZ   LYS  62          1HZ       LYS  62 -16.890 -15.290  20.678
  499   3HZ   LYS  62          3HZ       LYS  62 -17.240 -15.158  22.333
  500    H    GLU  63           HN       GLU  63  -9.466 -11.410  22.441
  501    HA   GLU  63           HA       GLU  63  -8.515 -13.326  24.548
  502   1HB   GLU  63          2HB       GLU  63  -6.577 -13.698  23.075
  503   2HB   GLU  63          1HB       GLU  63  -8.076 -14.027  22.208
  504   1HG   GLU  63          2HG       GLU  63  -7.929 -12.060  20.947
  505   2HG   GLU  63          1HG       GLU  63  -6.857 -11.279  22.110
  506    HA   PRO  64           HA       PRO  64  -6.663  -9.885  26.560
  507   1HB   PRO  64          2HB       PRO  64  -4.400 -11.454  27.388
  508   2HB   PRO  64          1HB       PRO  64  -5.821 -11.008  28.335
  509   1HG   PRO  64          2HG       PRO  64  -5.140 -13.594  27.289
  510   2HG   PRO  64          1HG       PRO  64  -6.568 -13.145  28.225
  511   1HD   PRO  64          2HD       PRO  64  -6.419 -13.797  25.413
  512   2HD   PRO  64          1HD       PRO  64  -7.861 -13.365  26.361
  513    H    ASN  65           HN       ASN  65  -5.013 -11.728  24.115
  514    HA   ASN  65           HA       ASN  65  -2.629 -10.041  23.999
  515   1HB   ASN  65          2HB       ASN  65  -3.828 -12.026  22.041
  516   2HB   ASN  65          1HB       ASN  65  -2.170 -11.425  22.013
  517   1HD2  ASN  65          1HD2      ASN  65  -1.522 -11.520  24.763
  518   2HD2  ASN  65          2HD2      ASN  65  -1.562 -13.132  25.293
  519    H    ALA  66           HN       ALA  66  -5.855  -9.713  22.879
  520    HA   ALA  66           HA       ALA  66  -5.670  -8.450  20.391
  521   1HB   ALA  66          1HB       ALA  66  -7.543  -8.833  22.414
  522   2HB   ALA  66          2HB       ALA  66  -7.851  -8.035  20.872
  523   3HB   ALA  66          3HB       ALA  66  -7.427  -7.078  22.292
  524    H    GLN  67           HN       GLN  67  -5.059  -7.069  23.615
  525    HA   GLN  67           HA       GLN  67  -4.730  -4.348  22.918
  526   1HB   GLN  67          2HB       GLN  67  -4.819  -5.407  25.197
  527   2HB   GLN  67          1HB       GLN  67  -3.170  -5.980  24.946
  528   1HG   GLN  67          2HG       GLN  67  -2.479  -3.588  24.561
  529   2HG   GLN  67          1HG       GLN  67  -4.106  -3.098  25.031
  530   1HE2  GLN  67          1HE2      GLN  67  -0.996  -4.012  26.242
  531   2HE2  GLN  67          2HE2      GLN  67  -1.410  -4.060  27.887
  532    H    GLU  68           HN       GLU  68  -2.297  -6.979  22.937
  533    HA   GLU  68           HA       GLU  68  -0.180  -5.221  21.941
  534   1HB   GLU  68          2HB       GLU  68  -0.467  -8.218  22.313
  535   2HB   GLU  68          1HB       GLU  68   1.040  -7.423  21.858
  536   1HG   GLU  68          2HG       GLU  68   0.919  -6.054  23.928
  537   2HG   GLU  68          1HG       GLU  68  -0.551  -6.914  24.390
  538    H    ILE  69           HN       ILE  69  -2.396  -7.628  20.566
  539    HA   ILE  69           HA       ILE  69  -1.154  -7.769  17.963
  540    HB   ILE  69           HB       ILE  69  -4.005  -8.262  18.890
  541   1HG1  ILE  69          2HG1      ILE  69  -1.710 -10.214  18.542
  542   2HG1  ILE  69          1HG1      ILE  69  -2.204  -9.542  20.096
  543   1HG2  ILE  69          1HG2      ILE  69  -2.602  -8.583  16.309
  544   2HG2  ILE  69          3HG2      ILE  69  -3.512  -9.999  16.837
  545   3HG2  ILE  69          2HG2      ILE  69  -4.328  -8.448  16.642
  546   1HD1  ILE  69          2HD1      ILE  69  -4.602 -10.416  19.091
  547   2HD1  ILE  69          1HD1      ILE  69  -3.492 -11.627  18.450
  548   3HD1  ILE  69          3HD1      ILE  69  -3.587 -11.349  20.189
  549    H    LEU  70           HN       LEU  70  -3.988  -5.949  19.182
  550    HA   LEU  70           HA       LEU  70  -4.849  -4.634  16.905
  551   1HB   LEU  70          2HB       LEU  70  -5.837  -4.402  19.135
  552   2HB   LEU  70          1HB       LEU  70  -4.410  -3.535  19.701
  553    HG   LEU  70           HG       LEU  70  -6.563  -2.213  18.882
  554   1HD1  LEU  70          1HD1      LEU  70  -4.151  -1.437  19.544
  555   2HD1  LEU  70          3HD1      LEU  70  -3.927  -1.243  17.805
  556   3HD1  LEU  70          2HD1      LEU  70  -5.186  -0.333  18.639
  557   1HD2  LEU  70          3HD2      LEU  70  -6.409  -3.456  16.637
  558   2HD2  LEU  70          2HD2      LEU  70  -6.595  -1.705  16.558
  559   3HD2  LEU  70          1HD2      LEU  70  -5.011  -2.436  16.297
  560    H    GLN  71           HN       GLN  71  -2.446  -3.154  19.130
  561    HA   GLN  71           HA       GLN  71  -1.630  -1.015  17.538
  562   1HB   GLN  71          2HB       GLN  71  -0.964  -1.608  19.893
  563   2HB   GLN  71          1HB       GLN  71   0.144  -2.805  19.224
  564   1HG   GLN  71          2HG       GLN  71   1.256  -0.976  17.923
  565   2HG   GLN  71          1HG       GLN  71   0.211   0.189  18.739
  566   1HE2  GLN  71          1HE2      GLN  71   1.276   1.148  20.471
  567   2HE2  GLN  71          2HE2      GLN  71   2.400   0.374  21.481
  568    H    ARG  72           HN       ARG  72  -0.113  -4.267  17.590
  569    HA   ARG  72           HA       ARG  72   1.794  -3.910  15.563
  570   1HB   ARG  72          2HB       ARG  72   0.043  -6.288  16.271
  571   2HB   ARG  72          1HB       ARG  72   1.481  -6.394  15.256
  572   1HG   ARG  72          2HG       ARG  72   2.848  -5.487  17.110
  573   2HG   ARG  72          1HG       ARG  72   1.407  -5.403  18.124
  574   1HD   ARG  72          2HD       ARG  72   2.534  -7.472  18.684
  575   2HD   ARG  72          1HD       ARG  72   1.129  -7.919  17.697
  576    HE   ARG  72           HE       ARG  72   3.440  -7.363  16.039
  577   1HH1  ARG  72          1HH1      ARG  72   1.256  -9.672  16.222
  578   2HH1  ARG  72          2HH1      ARG  72   2.321 -11.036  16.298
  579   1HH2  ARG  72          1HH2      ARG  72   5.145  -9.134  16.952
  580   2HH2  ARG  72          2HH2      ARG  72   4.521 -10.732  16.710
  581    H    LEU  73           HN       LEU  73  -1.493  -5.286  15.094
  582    HA   LEU  73           HA       LEU  73  -1.569  -5.457  12.321
  583   1HB   LEU  73          2HB       LEU  73  -3.703  -4.478  14.250
  584   2HB   LEU  73          1HB       LEU  73  -4.020  -5.077  12.621
  585    HG   LEU  73           HG       LEU  73  -2.808  -6.626  14.929
  586   1HD1  LEU  73          3HD1      LEU  73  -5.475  -6.409  13.686
  587   2HD1  LEU  73          2HD1      LEU  73  -4.910  -8.064  13.914
  588   3HD1  LEU  73          1HD1      LEU  73  -5.026  -6.975  15.295
  589   1HD2  LEU  73          3HD2      LEU  73  -3.135  -7.327  12.000
  590   2HD2  LEU  73          2HD2      LEU  73  -1.637  -7.291  12.931
  591   3HD2  LEU  73          1HD2      LEU  73  -2.849  -8.531  13.257
  592    H    GLU  74           HN       GLU  74  -2.367  -2.564  14.276
  593    HA   GLU  74           HA       GLU  74  -2.970  -0.774  12.184
  594   1HB   GLU  74          2HB       GLU  74  -1.522  -0.319  14.815
  595   2HB   GLU  74          1HB       GLU  74  -2.315   0.938  13.865
  596   1HG   GLU  74          2HG       GLU  74  -4.469  -0.266  14.091
  597   2HG   GLU  74          1HG       GLU  74  -3.669  -1.496  15.069
  598    H    GLU  75           HN       GLU  75   0.229  -1.649  13.553
  599    HA   GLU  75           HA       GLU  75   1.790   0.231  12.086
  600   1HB   GLU  75          2HB       GLU  75   2.352  -2.560  13.138
  601   2HB   GLU  75          1HB       GLU  75   3.603  -1.450  12.580
  602   1HG   GLU  75          2HG       GLU  75   2.823   0.216  14.269
  603   2HG   GLU  75          1HG       GLU  75   1.666  -0.973  14.865
  604    H    ILE  76           HN       ILE  76   1.173  -3.232  11.361
  605    HA   ILE  76           HA       ILE  76   2.423  -3.215   8.786
  606    HB   ILE  76           HB       ILE  76   0.180  -4.905   9.943
  607   1HG1  ILE  76          2HG1      ILE  76   3.196  -5.232   9.938
  608   2HG1  ILE  76          1HG1      ILE  76   2.180  -4.925  11.345
  609   1HG2  ILE  76          3HG2      ILE  76   1.901  -5.141   7.487
  610   2HG2  ILE  76          2HG2      ILE  76   1.334  -6.599   8.303
  611   3HG2  ILE  76          1HG2      ILE  76   0.171  -5.438   7.664
  612   1HD1  ILE  76          3HD1      ILE  76   0.934  -7.114  10.425
  613   2HD1  ILE  76          2HD1      ILE  76   2.542  -7.436   9.776
  614   3HD1  ILE  76          1HD1      ILE  76   2.319  -7.219  11.511
  615    H    ALA  77           HN       ALA  77  -0.963  -2.724   9.784
  616    HA   ALA  77           HA       ALA  77  -2.220  -2.561   7.272
  617   1HB   ALA  77          3HB       ALA  77  -3.264  -2.459   9.552
  618   2HB   ALA  77          2HB       ALA  77  -2.673  -0.805   9.709
  619   3HB   ALA  77          1HB       ALA  77  -3.864  -1.202   8.472
  620    H    GLU  78           HN       GLU  78  -0.302  -0.129   9.000
  621    HA   GLU  78           HA       GLU  78  -0.798   2.075   7.228
  622   1HB   GLU  78          2HB       GLU  78   0.147   2.138   9.549
  623   2HB   GLU  78          1HB       GLU  78   1.636   1.430   8.924
  624   1HG   GLU  78          2HG       GLU  78   1.850   3.365   7.359
  625   2HG   GLU  78          1HG       GLU  78   0.422   4.085   8.100
  626    H    ASP  79           HN       ASP  79   1.783  -0.409   7.292
  627    HA   ASP  79           HA       ASP  79   2.317   0.196   4.419
  628   1HB   ASP  79          2HB       ASP  79   3.936   0.899   6.699
  629   2HB   ASP  79          1HB       ASP  79   4.807  -0.266   5.701
  630    HA   PRO  80           HA       PRO  80   2.507  -4.173   3.976
  631   1HB   PRO  80          2HB       PRO  80   4.705  -4.048   2.127
  632   2HB   PRO  80          1HB       PRO  80   2.987  -4.228   1.764
  633   1HG   PRO  80          2HG       PRO  80   4.647  -1.928   1.328
  634   2HG   PRO  80          1HG       PRO  80   2.928  -2.107   0.974
  635   1HD   PRO  80          2HD       PRO  80   4.157  -0.543   3.070
  636   2HD   PRO  80          1HD       PRO  80   2.425  -0.708   2.701
  637    H    GLY  81           HN       GLY  81   5.906  -3.089   3.562
  638   1HA   GLY  81          1HA       GLY  81   6.664  -4.383   6.091
  639   2HA   GLY  81          2HA       GLY  81   7.748  -3.511   5.005
  640    H    THR  82           HN       THR  82   7.755  -6.349   6.228
  641    HA   THR  82           HA       THR  82   8.828  -7.672   3.842
  642    HB   THR  82           HB       THR  82   9.481  -9.363   5.483
  643    HG1  THR  82          1HG       THR  82   7.473  -8.085   6.946
  644   1HG2  THR  82          2HG2      THR  82  10.557  -7.003   5.416
  645   2HG2  THR  82          1HG2      THR  82   9.704  -6.735   6.936
  646   3HG2  THR  82          3HG2      THR  82  10.895  -8.028   6.811
  647    H    CYS  83           HN       CYS  83   5.839  -7.651   5.620
  648    HA   CYS  83           HA       CYS  83   4.790 -10.220   5.050
  649   1HB   CYS  83          2HB       CYS  83   3.886  -8.291   6.486
  650   2HB   CYS  83          1HB       CYS  83   3.228  -7.630   4.989
  651    H    GLU  84           HN       GLU  84   4.468  -7.218   3.117
  652    HA   GLU  84           HA       GLU  84   3.030  -8.386   0.946
  653   1HB   GLU  84          2HB       GLU  84   3.269  -5.971   1.478
  654   2HB   GLU  84          1HB       GLU  84   4.964  -6.050   0.998
  655   1HG   GLU  84          2HG       GLU  84   4.202  -6.865  -1.264
  656   2HG   GLU  84          1HG       GLU  84   2.543  -6.546  -0.759
  657    H    ILE  85           HN       ILE  85   6.496  -8.360   1.682
  658    HA   ILE  85           HA       ILE  85   7.078  -9.459  -1.030
  659    HB   ILE  85           HB       ILE  85   9.340  -8.816  -0.540
  660   1HG1  ILE  85          2HG1      ILE  85   8.359  -8.606   2.317
  661   2HG1  ILE  85          1HG1      ILE  85   9.591  -9.698   1.687
  662   1HG2  ILE  85          3HG2      ILE  85   7.379  -6.818   0.625
  663   2HG2  ILE  85          2HG2      ILE  85   9.050  -6.437   0.213
  664   3HG2  ILE  85          1HG2      ILE  85   7.918  -6.915  -1.052
  665   1HD1  ILE  85          1HD1      ILE  85  10.654  -7.336   0.919
  666   2HD1  ILE  85          3HD1      ILE  85   9.781  -6.807   2.357
  667   3HD1  ILE  85          2HD1      ILE  85  11.003  -8.074   2.482
  668    H    CYS  86           HN       CYS  86   5.963 -10.792   1.657
  669    HA   CYS  86           HA       CYS  86   6.136 -12.944   2.620
  670   1HB   CYS  86          2HB       CYS  86   6.273 -13.199  -0.025
  671   2HB   CYS  86          1HB       CYS  86   7.919 -13.717   0.339
  672    H    ALA  87           HN       ALA  87   8.519 -10.815   2.683
  673    HA   ALA  87           HA       ALA  87  10.937 -12.303   3.087
  674   1HB   ALA  87          3HB       ALA  87  11.226 -10.082   4.618
  675   2HB   ALA  87          1HB       ALA  87   9.832  -9.602   3.650
  676   3HB   ALA  87          2HB       ALA  87  11.342 -10.053   2.858
  677    H    TYR  88           HN       TYR  88   8.118 -11.822   5.064
  678    HA   TYR  88           HA       TYR  88   9.457 -13.324   7.285
  679   1HB   TYR  88          2HB       TYR  88   8.991 -10.673   7.383
  680   2HB   TYR  88          1HB       TYR  88   7.405 -11.245   7.901
  681    HD1  TYR  88           HD1      TYR  88   7.153 -12.585   9.954
  682    HD2  TYR  88           HD2      TYR  88  10.970 -11.027   8.748
  683    HE1  TYR  88           HE1      TYR  88   8.055 -13.039  12.220
  684    HE2  TYR  88           HE2      TYR  88  11.872 -11.481  11.014
  685    HH   TYR  88           HH       TYR  88  11.329 -12.030  13.131
  686    H    ALA  89           HN       ALA  89   7.719 -14.264   8.795
  687    HA   ALA  89           HA       ALA  89   5.749 -15.715   7.224
  688   1HB   ALA  89          1HB       ALA  89   7.071 -16.469   9.274
  689   2HB   ALA  89          3HB       ALA  89   5.983 -15.468  10.235
  690   3HB   ALA  89          2HB       ALA  89   5.345 -16.831   9.316
  691    H    ALA  90           HN       ALA  90   5.728 -12.584   8.298
  692    HA   ALA  90           HA       ALA  90   3.222 -12.200   9.569
  693   1HB   ALA  90          2HB       ALA  90   4.480 -10.359   7.528
  694   2HB   ALA  90          1HB       ALA  90   3.572  -9.916   8.973
  695   3HB   ALA  90          3HB       ALA  90   5.188 -10.606   9.124
  696    H    CYS  91           HN       CYS  91   4.024 -12.397   6.094
  697    HA   CYS  91           HA       CYS  91   1.115 -12.188   5.447
  698   1HB   CYS  91          2HB       CYS  91   3.654 -11.406   4.248
  699   2HB   CYS  91          1HB       CYS  91   2.617 -12.250   3.101
  700    H    THR  92           HN       THR  92   0.064 -14.092   5.078
  701    HA   THR  92           HA       THR  92   1.661 -16.518   4.396
  702    HB   THR  92           HB       THR  92  -0.250 -17.703   5.273
  703    HG1  THR  92          1HG       THR  92  -1.487 -15.214   4.868
  704   1HG2  THR  92          3HG2      THR  92   1.262 -16.433   6.880
  705   2HG2  THR  92          2HG2      THR  92  -0.002 -15.206   6.958
  706   3HG2  THR  92          1HG2      THR  92  -0.335 -16.849   7.505
  707    H    GLY  93           HN       GLY  93   0.484 -18.049   2.827
  708   1HA   GLY  93          1HA       GLY  93  -1.241 -16.709   0.844
  709   2HA   GLY  93          2HA       GLY  93  -0.811 -18.421   0.853
  710    H    CYS  94           HN       CYS  94   2.040 -16.940   1.380
  711    HA   CYS  94           HA       CYS  94   2.709 -15.894  -1.242
  712   1HB   CYS  94          2HB       CYS  94   3.790 -15.352   0.968
  713   2HB   CYS  94          1HB       CYS  94   4.493 -16.969   0.964

  No H/Q in entry =         713
  Start of MODEL   15
    1    H1   VAL   1          1H        VAL   1  -2.895 -12.098  -0.487
    2    H2   VAL   1          3H        VAL   1  -1.994 -10.831  -1.163
    3    H3   VAL   1          2H        VAL   1  -1.531 -12.443  -1.439
    4    HA   VAL   1           HA       VAL   1  -0.661 -12.721   0.665
    5    HB   VAL   1           HB       VAL   1  -0.377  -9.760   0.059
    6   1HG1  VAL   1          1HG1      VAL   1   0.761 -11.442   2.039
    7   2HG1  VAL   1          3HG1      VAL   1   2.025 -11.143   0.845
    8   3HG1  VAL   1          2HG1      VAL   1   1.226  -9.787   1.640
    9   1HG2  VAL   1          3HG2      VAL   1   0.391 -12.151  -1.454
   10   2HG2  VAL   1          2HG2      VAL   1   0.359 -10.463  -1.964
   11   3HG2  VAL   1          1HG2      VAL   1   1.758 -11.096  -1.098
   12    H    THR   2           HN       THR   2  -1.596 -12.959   2.660
   13    HA   THR   2           HA       THR   2  -3.127 -10.633   3.782
   14    HB   THR   2           HB       THR   2  -3.656 -13.611   4.053
   15    HG1  THR   2          1HG       THR   2  -4.684 -13.326   2.265
   16   1HG2  THR   2          2HG2      THR   2  -4.909 -11.148   5.233
   17   2HG2  THR   2          1HG2      THR   2  -5.907 -12.567   4.916
   18   3HG2  THR   2          3HG2      THR   2  -4.529 -12.684   6.011
   19    H    VAL   3           HN       VAL   3  -2.953 -10.377   6.085
   20    HA   VAL   3           HA       VAL   3  -0.432 -11.451   7.211
   21    HB   VAL   3           HB       VAL   3  -1.771  -9.016   7.261
   22   1HG1  VAL   3          1HG1      VAL   3  -2.064 -10.402   9.942
   23   2HG1  VAL   3          3HG1      VAL   3  -2.233  -8.664   9.701
   24   3HG1  VAL   3          2HG1      VAL   3  -3.365  -9.775   8.933
   25   1HG2  VAL   3          2HG2      VAL   3   0.492 -10.226   8.826
   26   2HG2  VAL   3          1HG2      VAL   3   0.547  -9.005   7.554
   27   3HG2  VAL   3          3HG2      VAL   3  -0.024  -8.575   9.167
   28    H    GLN   4           HN       GLN   4  -0.541 -13.338   8.350
   29    HA   GLN   4           HA       GLN   4  -3.109 -14.027   9.730
   30   1HB   GLN   4          2HB       GLN   4  -0.803 -15.855   9.035
   31   2HB   GLN   4          1HB       GLN   4  -2.480 -16.298   9.350
   32   1HG   GLN   4          2HG       GLN   4  -3.065 -14.856   7.298
   33   2HG   GLN   4          1HG       GLN   4  -1.343 -14.892   6.929
   34   1HE2  GLN   4          1HE2      GLN   4  -3.638 -16.206   5.455
   35   2HE2  GLN   4          2HE2      GLN   4  -3.243 -17.856   5.404
   36    H    ASP   5           HN       ASP   5  -3.075 -14.429  11.947
   37    HA   ASP   5           HA       ASP   5  -0.464 -14.002  13.347
   38   1HB   ASP   5          2HB       ASP   5  -3.370 -13.652  14.153
   39   2HB   ASP   5          1HB       ASP   5  -2.013 -13.413  15.253
   40    H    GLY   6           HN       GLY   6  -2.155 -16.515  12.247
   41   1HA   GLY   6          1HA       GLY   6  -2.702 -18.164  14.518
   42   2HA   GLY   6          2HA       GLY   6  -1.043 -18.455  13.989
   43    H    ASN   7           HN       ASN   7  -3.778 -19.975  13.776
   44    HA   ASN   7           HA       ASN   7  -3.202 -21.153  11.155
   45   1HB   ASN   7          2HB       ASN   7  -5.367 -21.589  13.235
   46   2HB   ASN   7          1HB       ASN   7  -5.103 -22.632  11.841
   47   1HD2  ASN   7          1HD2      ASN   7  -2.256 -22.657  11.827
   48   2HD2  ASN   7          2HD2      ASN   7  -1.708 -23.445  13.226
   49    H    PHE   8           HN       PHE   8  -4.684 -18.358  11.965
   50    HA   PHE   8           HA       PHE   8  -6.764 -18.585   9.816
   51   1HB   PHE   8          2HB       PHE   8  -7.686 -18.277  12.051
   52   2HB   PHE   8          1HB       PHE   8  -6.594 -16.926  12.352
   53    HD1  PHE   8           HD1      PHE   8  -6.849 -14.803  11.081
   54    HD2  PHE   8           HD2      PHE   8  -9.696 -18.003  10.768
   55    HE1  PHE   8           HE1      PHE   8  -8.503 -13.240  10.085
   56    HE2  PHE   8           HE2      PHE   8 -11.347 -16.442   9.774
   57    HZ   PHE   8           HZ       PHE   8 -10.750 -14.059   9.433
   58    H    SER   9           HN       SER   9  -7.055 -16.531   8.551
   59    HA   SER   9           HA       SER   9  -4.485 -14.990   8.379
   60   1HB   SER   9          2HB       SER   9  -4.952 -14.851   6.006
   61   2HB   SER   9          1HB       SER   9  -5.160 -16.532   6.499
   62    HG   SER   9           HG       SER   9  -7.251 -14.627   6.310
   63    H    PHE  10           HN       PHE  10  -4.609 -12.790   8.644
   64    HA   PHE  10           HA       PHE  10  -7.337 -11.558   8.824
   65   1HB   PHE  10          2HB       PHE  10  -4.659 -10.922  10.099
   66   2HB   PHE  10          1HB       PHE  10  -6.086  -9.902  10.276
   67    HD1  PHE  10           HD1      PHE  10  -8.271 -11.137  11.060
   68    HD2  PHE  10           HD2      PHE  10  -4.296 -12.647  11.641
   69    HE1  PHE  10           HE1      PHE  10  -9.092 -12.578  12.905
   70    HE2  PHE  10           HE2      PHE  10  -5.113 -14.091  13.484
   71    HZ   PHE  10           HZ       PHE  10  -7.512 -14.056  14.117
   72    H    SER  11           HN       SER  11  -7.811 -10.188   7.132
   73    HA   SER  11           HA       SER  11  -5.842  -9.353   5.188
   74   1HB   SER  11          2HB       SER  11  -7.734  -8.258   4.187
   75   2HB   SER  11          1HB       SER  11  -8.358  -9.729   4.932
   76    HG   SER  11           HG       SER  11  -9.678  -8.097   5.584
   77    H    LEU  12           HN       LEU  12  -5.498  -6.942   4.698
   78    HA   LEU  12           HA       LEU  12  -4.933  -5.513   7.257
   79   1HB   LEU  12          2HB       LEU  12  -3.933  -5.084   4.424
   80   2HB   LEU  12          1HB       LEU  12  -3.310  -4.291   5.871
   81    HG   LEU  12           HG       LEU  12  -3.352  -7.300   5.534
   82   1HD1  LEU  12          2HD1      LEU  12  -1.350  -5.238   4.665
   83   2HD1  LEU  12          1HD1      LEU  12  -0.777  -6.803   5.243
   84   3HD1  LEU  12          3HD1      LEU  12  -1.852  -6.718   3.847
   85   1HD2  LEU  12          1HD2      LEU  12  -1.907  -5.404   7.410
   86   2HD2  LEU  12          3HD2      LEU  12  -3.198  -6.526   7.841
   87   3HD2  LEU  12          2HD2      LEU  12  -1.624  -7.143   7.339
   88    H    GLU  13           HN       GLU  13  -7.349  -5.557   4.985
   89    HA   GLU  13           HA       GLU  13  -7.686  -2.722   4.451
   90   1HB   GLU  13          2HB       GLU  13  -9.572  -5.098   4.347
   91   2HB   GLU  13          1HB       GLU  13  -9.914  -3.515   3.649
   92   1HG   GLU  13          2HG       GLU  13  -7.906  -3.726   2.214
   93   2HG   GLU  13          1HG       GLU  13  -7.598  -5.324   2.894
   94    H    SER  14           HN       SER  14 -10.041  -4.778   6.154
   95    HA   SER  14           HA       SER  14 -11.431  -2.870   7.573
   96   1HB   SER  14          2HB       SER  14 -10.476  -5.471   8.788
   97   2HB   SER  14          1HB       SER  14 -12.017  -4.658   9.057
   98    HG   SER  14           HG       SER  14 -12.746  -5.355   7.184
   99    H    VAL  15           HN       VAL  15  -8.441  -4.468   8.765
  100    HA   VAL  15           HA       VAL  15  -8.254  -3.039  11.201
  101    HB   VAL  15           HB       VAL  15  -5.763  -3.599  10.885
  102   1HG1  VAL  15          3HG1      VAL  15  -7.881  -5.052  11.721
  103   2HG1  VAL  15          2HG1      VAL  15  -7.361  -6.053  10.361
  104   3HG1  VAL  15          1HG1      VAL  15  -6.240  -5.700  11.676
  105   1HG2  VAL  15          2HG2      VAL  15  -5.912  -3.540   8.361
  106   2HG2  VAL  15          1HG2      VAL  15  -5.176  -5.001   9.013
  107   3HG2  VAL  15          3HG2      VAL  15  -6.843  -5.034   8.443
  108    H    LYS  16           HN       LYS  16  -6.930  -2.207   7.966
  109    HA   LYS  16           HA       LYS  16  -5.589   0.185   8.708
  110   1HB   LYS  16          2HB       LYS  16  -5.444  -0.889   6.494
  111   2HB   LYS  16          1HB       LYS  16  -7.149  -0.540   6.199
  112   1HG   LYS  16          2HG       LYS  16  -6.594   1.916   6.504
  113   2HG   LYS  16          1HG       LYS  16  -4.891   1.458   6.515
  114   1HD   LYS  16          2HD       LYS  16  -5.114   0.481   4.278
  115   2HD   LYS  16          1HD       LYS  16  -6.838   0.852   4.268
  116   1HE   LYS  16          2HE       LYS  16  -5.965   3.319   4.768
  117   2HE   LYS  16          1HE       LYS  16  -4.500   2.706   3.979
  118   1HZ   LYS  16          1HZ       LYS  16  -6.002   1.800   2.216
  119   2HZ   LYS  16          3HZ       LYS  16  -7.278   2.667   2.920
  120   3HZ   LYS  16          2HZ       LYS  16  -5.944   3.497   2.272
  121    H    LYS  17           HN       LYS  17  -8.915  -0.192   7.414
  122    HA   LYS  17           HA       LYS  17  -9.667   2.528   8.199
  123   1HB   LYS  17          2HB       LYS  17 -11.174   0.120   7.125
  124   2HB   LYS  17          1HB       LYS  17 -11.878   1.727   7.305
  125   1HG   LYS  17          2HG       LYS  17 -10.110   2.635   5.804
  126   2HG   LYS  17          1HG       LYS  17  -9.492   1.000   5.577
  127   1HD   LYS  17          2HD       LYS  17 -11.705   0.308   4.684
  128   2HD   LYS  17          1HD       LYS  17 -12.277   1.967   4.861
  129   1HE   LYS  17          2HE       LYS  17  -9.758   1.949   3.431
  130   2HE   LYS  17          1HE       LYS  17 -10.928   0.883   2.630
  131   1HZ   LYS  17          2HZ       LYS  17 -12.558   2.816   3.190
  132   2HZ   LYS  17          1HZ       LYS  17 -11.143   3.755   3.248
  133   3HZ   LYS  17          3HZ       LYS  17 -11.556   2.934   1.822
  134    H    LEU  18           HN       LEU  18  -8.977   0.082  10.147
  135    HA   LEU  18           HA       LEU  18 -11.322  -0.478  11.678
  136   1HB   LEU  18          2HB       LEU  18  -8.977  -1.552  11.585
  137   2HB   LEU  18          1HB       LEU  18  -8.479  -0.273  12.691
  138    HG   LEU  18           HG       LEU  18 -10.831  -2.098  13.244
  139   1HD1  LEU  18          3HD1      LEU  18  -7.900  -2.384  13.963
  140   2HD1  LEU  18          2HD1      LEU  18  -9.182  -3.220  14.838
  141   3HD1  LEU  18          1HD1      LEU  18  -8.924  -3.552  13.126
  142   1HD2  LEU  18          3HD2      LEU  18  -9.181  -0.156  14.878
  143   2HD2  LEU  18          2HD2      LEU  18 -10.915  -0.098  14.562
  144   3HD2  LEU  18          1HD2      LEU  18 -10.252  -1.349  15.614
  145    H    LYS  19           HN       LYS  19  -8.831   2.069  11.960
  146    HA   LYS  19           HA       LYS  19  -9.684   3.264  14.385
  147   1HB   LYS  19          2HB       LYS  19  -7.614   3.742  13.046
  148   2HB   LYS  19          1HB       LYS  19  -8.616   4.599  11.874
  149   1HG   LYS  19          2HG       LYS  19  -9.375   6.130  13.684
  150   2HG   LYS  19          1HG       LYS  19  -8.301   5.300  14.811
  151   1HD   LYS  19          2HD       LYS  19  -6.389   5.855  13.243
  152   2HD   LYS  19          1HD       LYS  19  -7.513   6.871  12.341
  153   1HE   LYS  19          2HE       LYS  19  -6.192   8.165  14.045
  154   2HE   LYS  19          1HE       LYS  19  -7.936   8.223  14.361
  155   1HZ   LYS  19          2HZ       LYS  19  -6.569   5.918  15.455
  156   2HZ   LYS  19          1HZ       LYS  19  -6.102   7.396  16.151
  157   3HZ   LYS  19          3HZ       LYS  19  -7.732   6.927  16.173
  158    H    ASP  20           HN       ASP  20 -10.769   3.829  11.035
  159    HA   ASP  20           HA       ASP  20 -12.890   5.680  11.979
  160   1HB   ASP  20          2HB       ASP  20 -11.486   6.162   9.978
  161   2HB   ASP  20          1HB       ASP  20 -12.097   4.694   9.215
  162    H    LEU  21           HN       LEU  21 -14.777   4.714  12.654
  163    HA   LEU  21           HA       LEU  21 -15.452   1.972  11.933
  164   1HB   LEU  21          2HB       LEU  21 -15.905   3.362  14.086
  165   2HB   LEU  21          1HB       LEU  21 -17.284   4.008  13.194
  166    HG   LEU  21           HG       LEU  21 -17.939   2.038  14.535
  167   1HD1  LEU  21          2HD1      LEU  21 -18.747   2.580  12.070
  168   2HD1  LEU  21          1HD1      LEU  21 -17.926   1.065  11.699
  169   3HD1  LEU  21          3HD1      LEU  21 -19.249   1.089  12.866
  170   1HD2  LEU  21          3HD2      LEU  21 -15.434   1.080  13.810
  171   2HD2  LEU  21          2HD2      LEU  21 -16.695   0.147  14.613
  172   3HD2  LEU  21          1HD2      LEU  21 -16.537   0.088  12.858
  173    H    GLN  22           HN       GLN  22 -16.440   1.411  10.052
  174    HA   GLN  22           HA       GLN  22 -18.639   3.067   8.974
  175   1HB   GLN  22          2HB       GLN  22 -17.469   3.124   6.730
  176   2HB   GLN  22          1HB       GLN  22 -16.680   4.091   7.976
  177   1HG   GLN  22          2HG       GLN  22 -15.137   2.188   8.430
  178   2HG   GLN  22          1HG       GLN  22 -15.894   1.289   7.114
  179   1HE2  GLN  22          1HE2      GLN  22 -13.183   3.039   7.709
  180   2HE2  GLN  22          2HE2      GLN  22 -12.921   3.725   6.179
  181    H    GLU  23           HN       GLU  23 -19.582   1.873   6.967
  182    HA   GLU  23           HA       GLU  23 -19.155  -1.085   7.234
  183   1HB   GLU  23          2HB       GLU  23 -21.325   0.407   8.118
  184   2HB   GLU  23          1HB       GLU  23 -21.873  -0.217   6.561
  185   1HG   GLU  23          2HG       GLU  23 -20.480  -2.081   8.453
  186   2HG   GLU  23          1HG       GLU  23 -22.165  -1.663   8.762
  187    HA   PRO  24           HA       PRO  24 -19.082   0.681   2.795
  188   1HB   PRO  24          2HB       PRO  24 -16.509  -0.572   2.516
  189   2HB   PRO  24          1HB       PRO  24 -16.890   1.151   2.464
  190   1HG   PRO  24          2HG       PRO  24 -15.547  -0.309   4.552
  191   2HG   PRO  24          1HG       PRO  24 -15.892   1.421   4.481
  192   1HD   PRO  24          2HD       PRO  24 -17.132  -0.549   6.175
  193   2HD   PRO  24          1HD       PRO  24 -17.519   1.183   6.059
  194    H    GLN  25           HN       GLN  25 -19.629  -0.707   1.058
  195    HA   GLN  25           HA       GLN  25 -20.439  -3.388   1.616
  196   1HB   GLN  25          2HB       GLN  25 -19.829  -1.925  -0.971
  197   2HB   GLN  25          1HB       GLN  25 -20.704  -3.454  -0.877
  198   1HG   GLN  25          2HG       GLN  25 -22.389  -2.358   0.597
  199   2HG   GLN  25          1HG       GLN  25 -21.540  -0.827   0.388
  200   1HE2  GLN  25          1HE2      GLN  25 -21.996   0.371  -1.506
  201   2HE2  GLN  25          2HE2      GLN  25 -22.974  -0.194  -2.773
  202    H    GLU  26           HN       GLU  26 -17.417  -2.040   0.436
  203    HA   GLU  26           HA       GLU  26 -15.398  -3.093  -0.234
  204   1HB   GLU  26          2HB       GLU  26 -16.237  -3.724   2.338
  205   2HB   GLU  26          1HB       GLU  26 -15.823  -5.296   1.653
  206   1HG   GLU  26          2HG       GLU  26 -14.052  -2.848   1.860
  207   2HG   GLU  26          1HG       GLU  26 -13.808  -4.419   2.623
  208    HA   PRO  27           HA       PRO  27 -17.947  -6.504  -2.408
  209   1HB   PRO  27          2HB       PRO  27 -17.463  -5.108  -4.873
  210   2HB   PRO  27          1HB       PRO  27 -19.012  -5.403  -4.080
  211   1HG   PRO  27          2HG       PRO  27 -17.587  -2.918  -4.307
  212   2HG   PRO  27          1HG       PRO  27 -19.139  -3.211  -3.520
  213   1HD   PRO  27          2HD       PRO  27 -16.600  -2.647  -2.269
  214   2HD   PRO  27          1HD       PRO  27 -18.165  -2.950  -1.480
  215    H    ARG  28           HN       ARG  28 -15.007  -4.685  -3.102
  216    HA   ARG  28           HA       ARG  28 -13.687  -7.236  -3.952
  217   1HB   ARG  28          2HB       ARG  28 -14.319  -5.790  -5.883
  218   2HB   ARG  28          1HB       ARG  28 -13.375  -4.477  -5.182
  219   1HG   ARG  28          2HG       ARG  28 -11.351  -5.937  -5.269
  220   2HG   ARG  28          1HG       ARG  28 -12.315  -7.175  -6.076
  221   1HD   ARG  28          2HD       ARG  28 -12.838  -5.505  -7.887
  222   2HD   ARG  28          1HD       ARG  28 -11.708  -4.381  -7.110
  223    HE   ARG  28           HE       ARG  28 -10.197  -6.654  -7.306
  224   1HH1  ARG  28          1HH1      ARG  28 -10.445  -4.125  -9.241
  225   2HH1  ARG  28          2HH1      ARG  28 -10.313  -4.949 -10.759
  226   1HH2  ARG  28          1HH2      ARG  28 -10.788  -8.100  -9.393
  227   2HH2  ARG  28          2HH2      ARG  28 -10.508  -7.199 -10.845
  228    H    VAL  29           HN       VAL  29 -11.497  -7.407  -3.277
  229    HA   VAL  29           HA       VAL  29 -10.699  -6.116  -0.885
  230    HB   VAL  29           HB       VAL  29  -8.575  -7.210  -1.328
  231   1HG1  VAL  29          1HG1      VAL  29 -11.090  -8.483  -1.525
  232   2HG1  VAL  29          3HG1      VAL  29 -10.071  -9.229  -2.755
  233   3HG1  VAL  29          2HG1      VAL  29  -9.555  -9.221  -1.068
  234   1HG2  VAL  29          1HG2      VAL  29  -9.497  -6.928  -4.164
  235   2HG2  VAL  29          3HG2      VAL  29  -7.900  -6.643  -3.473
  236   3HG2  VAL  29          2HG2      VAL  29  -8.461  -8.293  -3.750
  237    H    GLY  30           HN       GLY  30  -9.751  -4.138  -0.511
  238   1HA   GLY  30          1HA       GLY  30  -8.842  -2.019  -0.950
  239   2HA   GLY  30          2HA       GLY  30  -9.543  -2.163  -2.561
  240    H    LYS  31           HN       LYS  31  -8.058  -2.134  -4.173
  241    HA   LYS  31           HA       LYS  31  -5.736  -3.779  -4.300
  242   1HB   LYS  31          2HB       LYS  31  -6.492  -1.180  -5.675
  243   2HB   LYS  31          1HB       LYS  31  -5.178  -2.231  -6.202
  244   1HG   LYS  31          2HG       LYS  31  -6.823  -4.099  -6.434
  245   2HG   LYS  31          1HG       LYS  31  -8.114  -2.971  -6.023
  246   1HD   LYS  31          2HD       LYS  31  -7.414  -1.548  -7.965
  247   2HD   LYS  31          1HD       LYS  31  -6.250  -2.798  -8.409
  248   1HE   LYS  31          2HE       LYS  31  -9.075  -3.675  -7.969
  249   2HE   LYS  31          1HE       LYS  31  -8.721  -2.770  -9.453
  250   1HZ   LYS  31          3HZ       LYS  31  -6.696  -4.297  -9.612
  251   2HZ   LYS  31          2HZ       LYS  31  -7.494  -5.285  -8.482
  252   3HZ   LYS  31          1HZ       LYS  31  -8.204  -4.972  -9.993
  253    H    LEU  32           HN       LEU  32  -6.214  -0.499  -3.061
  254    HA   LEU  32           HA       LEU  32  -3.294  -0.236  -2.520
  255   1HB   LEU  32          2HB       LEU  32  -4.570   1.574  -3.655
  256   2HB   LEU  32          1HB       LEU  32  -5.610   1.707  -2.237
  257    HG   LEU  32           HG       LEU  32  -3.497   2.128  -0.879
  258   1HD1  LEU  32          2HD1      LEU  32  -2.369   2.380  -3.683
  259   2HD1  LEU  32          1HD1      LEU  32  -1.557   2.975  -2.234
  260   3HD1  LEU  32          3HD1      LEU  32  -1.852   1.247  -2.433
  261   1HD2  LEU  32          2HD2      LEU  32  -5.035   3.858  -2.540
  262   2HD2  LEU  32          1HD2      LEU  32  -4.171   4.267  -1.058
  263   3HD2  LEU  32          3HD2      LEU  32  -3.359   4.404  -2.619
  264    H    ARG  33           HN       ARG  33  -2.520  -0.471  -0.445
  265    HA   ARG  33           HA       ARG  33  -4.464  -0.341   1.826
  266   1HB   ARG  33          2HB       ARG  33  -3.423  -2.423   2.696
  267   2HB   ARG  33          1HB       ARG  33  -4.144  -2.684   1.108
  268   1HG   ARG  33          2HG       ARG  33  -1.808  -2.138   0.158
  269   2HG   ARG  33          1HG       ARG  33  -1.222  -2.366   1.806
  270   1HD   ARG  33          2HD       ARG  33  -2.102  -4.653   1.843
  271   2HD   ARG  33          1HD       ARG  33  -2.809  -4.429   0.231
  272    HE   ARG  33           HE       ARG  33  -0.518  -4.209  -0.661
  273   1HH1  ARG  33          1HH1      ARG  33  -0.916  -6.601   1.474
  274   2HH1  ARG  33          2HH1      ARG  33   0.700  -6.639   2.094
  275   1HH2  ARG  33          1HH2      ARG  33   1.616  -3.631   0.632
  276   2HH2  ARG  33          2HH2      ARG  33   2.135  -4.958   1.616
  277    H    ASN  34           HN       ASN  34  -3.661   1.212   3.193
  278    HA   ASN  34           HA       ASN  34  -0.981   1.076   4.262
  279   1HB   ASN  34          2HB       ASN  34  -0.103   3.102   3.164
  280   2HB   ASN  34          1HB       ASN  34  -0.534   1.888   1.960
  281   1HD2  ASN  34          1HD2      ASN  34  -0.437   4.742   1.396
  282   2HD2  ASN  34          2HD2      ASN  34  -2.014   5.239   1.013
  283    H    PHE  35           HN       PHE  35  -1.236   4.252   4.187
  284    HA   PHE  35           HA       PHE  35  -2.140   5.901   5.617
  285   1HB   PHE  35          2HB       PHE  35  -4.231   4.998   4.559
  286   2HB   PHE  35          1HB       PHE  35  -4.365   3.855   5.894
  287    HD1  PHE  35           HD1      PHE  35  -4.543   7.410   4.925
  288    HD2  PHE  35           HD2      PHE  35  -4.963   4.586   8.135
  289    HE1  PHE  35           HE1      PHE  35  -5.652   9.145   6.306
  290    HE2  PHE  35           HE2      PHE  35  -6.074   6.321   9.516
  291    HZ   PHE  35           HZ       PHE  35  -6.418   8.601   8.602
  292    H    ALA  36           HN       ALA  36  -0.457   5.552   7.211
  293    HA   ALA  36           HA       ALA  36  -0.271   3.555   9.159
  294   1HB   ALA  36          1HB       ALA  36   0.171   6.492   9.711
  295   2HB   ALA  36          2HB       ALA  36   1.207   5.599   8.597
  296   3HB   ALA  36          3HB       ALA  36   1.114   5.119  10.291
  297    HA   PRO  37           HA       PRO  37  -4.302   4.342  11.087
  298   1HB   PRO  37          2HB       PRO  37  -3.772   2.027  12.710
  299   2HB   PRO  37          1HB       PRO  37  -4.892   2.171  11.354
  300   1HG   PRO  37          2HG       PRO  37  -2.425   0.730  11.432
  301   2HG   PRO  37          1HG       PRO  37  -3.509   0.933  10.053
  302   1HD   PRO  37          2HD       PRO  37  -0.908   2.155  10.495
  303   2HD   PRO  37          1HD       PRO  37  -1.949   2.264   9.057
  304    H    ILE  38           HN       ILE  38  -1.136   4.486  12.263
  305    HA   ILE  38           HA       ILE  38  -0.220   5.473  14.205
  306    HB   ILE  38           HB       ILE  38  -3.105   6.289  14.676
  307   1HG1  ILE  38          2HG1      ILE  38  -1.456   8.284  13.389
  308   2HG1  ILE  38          1HG1      ILE  38  -1.495   6.813  12.417
  309   1HG2  ILE  38          1HG2      ILE  38  -0.417   7.210  15.650
  310   2HG2  ILE  38          3HG2      ILE  38  -1.735   8.374  15.516
  311   3HG2  ILE  38          2HG2      ILE  38  -1.907   6.964  16.561
  312   1HD1  ILE  38          1HD1      ILE  38  -4.052   6.851  12.827
  313   2HD1  ILE  38          3HD1      ILE  38  -3.809   8.524  13.328
  314   3HD1  ILE  38          2HD1      ILE  38  -3.392   8.025  11.689
  315    HA   PRO  39           HA       PRO  39  -1.919   1.730  16.471
  316   1HB   PRO  39          2HB       PRO  39   0.837   1.015  16.882
  317   2HB   PRO  39          1HB       PRO  39  -0.369   0.177  15.904
  318   1HG   PRO  39          2HG       PRO  39   1.879   1.721  14.998
  319   2HG   PRO  39          1HG       PRO  39   0.675   0.879  14.019
  320   1HD   PRO  39          2HD       PRO  39   0.977   3.725  14.391
  321   2HD   PRO  39          1HD       PRO  39  -0.240   2.876  13.410
  322    H    GLY  40           HN       GLY  40  -1.754   1.418  18.786
  323   1HA   GLY  40          1HA       GLY  40  -0.315   3.629  20.197
  324   2HA   GLY  40          2HA       GLY  40  -0.363   1.990  20.845
  325    H    GLU  41           HN       GLU  41  -3.188   1.638  19.932
  326    HA   GLU  41           HA       GLU  41  -4.507   3.354  22.013
  327   1HB   GLU  41          2HB       GLU  41  -5.210   2.603  19.198
  328   2HB   GLU  41          1HB       GLU  41  -6.524   2.848  20.347
  329   1HG   GLU  41          2HG       GLU  41  -5.709   5.089  20.862
  330   2HG   GLU  41          1HG       GLU  41  -4.301   4.847  19.827
  331    HA   PRO  42           HA       PRO  42  -4.857  -1.226  22.973
  332   1HB   PRO  42          2HB       PRO  42  -4.545  -0.439  25.723
  333   2HB   PRO  42          1HB       PRO  42  -3.430  -1.377  24.726
  334   1HG   PRO  42          2HG       PRO  42  -3.135   1.335  25.633
  335   2HG   PRO  42          1HG       PRO  42  -2.018   0.395  24.640
  336   1HD   PRO  42          2HD       PRO  42  -3.690   2.599  23.817
  337   2HD   PRO  42          1HD       PRO  42  -2.571   1.644  22.815
  338    H    VAL  43           HN       VAL  43  -7.136  -0.969  22.406
  339    HA   VAL  43           HA       VAL  43  -8.863  -0.337  24.771
  340    HB   VAL  43           HB       VAL  43  -8.769   1.564  23.181
  341   1HG1  VAL  43          2HG1      VAL  43  -8.578  -0.416  21.261
  342   2HG1  VAL  43          1HG1      VAL  43 -10.231   0.163  21.054
  343   3HG1  VAL  43          3HG1      VAL  43  -8.880   1.290  20.933
  344   1HG2  VAL  43          3HG2      VAL  43 -11.027   0.362  24.234
  345   2HG2  VAL  43          2HG2      VAL  43 -10.980   1.960  23.488
  346   3HG2  VAL  43          1HG2      VAL  43 -11.448   0.554  22.532
  347    H    VAL  44           HN       VAL  44 -10.280  -2.001  25.160
  348    HA   VAL  44           HA       VAL  44 -11.385  -3.591  22.937
  349    HB   VAL  44           HB       VAL  44  -9.336  -4.572  24.922
  350   1HG1  VAL  44          2HG1      VAL  44 -11.633  -6.052  23.717
  351   2HG1  VAL  44          1HG1      VAL  44 -10.072  -6.873  23.770
  352   3HG1  VAL  44          3HG1      VAL  44 -10.821  -6.305  25.263
  353   1HG2  VAL  44          1HG2      VAL  44  -9.638  -4.330  21.977
  354   2HG2  VAL  44          3HG2      VAL  44  -8.186  -4.217  22.972
  355   3HG2  VAL  44          2HG2      VAL  44  -8.847  -5.798  22.552
  356    HA   PRO  45           HA       PRO  45 -14.036  -2.951  26.744
  357   1HB   PRO  45          2HB       PRO  45 -16.165  -2.372  24.897
  358   2HB   PRO  45          1HB       PRO  45 -15.379  -1.269  26.028
  359   1HG   PRO  45          2HG       PRO  45 -15.145  -1.309  23.174
  360   2HG   PRO  45          1HG       PRO  45 -14.323  -0.237  24.309
  361   1HD   PRO  45          2HD       PRO  45 -13.197  -2.429  22.782
  362   2HD   PRO  45          1HD       PRO  45 -12.355  -1.302  23.871
  363    H    ILE  46           HN       ILE  46 -15.583  -4.515  27.451
  364    HA   ILE  46           HA       ILE  46 -15.566  -7.104  26.393
  365    HB   ILE  46           HB       ILE  46 -16.452  -6.167  28.614
  366   1HG1  ILE  46          2HG1      ILE  46 -18.397  -8.096  27.362
  367   2HG1  ILE  46          1HG1      ILE  46 -16.716  -8.566  27.617
  368   1HG2  ILE  46          2HG2      ILE  46 -18.064  -4.625  27.251
  369   2HG2  ILE  46          1HG2      ILE  46 -19.097  -6.053  27.184
  370   3HG2  ILE  46          3HG2      ILE  46 -18.650  -5.360  28.743
  371   1HD1  ILE  46          2HD1      ILE  46 -17.665  -7.282  29.996
  372   2HD1  ILE  46          1HD1      ILE  46 -18.833  -8.518  29.529
  373   3HD1  ILE  46          3HD1      ILE  46 -17.145  -8.955  29.792
  374    H    LEU  47           HN       LEU  47 -17.453  -4.331  25.360
  375    HA   LEU  47           HA       LEU  47 -19.144  -6.011  23.580
  376   1HB   LEU  47          2HB       LEU  47 -19.075  -3.025  24.142
  377   2HB   LEU  47          1HB       LEU  47 -20.334  -3.875  23.245
  378    HG   LEU  47           HG       LEU  47 -19.607  -4.639  26.074
  379   1HD1  LEU  47          2HD1      LEU  47 -21.263  -2.374  25.061
  380   2HD1  LEU  47          1HD1      LEU  47 -21.899  -3.293  26.424
  381   3HD1  LEU  47          3HD1      LEU  47 -20.328  -2.503  26.551
  382   1HD2  LEU  47          2HD2      LEU  47 -21.594  -5.423  24.048
  383   2HD2  LEU  47          1HD2      LEU  47 -21.003  -6.318  25.448
  384   3HD2  LEU  47          3HD2      LEU  47 -22.281  -5.118  25.642
  385    H    CYS  48           HN       CYS  48 -16.090  -4.968  23.390
  386    HA   CYS  48           HA       CYS  48 -14.653  -4.686  21.537
  387   1HB   CYS  48          2HB       CYS  48 -17.071  -5.843  20.564
  388   2HB   CYS  48          1HB       CYS  48 -16.585  -4.594  19.417
  389    H    SER  49           HN       SER  49 -13.800  -2.726  21.005
  390    HA   SER  49           HA       SER  49 -15.077  -0.247  21.433
  391   1HB   SER  49          2HB       SER  49 -13.130   0.650  20.261
  392   2HB   SER  49          1HB       SER  49 -12.629  -0.729  21.238
  393    HG   SER  49           HG       SER  49 -11.764  -1.114  19.284
  394    H    ASN  50           HN       ASN  50 -13.988  -1.066  18.164
  395    HA   ASN  50           HA       ASN  50 -16.202   0.429  16.976
  396   1HB   ASN  50          2HB       ASN  50 -13.750  -1.057  16.094
  397   2HB   ASN  50          1HB       ASN  50 -14.968  -0.641  14.889
  398   1HD2  ASN  50          1HD2      ASN  50 -15.837   1.870  15.781
  399   2HD2  ASN  50          2HD2      ASN  50 -14.543   2.968  15.758
  400    HA   PRO  51           HA       PRO  51 -18.777  -3.286  17.073
  401   1HB   PRO  51          2HB       PRO  51 -20.783  -1.737  15.714
  402   2HB   PRO  51          1HB       PRO  51 -20.750  -2.225  17.410
  403   1HG   PRO  51          2HG       PRO  51 -20.363   0.402  16.338
  404   2HG   PRO  51          1HG       PRO  51 -20.280  -0.097  18.029
  405   1HD   PRO  51          2HD       PRO  51 -18.097   0.660  16.275
  406   2HD   PRO  51          1HD       PRO  51 -18.026   0.232  18.000
  407    H    ASN  52           HN       ASN  52 -17.399  -1.575  14.492
  408    HA   ASN  52           HA       ASN  52 -18.322  -3.671  12.560
  409   1HB   ASN  52          2HB       ASN  52 -18.163  -0.668  12.330
  410   2HB   ASN  52          1HB       ASN  52 -18.134  -1.687  10.890
  411   1HD2  ASN  52          1HD2      ASN  52 -20.171  -0.455  13.467
  412   2HD2  ASN  52          2HD2      ASN  52 -21.619  -1.152  12.916
  413    H    PHE  53           HN       PHE  53 -15.818  -3.378  14.201
  414    HA   PHE  53           HA       PHE  53 -13.704  -2.600  12.324
  415   1HB   PHE  53          2HB       PHE  53 -12.297  -2.972  14.162
  416   2HB   PHE  53          1HB       PHE  53 -13.827  -2.622  14.969
  417    HD1  PHE  53           HD1      PHE  53 -15.416  -4.855  15.123
  418    HD2  PHE  53           HD2      PHE  53 -11.121  -4.800  14.985
  419    HE1  PHE  53           HE1      PHE  53 -15.350  -7.083  16.207
  420    HE2  PHE  53           HE2      PHE  53 -11.058  -7.031  16.069
  421    HZ   PHE  53           HZ       PHE  53 -13.170  -8.167  16.679
  422    HA   PRO  54           HA       PRO  54 -12.687  -6.433  10.405
  423   1HB   PRO  54          2HB       PRO  54 -10.444  -7.279  12.014
  424   2HB   PRO  54          1HB       PRO  54 -10.419  -6.560  10.406
  425   1HG   PRO  54          2HG       PRO  54  -9.684  -5.350  12.914
  426   2HG   PRO  54          1HG       PRO  54  -9.627  -4.632  11.303
  427   1HD   PRO  54          2HD       PRO  54 -11.433  -3.997  13.426
  428   2HD   PRO  54          1HD       PRO  54 -11.452  -3.346  11.774
  429    H    GLU  55           HN       GLU  55 -14.742  -7.103  11.579
  430    HA   GLU  55           HA       GLU  55 -15.030  -8.461  13.967
  431   1HB   GLU  55          2HB       GLU  55 -16.920  -9.522  12.902
  432   2HB   GLU  55          1HB       GLU  55 -16.730  -7.926  12.170
  433   1HG   GLU  55          2HG       GLU  55 -15.462  -8.962  10.299
  434   2HG   GLU  55          1HG       GLU  55 -15.711 -10.550  11.026
  435    H    GLU  56           HN       GLU  56 -13.561  -9.727  10.983
  436    HA   GLU  56           HA       GLU  56 -13.376 -12.471  11.638
  437   1HB   GLU  56          2HB       GLU  56 -11.428 -10.597  10.246
  438   2HB   GLU  56          1HB       GLU  56 -11.352 -12.357  10.155
  439   1HG   GLU  56          2HG       GLU  56 -13.677 -12.363   9.233
  440   2HG   GLU  56          1HG       GLU  56 -13.640 -10.600   9.218
  441    H    LEU  57           HN       LEU  57 -11.889  -9.714  13.051
  442    HA   LEU  57           HA       LEU  57  -9.797 -11.298  14.453
  443   1HB   LEU  57          2HB       LEU  57 -10.480  -8.356  14.180
  444   2HB   LEU  57          1HB       LEU  57  -9.173  -8.944  15.211
  445    HG   LEU  57           HG       LEU  57  -8.187 -10.088  13.232
  446   1HD1  LEU  57          2HD1      LEU  57 -10.619  -8.912  11.949
  447   2HD1  LEU  57          1HD1      LEU  57  -9.146  -9.056  10.993
  448   3HD1  LEU  57          3HD1      LEU  57  -9.882 -10.491  11.704
  449   1HD2  LEU  57          1HD2      LEU  57  -8.674  -7.105  13.032
  450   2HD2  LEU  57          3HD2      LEU  57  -7.308  -7.913  13.801
  451   3HD2  LEU  57          2HD2      LEU  57  -7.489  -7.963  12.047
  452    H    LYS  58           HN       LYS  58 -12.916 -11.079  14.863
  453    HA   LYS  58           HA       LYS  58 -13.746  -9.938  17.205
  454   1HB   LYS  58          2HB       LYS  58 -15.321 -11.243  16.104
  455   2HB   LYS  58          1HB       LYS  58 -14.204 -12.588  15.885
  456   1HG   LYS  58          2HG       LYS  58 -14.326 -13.050  18.328
  457   2HG   LYS  58          1HG       LYS  58 -15.502 -11.747  18.496
  458   1HD   LYS  58          2HD       LYS  58 -16.145 -13.706  16.386
  459   2HD   LYS  58          1HD       LYS  58 -16.156 -14.367  18.020
  460   1HE   LYS  58          2HE       LYS  58 -18.180 -13.402  18.364
  461   2HE   LYS  58          1HE       LYS  58 -17.447 -11.808  18.098
  462   1HZ   LYS  58          2HZ       LYS  58 -18.197 -13.660  15.898
  463   2HZ   LYS  58          1HZ       LYS  58 -19.225 -12.431  16.462
  464   3HZ   LYS  58          3HZ       LYS  58 -17.732 -12.032  15.763
  465    HA   PRO  59           HA       PRO  59 -11.825 -13.656  19.763
  466   1HB   PRO  59          2HB       PRO  59  -9.444 -14.354  18.299
  467   2HB   PRO  59          1HB       PRO  59 -10.814 -15.389  18.710
  468   1HG   PRO  59          2HG       PRO  59 -10.127 -14.236  16.138
  469   2HG   PRO  59          1HG       PRO  59 -11.400 -15.399  16.517
  470   1HD   PRO  59          2HD       PRO  59 -11.756 -12.681  15.797
  471   2HD   PRO  59          1HD       PRO  59 -13.005 -13.771  16.437
  472    H    LEU  60           HN       LEU  60  -9.624 -11.679  17.721
  473    HA   LEU  60           HA       LEU  60  -7.663 -11.113  19.685
  474   1HB   LEU  60          2HB       LEU  60  -8.767  -9.711  17.255
  475   2HB   LEU  60          1HB       LEU  60  -7.504  -8.951  18.219
  476    HG   LEU  60           HG       LEU  60  -6.715 -10.391  16.250
  477   1HD1  LEU  60          2HD1      LEU  60  -5.449  -9.725  18.437
  478   2HD1  LEU  60          1HD1      LEU  60  -5.664 -11.420  18.873
  479   3HD1  LEU  60          3HD1      LEU  60  -4.773 -10.993  17.414
  480   1HD2  LEU  60          3HD2      LEU  60  -7.595 -12.573  18.164
  481   2HD2  LEU  60          2HD2      LEU  60  -8.301 -12.245  16.581
  482   3HD2  LEU  60          1HD2      LEU  60  -6.639 -12.824  16.703
  483    H    CYS  61           HN       CYS  61 -10.793  -9.527  19.001
  484    HA   CYS  61           HA       CYS  61 -10.463  -7.346  20.844
  485   1HB   CYS  61          2HB       CYS  61 -12.085  -7.490  18.958
  486   2HB   CYS  61          1HB       CYS  61 -12.947  -8.764  19.822
  487    H    LYS  62           HN       LYS  62 -11.531 -10.691  21.203
  488    HA   LYS  62           HA       LYS  62 -12.399 -10.196  24.004
  489   1HB   LYS  62          2HB       LYS  62 -12.465 -12.593  22.143
  490   2HB   LYS  62          1HB       LYS  62 -13.120 -12.597  23.781
  491   1HG   LYS  62          2HG       LYS  62 -14.597 -10.682  23.147
  492   2HG   LYS  62          1HG       LYS  62 -14.001 -10.812  21.492
  493   1HD   LYS  62          2HD       LYS  62 -14.793 -13.187  21.447
  494   2HD   LYS  62          1HD       LYS  62 -15.493 -12.946  23.048
  495   1HE   LYS  62          2HE       LYS  62 -16.196 -11.229  20.643
  496   2HE   LYS  62          1HE       LYS  62 -17.155 -12.623  21.176
  497   1HZ   LYS  62          1HZ       LYS  62 -16.891 -11.458  23.487
  498   2HZ   LYS  62          3HZ       LYS  62 -16.662 -10.066  22.545
  499   3HZ   LYS  62          2HZ       LYS  62 -18.105 -10.953  22.411
  500    H    GLU  63           HN       GLU  63  -9.495 -10.604  22.577
  501    HA   GLU  63           HA       GLU  63  -8.454 -12.640  24.484
  502   1HB   GLU  63          2HB       GLU  63  -7.910 -11.736  21.801
  503   2HB   GLU  63          1HB       GLU  63  -6.447 -11.581  22.775
  504   1HG   GLU  63          2HG       GLU  63  -6.548 -13.900  23.423
  505   2HG   GLU  63          1HG       GLU  63  -8.146 -14.087  22.699
  506    HA   PRO  64           HA       PRO  64  -6.861  -9.539  27.194
  507   1HB   PRO  64          2HB       PRO  64  -4.597 -11.188  27.858
  508   2HB   PRO  64          1HB       PRO  64  -6.073 -10.941  28.793
  509   1HG   PRO  64          2HG       PRO  64  -5.274 -13.295  27.371
  510   2HG   PRO  64          1HG       PRO  64  -6.772 -13.033  28.268
  511   1HD   PRO  64          2HD       PRO  64  -6.407 -13.176  25.394
  512   2HD   PRO  64          1HD       PRO  64  -7.925 -12.979  26.302
  513    H    ASN  65           HN       ASN  65  -4.878 -11.084  24.726
  514    HA   ASN  65           HA       ASN  65  -2.744  -9.056  24.903
  515   1HB   ASN  65          2HB       ASN  65  -3.326 -11.352  23.007
  516   2HB   ASN  65          1HB       ASN  65  -1.837 -10.408  23.007
  517   1HD2  ASN  65          1HD2      ASN  65  -1.648 -13.164  23.510
  518   2HD2  ASN  65          2HD2      ASN  65  -1.267 -13.422  25.144
  519    H    ALA  66           HN       ALA  66  -5.817  -9.115  23.557
  520    HA   ALA  66           HA       ALA  66  -5.744  -8.162  20.964
  521   1HB   ALA  66          2HB       ALA  66  -7.635  -8.401  22.775
  522   2HB   ALA  66          1HB       ALA  66  -7.309  -6.694  23.078
  523   3HB   ALA  66          3HB       ALA  66  -7.835  -7.221  21.478
  524    H    GLN  67           HN       GLN  67  -4.981  -6.316  23.911
  525    HA   GLN  67           HA       GLN  67  -4.605  -3.755  22.717
  526   1HB   GLN  67          2HB       GLN  67  -3.369  -5.116  25.131
  527   2HB   GLN  67          1HB       GLN  67  -3.247  -3.386  24.807
  528   1HG   GLN  67          2HG       GLN  67  -5.700  -3.193  24.847
  529   2HG   GLN  67          1HG       GLN  67  -5.841  -4.929  25.133
  530   1HE2  GLN  67          1HE2      GLN  67  -6.853  -2.977  27.004
  531   2HE2  GLN  67          2HE2      GLN  67  -5.939  -3.096  28.430
  532    H    GLU  68           HN       GLU  68  -2.331  -6.465  23.211
  533    HA   GLU  68           HA       GLU  68  -0.068  -4.976  22.096
  534   1HB   GLU  68          2HB       GLU  68  -0.553  -7.890  22.793
  535   2HB   GLU  68          1HB       GLU  68   1.017  -7.225  22.340
  536   1HG   GLU  68          2HG       GLU  68  -0.657  -6.263  24.681
  537   2HG   GLU  68          1HG       GLU  68   0.717  -7.362  24.814
  538    H    ILE  69           HN       ILE  69  -2.472  -7.296  20.946
  539    HA   ILE  69           HA       ILE  69  -1.159  -7.834  18.408
  540    HB   ILE  69           HB       ILE  69  -4.048  -8.129  19.302
  541   1HG1  ILE  69          2HG1      ILE  69  -1.902 -10.259  19.277
  542   2HG1  ILE  69          1HG1      ILE  69  -2.204  -9.260  20.699
  543   1HG2  ILE  69          2HG2      ILE  69  -2.728  -8.573  16.794
  544   2HG2  ILE  69          1HG2      ILE  69  -3.181 -10.137  17.470
  545   3HG2  ILE  69          3HG2      ILE  69  -4.409  -8.897  17.214
  546   1HD1  ILE  69          1HD1      ILE  69  -4.742 -10.000  20.129
  547   2HD1  ILE  69          3HD1      ILE  69  -3.882 -11.403  19.495
  548   3HD1  ILE  69          2HD1      ILE  69  -3.690 -10.942  21.186
  549    H    LEU  70           HN       LEU  70  -3.864  -5.728  19.425
  550    HA   LEU  70           HA       LEU  70  -4.669  -4.678  16.964
  551   1HB   LEU  70          2HB       LEU  70  -5.768  -4.176  19.063
  552   2HB   LEU  70          1HB       LEU  70  -4.320  -3.389  19.688
  553    HG   LEU  70           HG       LEU  70  -6.236  -1.898  18.734
  554   1HD1  LEU  70          1HD1      LEU  70  -3.511  -1.563  19.030
  555   2HD1  LEU  70          3HD1      LEU  70  -3.776  -1.083  17.354
  556   3HD1  LEU  70          2HD1      LEU  70  -4.657  -0.277  18.653
  557   1HD2  LEU  70          2HD2      LEU  70  -6.505  -3.189  16.638
  558   2HD2  LEU  70          1HD2      LEU  70  -6.067  -1.513  16.307
  559   3HD2  LEU  70          3HD2      LEU  70  -4.850  -2.784  16.183
  560    H    GLN  71           HN       GLN  71  -2.221  -3.149  19.108
  561    HA   GLN  71           HA       GLN  71  -1.317  -1.121  17.426
  562   1HB   GLN  71          2HB       GLN  71  -0.656  -1.673  19.796
  563   2HB   GLN  71          1HB       GLN  71   0.396  -2.933  19.152
  564   1HG   GLN  71          2HG       GLN  71   1.651  -1.261  17.868
  565   2HG   GLN  71          1HG       GLN  71   0.574   0.011  18.445
  566   1HE2  GLN  71          1HE2      GLN  71   3.179   0.455  19.086
  567   2HE2  GLN  71          2HE2      GLN  71   3.497   0.091  20.713
  568    H    ARG  72           HN       ARG  72   0.032  -4.447  17.573
  569    HA   ARG  72           HA       ARG  72   1.915  -4.214  15.482
  570   1HB   ARG  72          2HB       ARG  72   0.182  -6.513  16.439
  571   2HB   ARG  72          1HB       ARG  72   1.545  -6.718  15.338
  572   1HG   ARG  72          2HG       ARG  72   2.953  -5.497  17.101
  573   2HG   ARG  72          1HG       ARG  72   1.593  -5.736  18.198
  574   1HD   ARG  72          2HD       ARG  72   3.001  -7.978  16.701
  575   2HD   ARG  72          1HD       ARG  72   3.280  -7.567  18.404
  576    HE   ARG  72           HE       ARG  72   0.684  -7.883  18.586
  577   1HH1  ARG  72          1HH1      ARG  72   2.987 -10.117  17.786
  578   2HH1  ARG  72          2HH1      ARG  72   1.907 -11.275  17.085
  579   1HH2  ARG  72          1HH2      ARG  72  -0.820  -9.134  17.093
  580   2HH2  ARG  72          2HH2      ARG  72  -0.248 -10.719  16.693
  581    H    LEU  73           HN       LEU  73  -1.412  -5.546  15.215
  582    HA   LEU  73           HA       LEU  73  -1.545  -5.911  12.449
  583   1HB   LEU  73          2HB       LEU  73  -3.631  -4.881  14.399
  584   2HB   LEU  73          1HB       LEU  73  -3.998  -5.535  12.802
  585    HG   LEU  73           HG       LEU  73  -2.716  -6.989  15.132
  586   1HD1  LEU  73          2HD1      LEU  73  -5.388  -6.898  13.865
  587   2HD1  LEU  73          1HD1      LEU  73  -4.777  -8.517  14.202
  588   3HD1  LEU  73          3HD1      LEU  73  -4.937  -7.346  15.511
  589   1HD2  LEU  73          2HD2      LEU  73  -2.692  -7.521  12.208
  590   2HD2  LEU  73          1HD2      LEU  73  -1.543  -8.017  13.452
  591   3HD2  LEU  73          3HD2      LEU  73  -3.058  -8.897  13.247
  592    H    GLU  74           HN       GLU  74  -2.435  -2.920  14.226
  593    HA   GLU  74           HA       GLU  74  -3.093  -1.291  12.029
  594   1HB   GLU  74          2HB       GLU  74  -1.638  -0.597  14.603
  595   2HB   GLU  74          1HB       GLU  74  -2.494   0.554  13.577
  596   1HG   GLU  74          2HG       GLU  74  -3.741  -1.837  14.966
  597   2HG   GLU  74          1HG       GLU  74  -3.913  -0.154  15.464
  598    H    GLU  75           HN       GLU  75   0.140  -1.674  13.561
  599    HA   GLU  75           HA       GLU  75   1.602   0.060  11.887
  600   1HB   GLU  75          2HB       GLU  75   2.306  -2.562  13.236
  601   2HB   GLU  75          1HB       GLU  75   3.507  -1.480  12.532
  602   1HG   GLU  75          2HG       GLU  75   2.711   0.344  14.014
  603   2HG   GLU  75          1HG       GLU  75   1.548  -0.767  14.737
  604    H    ILE  76           HN       ILE  76   1.121  -3.472  11.458
  605    HA   ILE  76           HA       ILE  76   2.449  -3.652   8.930
  606    HB   ILE  76           HB       ILE  76   0.168  -5.285  10.093
  607   1HG1  ILE  76          2HG1      ILE  76   1.921  -5.184  11.725
  608   2HG1  ILE  76          1HG1      ILE  76   2.117  -6.726  10.891
  609   1HG2  ILE  76          2HG2      ILE  76   0.952  -5.554   7.607
  610   2HG2  ILE  76          1HG2      ILE  76   2.373  -6.313   8.322
  611   3HG2  ILE  76          3HG2      ILE  76   0.772  -6.994   8.607
  612   1HD1  ILE  76          3HD1      ILE  76   3.715  -5.425   9.312
  613   2HD1  ILE  76          2HD1      ILE  76   3.737  -4.201  10.582
  614   3HD1  ILE  76          1HD1      ILE  76   4.304  -5.835  10.923
  615    H    ALA  77           HN       ALA  77  -0.901  -2.912   9.818
  616    HA   ALA  77           HA       ALA  77  -2.132  -3.074   7.267
  617   1HB   ALA  77          1HB       ALA  77  -2.875  -2.464   9.801
  618   2HB   ALA  77          2HB       ALA  77  -3.886  -2.107   8.400
  619   3HB   ALA  77          3HB       ALA  77  -2.868  -0.847   9.098
  620    H    GLU  78           HN       GLU  78  -0.221  -0.481   8.758
  621    HA   GLU  78           HA       GLU  78  -0.693   1.560   6.816
  622   1HB   GLU  78          2HB       GLU  78   0.356   1.820   9.062
  623   2HB   GLU  78          1HB       GLU  78   1.776   0.953   8.478
  624   1HG   GLU  78          2HG       GLU  78   2.046   2.696   6.700
  625   2HG   GLU  78          1HG       GLU  78   0.707   3.588   7.420
  626    H    ASP  79           HN       ASP  79   1.701  -1.079   6.937
  627    HA   ASP  79           HA       ASP  79   1.957  -1.325   4.114
  628   1HB   ASP  79          2HB       ASP  79   3.384   0.880   5.409
  629   2HB   ASP  79          1HB       ASP  79   4.463  -0.172   4.493
  630    HA   PRO  80           HA       PRO  80   3.752  -4.725   6.612
  631   1HB   PRO  80          2HB       PRO  80   3.266  -6.358   4.292
  632   2HB   PRO  80          1HB       PRO  80   2.416  -6.382   5.839
  633   1HG   PRO  80          2HG       PRO  80   1.471  -5.389   3.309
  634   2HG   PRO  80          1HG       PRO  80   0.608  -5.439   4.848
  635   1HD   PRO  80          2HD       PRO  80   1.653  -3.124   3.492
  636   2HD   PRO  80          1HD       PRO  80   0.827  -3.180   5.067
  637    H    GLY  81           HN       GLY  81   5.794  -3.400   6.151
  638   1HA   GLY  81          1HA       GLY  81   8.049  -3.552   5.461
  639   2HA   GLY  81          2HA       GLY  81   7.331  -3.367   3.861
  640    H    THR  82           HN       THR  82   8.100  -5.845   6.314
  641    HA   THR  82           HA       THR  82   9.259  -7.617   4.342
  642    HB   THR  82           HB       THR  82   9.499  -9.091   6.288
  643    HG1  THR  82          1HG       THR  82   7.798  -7.231   7.587
  644   1HG2  THR  82          1HG2      THR  82  10.349  -6.375   6.152
  645   2HG2  THR  82          3HG2      THR  82   9.977  -6.734   7.838
  646   3HG2  THR  82          2HG2      THR  82  11.146  -7.723   6.963
  647    H    CYS  83           HN       CYS  83   6.346  -8.005   6.404
  648    HA   CYS  83           HA       CYS  83   5.241 -10.330   5.466
  649   1HB   CYS  83          2HB       CYS  83   4.311  -8.646   7.117
  650   2HB   CYS  83          1HB       CYS  83   3.722  -7.720   5.738
  651    H    GLU  84           HN       GLU  84   4.824  -7.159   3.838
  652    HA   GLU  84           HA       GLU  84   3.351  -8.082   1.594
  653   1HB   GLU  84          2HB       GLU  84   3.795  -5.720   2.377
  654   2HB   GLU  84          1HB       GLU  84   5.413  -5.861   1.688
  655   1HG   GLU  84          2HG       GLU  84   4.399  -6.366  -0.527
  656   2HG   GLU  84          1HG       GLU  84   2.797  -6.147   0.176
  657    H    ILE  85           HN       ILE  85   6.894  -7.793   2.033
  658    HA   ILE  85           HA       ILE  85   7.365  -8.961  -0.641
  659    HB   ILE  85           HB       ILE  85   9.690  -8.429  -0.124
  660   1HG1  ILE  85          2HG1      ILE  85   8.619  -8.021   2.677
  661   2HG1  ILE  85          1HG1      ILE  85   9.845  -9.178   2.162
  662   1HG2  ILE  85          2HG2      ILE  85   7.580  -6.577  -0.166
  663   2HG2  ILE  85          1HG2      ILE  85   8.625  -6.049   1.154
  664   3HG2  ILE  85          3HG2      ILE  85   9.284  -6.238  -0.470
  665   1HD1  ILE  85          1HD1      ILE  85  10.798  -6.696   1.282
  666   2HD1  ILE  85          3HD1      ILE  85  10.141  -6.374   2.887
  667   3HD1  ILE  85          2HD1      ILE  85  11.384  -7.607   2.674
  668    H    CYS  86           HN       CYS  86   6.222 -10.430   1.886
  669    HA   CYS  86           HA       CYS  86   6.372 -12.622   2.756
  670   1HB   CYS  86          2HB       CYS  86   8.250 -13.092   0.433
  671   2HB   CYS  86          1HB       CYS  86   7.121 -14.232   1.163
  672    H    ALA  87           HN       ALA  87   8.690 -10.469   3.096
  673    HA   ALA  87           HA       ALA  87  11.114 -11.935   3.560
  674   1HB   ALA  87          1HB       ALA  87  11.132  -9.765   5.274
  675   2HB   ALA  87          2HB       ALA  87   9.943  -9.284   4.063
  676   3HB   ALA  87          3HB       ALA  87  11.583  -9.708   3.570
  677    H    TYR  88           HN       TYR  88   8.158 -11.684   5.365
  678    HA   TYR  88           HA       TYR  88   9.426 -13.234   7.592
  679   1HB   TYR  88          2HB       TYR  88   8.025 -10.627   7.576
  680   2HB   TYR  88          1HB       TYR  88   7.512 -11.739   8.845
  681    HD1  TYR  88           HD1      TYR  88  10.594 -10.320   7.259
  682    HD2  TYR  88           HD2      TYR  88   8.793 -11.955  10.800
  683    HE1  TYR  88           HE1      TYR  88  12.651  -9.802   8.545
  684    HE2  TYR  88           HE2      TYR  88  10.850 -11.436  12.086
  685    HH   TYR  88           HH       TYR  88  12.894 -10.587  12.018
  686    H    ALA  89           HN       ALA  89   7.743 -14.418   8.885
  687    HA   ALA  89           HA       ALA  89   5.869 -15.797   7.142
  688   1HB   ALA  89          2HB       ALA  89   7.272 -16.426   9.348
  689   2HB   ALA  89          1HB       ALA  89   5.744 -16.000  10.117
  690   3HB   ALA  89          3HB       ALA  89   5.796 -17.283   8.909
  691    H    ALA  90           HN       ALA  90   5.616 -12.781   8.399
  692    HA   ALA  90           HA       ALA  90   3.023 -12.786   9.663
  693   1HB   ALA  90          2HB       ALA  90   5.067 -11.051   9.422
  694   2HB   ALA  90          3HB       ALA  90   3.427 -10.521   9.802
  695   3HB   ALA  90          1HB       ALA  90   4.024 -10.424   8.145
  696    H    CYS  91           HN       CYS  91   4.106 -12.545   6.303
  697    HA   CYS  91           HA       CYS  91   1.268 -12.161   5.435
  698   1HB   CYS  91          2HB       CYS  91   3.905 -11.239   4.592
  699   2HB   CYS  91          1HB       CYS  91   2.966 -11.888   3.248
  700    H    THR  92           HN       THR  92   0.261 -13.958   4.646
  701    HA   THR  92           HA       THR  92   1.952 -16.222   3.647
  702    HB   THR  92           HB       THR  92   0.066 -17.610   4.331
  703    HG1  THR  92          1HG       THR  92  -1.214 -15.204   5.094
  704   1HG2  THR  92          2HG2      THR  92   1.728 -16.466   6.035
  705   2HG2  THR  92          1HG2      THR  92   0.272 -15.631   6.572
  706   3HG2  THR  92          3HG2      THR  92   0.349 -17.392   6.627
  707    H    GLY  93           HN       GLY  93   0.960 -17.458   1.804
  708   1HA   GLY  93          1HA       GLY  93  -0.972 -15.918   0.163
  709   2HA   GLY  93          2HA       GLY  93  -0.481 -17.588  -0.124
  710    H    CYS  94           HN       CYS  94   2.257 -15.830   0.589
  711    HA   CYS  94           HA       CYS  94   2.757 -14.541  -1.963
  712   1HB   CYS  94          2HB       CYS  94   4.070 -15.044   0.619
  713   2HB   CYS  94          1HB       CYS  94   5.194 -15.000  -0.739

  No H/Q in entry =         713
  Start of MODEL   16
    1    H1   VAL   1          2H        VAL   1  -2.751 -11.822  -0.326
    2    H2   VAL   1          1H        VAL   1  -1.439 -12.477  -1.185
    3    H3   VAL   1          3H        VAL   1  -2.285 -13.436  -0.069
    4    HA   VAL   1           HA       VAL   1  -0.438 -12.869   1.173
    5    HB   VAL   1           HB       VAL   1   0.432 -10.454   0.905
    6   1HG1  VAL   1          1HG1      VAL   1   1.270 -12.625  -0.241
    7   2HG1  VAL   1          3HG1      VAL   1   0.449 -12.011  -1.677
    8   3HG1  VAL   1          2HG1      VAL   1   1.757 -11.082  -0.944
    9   1HG2  VAL   1          1HG2      VAL   1  -1.964 -10.122  -0.421
   10   2HG2  VAL   1          3HG2      VAL   1  -0.577  -9.040  -0.556
   11   3HG2  VAL   1          2HG2      VAL   1  -0.821 -10.313  -1.751
   12    H    THR   2           HN       THR   2  -1.689 -13.023   3.064
   13    HA   THR   2           HA       THR   2  -3.109 -10.520   3.925
   14    HB   THR   2           HB       THR   2  -3.700 -13.407   4.640
   15    HG1  THR   2          1HG       THR   2  -5.284 -13.290   3.109
   16   1HG2  THR   2          2HG2      THR   2  -4.782 -10.773   5.432
   17   2HG2  THR   2          1HG2      THR   2  -5.991 -11.988   5.016
   18   3HG2  THR   2          3HG2      THR   2  -4.819 -12.312   6.292
   19    H    VAL   3           HN       VAL   3  -2.850  -9.917   6.132
   20    HA   VAL   3           HA       VAL   3  -0.381 -10.906   7.416
   21    HB   VAL   3           HB       VAL   3  -2.410  -8.753   8.105
   22   1HG1  VAL   3          3HG1      VAL   3   0.291  -9.433   9.300
   23   2HG1  VAL   3          2HG1      VAL   3  -0.558  -7.916   9.595
   24   3HG1  VAL   3          1HG1      VAL   3  -1.267  -9.440  10.126
   25   1HG2  VAL   3          1HG2      VAL   3  -0.815  -8.696   5.982
   26   2HG2  VAL   3          3HG2      VAL   3  -1.049  -7.253   6.969
   27   3HG2  VAL   3          2HG2      VAL   3   0.395  -8.242   7.183
   28    H    GLN   4           HN       GLN   4  -0.522 -12.652   8.786
   29    HA   GLN   4           HA       GLN   4  -3.121 -13.123  10.201
   30   1HB   GLN   4          2HB       GLN   4  -2.438 -15.461  10.188
   31   2HB   GLN   4          1HB       GLN   4  -2.252 -14.811   8.558
   32   1HG   GLN   4          2HG       GLN   4   0.124 -14.558   8.847
   33   2HG   GLN   4          1HG       GLN   4   0.010 -14.909  10.571
   34   1HE2  GLN   4          1HE2      GLN   4   1.712 -16.488   8.958
   35   2HE2  GLN   4          2HE2      GLN   4   1.055 -18.047   8.808
   36    H    ASP   5           HN       ASP   5  -3.090 -13.555  12.433
   37    HA   ASP   5           HA       ASP   5  -0.537 -12.864  13.849
   38   1HB   ASP   5          2HB       ASP   5  -3.472 -12.585  14.566
   39   2HB   ASP   5          1HB       ASP   5  -2.159 -12.241  15.692
   40    H    GLY   6           HN       GLY   6  -2.008 -15.530  12.879
   41   1HA   GLY   6          1HA       GLY   6  -2.541 -17.034  15.264
   42   2HA   GLY   6          2HA       GLY   6  -0.872 -17.297  14.755
   43    H    ASN   7           HN       ASN   7  -3.704 -18.780  14.584
   44    HA   ASN   7           HA       ASN   7  -3.010 -20.225  12.121
   45   1HB   ASN   7          2HB       ASN   7  -5.255 -20.461  14.151
   46   2HB   ASN   7          1HB       ASN   7  -4.944 -21.629  12.867
   47   1HD2  ASN   7          1HD2      ASN   7  -4.789 -22.456  15.576
   48   2HD2  ASN   7          2HD2      ASN   7  -3.169 -22.780  15.965
   49    H    PHE   8           HN       PHE   8  -4.517 -17.351  12.562
   50    HA   PHE   8           HA       PHE   8  -6.426 -17.828  10.295
   51   1HB   PHE   8          2HB       PHE   8  -6.655 -15.978  12.692
   52   2HB   PHE   8          1HB       PHE   8  -7.848 -16.123  11.402
   53    HD1  PHE   8           HD1      PHE   8  -6.283 -17.818  14.284
   54    HD2  PHE   8           HD2      PHE   8  -9.277 -18.082  11.215
   55    HE1  PHE   8           HE1      PHE   8  -7.305 -19.755  15.448
   56    HE2  PHE   8           HE2      PHE   8 -10.299 -20.019  12.378
   57    HZ   PHE   8           HZ       PHE   8  -9.314 -20.855  14.495
   58    H    SER   9           HN       SER   9  -6.467 -16.185   8.693
   59    HA   SER   9           HA       SER   9  -4.147 -14.311   8.756
   60   1HB   SER   9          2HB       SER   9  -4.484 -14.283   6.328
   61   2HB   SER   9          1HB       SER   9  -4.459 -15.952   6.897
   62    HG   SER   9           HG       SER   9  -6.561 -14.426   5.912
   63    H    PHE  10           HN       PHE  10  -4.481 -12.096   8.786
   64    HA   PHE  10           HA       PHE  10  -7.323 -11.138   8.633
   65   1HB   PHE  10          2HB       PHE  10  -4.981 -10.156  10.297
   66   2HB   PHE  10          1HB       PHE  10  -6.605  -9.468  10.319
   67    HD1  PHE  10           HD1      PHE  10  -8.128 -12.101  10.015
   68    HD2  PHE  10           HD2      PHE  10  -4.878 -10.934  12.570
   69    HE1  PHE  10           HE1      PHE  10  -8.829 -13.798  11.682
   70    HE2  PHE  10           HE2      PHE  10  -5.578 -12.632  14.235
   71    HZ   PHE  10           HZ       PHE  10  -7.554 -14.063  13.793
   72    H    SER  11           HN       SER  11  -7.692  -9.540   7.129
   73    HA   SER  11           HA       SER  11  -5.606  -8.701   5.308
   74   1HB   SER  11          2HB       SER  11  -8.031  -9.006   4.787
   75   2HB   SER  11          1HB       SER  11  -8.396  -7.608   5.798
   76    HG   SER  11           HG       SER  11  -7.580  -7.675   3.255
   77    H    LEU  12           HN       LEU  12  -5.149  -6.324   4.911
   78    HA   LEU  12           HA       LEU  12  -4.613  -4.965   7.503
   79   1HB   LEU  12          2HB       LEU  12  -3.669  -4.523   4.651
   80   2HB   LEU  12          1HB       LEU  12  -3.086  -3.620   6.048
   81    HG   LEU  12           HG       LEU  12  -2.481  -5.898   7.068
   82   1HD1  LEU  12          1HD1      LEU  12  -3.317  -6.652   4.292
   83   2HD1  LEU  12          3HD1      LEU  12  -1.965  -7.515   5.024
   84   3HD1  LEU  12          2HD1      LEU  12  -3.547  -7.528   5.805
   85   1HD2  LEU  12          3HD2      LEU  12  -1.051  -4.144   5.538
   86   2HD2  LEU  12          2HD2      LEU  12  -0.354  -5.562   6.321
   87   3HD2  LEU  12          1HD2      LEU  12  -0.835  -5.637   4.626
   88    H    GLU  13           HN       GLU  13  -6.863  -4.864   4.958
   89    HA   GLU  13           HA       GLU  13  -7.317  -2.035   4.720
   90   1HB   GLU  13          2HB       GLU  13  -8.048  -3.842   3.149
   91   2HB   GLU  13          1HB       GLU  13  -9.223  -4.367   4.354
   92   1HG   GLU  13          2HG       GLU  13 -10.230  -2.080   4.307
   93   2HG   GLU  13          1HG       GLU  13  -9.109  -1.647   3.015
   94    H    SER  14           HN       SER  14  -9.602  -4.356   6.207
   95    HA   SER  14           HA       SER  14 -11.156  -2.571   7.660
   96   1HB   SER  14          2HB       SER  14 -10.189  -5.235   8.725
   97   2HB   SER  14          1HB       SER  14 -11.765  -4.483   8.971
   98    HG   SER  14           HG       SER  14 -12.366  -5.480   7.247
   99    H    VAL  15           HN       VAL  15  -8.111  -4.098   8.794
  100    HA   VAL  15           HA       VAL  15  -8.078  -2.850  11.367
  101    HB   VAL  15           HB       VAL  15  -5.968  -3.962   9.504
  102   1HG1  VAL  15          1HG1      VAL  15  -4.953  -2.283  11.033
  103   2HG1  VAL  15          3HG1      VAL  15  -5.654  -3.135  12.408
  104   3HG1  VAL  15          2HG1      VAL  15  -4.427  -3.922  11.416
  105   1HG2  VAL  15          2HG2      VAL  15  -7.783  -4.978  11.608
  106   2HG2  VAL  15          1HG2      VAL  15  -7.044  -5.830  10.249
  107   3HG2  VAL  15          3HG2      VAL  15  -6.118  -5.554  11.725
  108    H    LYS  16           HN       LYS  16  -6.384  -1.928   8.331
  109    HA   LYS  16           HA       LYS  16  -5.189   0.463   9.253
  110   1HB   LYS  16          2HB       LYS  16  -4.775  -0.592   7.063
  111   2HB   LYS  16          1HB       LYS  16  -6.425  -0.220   6.561
  112   1HG   LYS  16          2HG       LYS  16  -5.903   2.220   6.943
  113   2HG   LYS  16          1HG       LYS  16  -4.222   1.759   7.208
  114   1HD   LYS  16          2HD       LYS  16  -4.133   0.765   4.954
  115   2HD   LYS  16          1HD       LYS  16  -5.820   1.205   4.687
  116   1HE   LYS  16          2HE       LYS  16  -5.324   3.444   4.396
  117   2HE   LYS  16          1HE       LYS  16  -3.958   3.392   5.527
  118   1HZ   LYS  16          3HZ       LYS  16  -3.962   1.934   2.941
  119   2HZ   LYS  16          2HZ       LYS  16  -3.359   3.516   3.089
  120   3HZ   LYS  16          1HZ       LYS  16  -2.640   2.245   3.958
  121    H    LYS  17           HN       LYS  17  -8.371   0.034   7.669
  122    HA   LYS  17           HA       LYS  17  -9.193   2.783   8.256
  123   1HB   LYS  17          2HB       LYS  17  -9.831   1.376   6.245
  124   2HB   LYS  17          1HB       LYS  17 -10.816   0.391   7.328
  125   1HG   LYS  17          2HG       LYS  17 -12.084   2.424   7.988
  126   2HG   LYS  17          1HG       LYS  17 -11.128   3.370   6.848
  127   1HD   LYS  17          2HD       LYS  17 -11.913   1.797   5.028
  128   2HD   LYS  17          1HD       LYS  17 -13.021   1.094   6.207
  129   1HE   LYS  17          2HE       LYS  17 -14.448   2.718   5.409
  130   2HE   LYS  17          1HE       LYS  17 -13.555   3.761   6.531
  131   1HZ   LYS  17          2HZ       LYS  17 -11.908   4.089   4.702
  132   2HZ   LYS  17          1HZ       LYS  17 -12.979   3.291   3.651
  133   3HZ   LYS  17          3HZ       LYS  17 -13.438   4.755   4.376
  134    H    LEU  18           HN       LEU  18  -8.750   0.254  10.280
  135    HA   LEU  18           HA       LEU  18 -11.200  -0.088  11.691
  136   1HB   LEU  18          2HB       LEU  18  -9.110  -1.451  11.833
  137   2HB   LEU  18          1HB       LEU  18  -8.325  -0.113  12.672
  138    HG   LEU  18           HG       LEU  18  -9.817  -0.300  14.542
  139   1HD1  LEU  18          1HD1      LEU  18 -11.340  -2.291  12.832
  140   2HD1  LEU  18          3HD1      LEU  18 -11.689  -1.946  14.527
  141   3HD1  LEU  18          2HD1      LEU  18 -11.895  -0.686  13.310
  142   1HD2  LEU  18          3HD2      LEU  18  -7.971  -2.076  14.189
  143   2HD2  LEU  18          2HD2      LEU  18  -9.230  -2.447  15.369
  144   3HD2  LEU  18          1HD2      LEU  18  -9.287  -3.171  13.762
  145    H    LYS  19           HN       LYS  19  -8.614   2.347  12.000
  146    HA   LYS  19           HA       LYS  19  -9.540   3.581  14.413
  147   1HB   LYS  19          2HB       LYS  19  -8.051   4.684  12.006
  148   2HB   LYS  19          1HB       LYS  19  -8.131   5.463  13.586
  149   1HG   LYS  19          2HG       LYS  19  -7.084   3.455  14.606
  150   2HG   LYS  19          1HG       LYS  19  -6.961   2.724  13.006
  151   1HD   LYS  19          2HD       LYS  19  -5.591   4.686  12.270
  152   2HD   LYS  19          1HD       LYS  19  -5.633   5.291  13.926
  153   1HE   LYS  19          2HE       LYS  19  -3.628   4.089  13.967
  154   2HE   LYS  19          1HE       LYS  19  -4.760   2.817  14.464
  155   1HZ   LYS  19          2HZ       LYS  19  -5.053   2.651  11.857
  156   2HZ   LYS  19          1HZ       LYS  19  -3.465   3.253  11.872
  157   3HZ   LYS  19          3HZ       LYS  19  -3.825   1.798  12.664
  158    H    ASP  20           HN       ASP  20 -10.375   4.099  10.997
  159    HA   ASP  20           HA       ASP  20 -12.466   6.067  11.862
  160   1HB   ASP  20          2HB       ASP  20 -10.989   5.628   9.247
  161   2HB   ASP  20          1HB       ASP  20 -12.273   6.817   9.468
  162    H    LEU  21           HN       LEU  21 -14.266   4.727  12.182
  163    HA   LEU  21           HA       LEU  21 -14.977   2.830   9.975
  164   1HB   LEU  21          2HB       LEU  21 -14.630   1.955  12.291
  165   2HB   LEU  21          1HB       LEU  21 -15.933   3.002  12.852
  166    HG   LEU  21           HG       LEU  21 -17.437   1.873  11.155
  167   1HD1  LEU  21          3HD1      LEU  21 -15.310   0.998   9.909
  168   2HD1  LEU  21          2HD1      LEU  21 -15.368  -0.313  11.088
  169   3HD1  LEU  21          1HD1      LEU  21 -16.731  -0.043  10.001
  170   1HD2  LEU  21          3HD2      LEU  21 -16.765   1.140  13.720
  171   2HD2  LEU  21          2HD2      LEU  21 -18.087   0.435  12.792
  172   3HD2  LEU  21          1HD2      LEU  21 -16.516  -0.365  12.836
  173    H    GLN  22           HN       GLN  22 -16.752   3.339   8.745
  174    HA   GLN  22           HA       GLN  22 -18.635   5.428   9.798
  175   1HB   GLN  22          2HB       GLN  22 -17.602   4.889   6.994
  176   2HB   GLN  22          1HB       GLN  22 -18.826   6.095   7.389
  177   1HG   GLN  22          2HG       GLN  22 -17.232   7.246   8.868
  178   2HG   GLN  22          1HG       GLN  22 -16.009   6.027   8.514
  179   1HE2  GLN  22          1HE2      GLN  22 -15.469   8.732   7.894
  180   2HE2  GLN  22          2HE2      GLN  22 -15.463   8.931   6.208
  181    H    GLU  23           HN       GLU  23 -20.863   5.216   8.932
  182    HA   GLU  23           HA       GLU  23 -22.115   2.780   9.266
  183   1HB   GLU  23          2HB       GLU  23 -22.701   5.361   8.232
  184   2HB   GLU  23          1HB       GLU  23 -23.365   4.190   7.090
  185   1HG   GLU  23          2HG       GLU  23 -24.958   4.801   8.935
  186   2HG   GLU  23          1HG       GLU  23 -24.594   3.077   8.866
  187    HA   PRO  24           HA       PRO  24 -21.728   1.876   4.494
  188   1HB   PRO  24          2HB       PRO  24 -19.398   3.307   3.596
  189   2HB   PRO  24          1HB       PRO  24 -21.066   3.492   3.051
  190   1HG   PRO  24          2HG       PRO  24 -19.527   5.296   4.673
  191   2HG   PRO  24          1HG       PRO  24 -21.193   5.484   4.123
  192   1HD   PRO  24          2HD       PRO  24 -20.269   4.921   6.793
  193   2HD   PRO  24          1HD       PRO  24 -21.948   5.094   6.237
  194    H    GLN  25           HN       GLN  25 -20.142   0.376   3.459
  195    HA   GLN  25           HA       GLN  25 -18.649  -1.175   5.304
  196   1HB   GLN  25          2HB       GLN  25 -18.436  -0.857   2.291
  197   2HB   GLN  25          1HB       GLN  25 -17.756  -2.203   3.207
  198   1HG   GLN  25          2HG       GLN  25 -20.005  -2.800   4.016
  199   2HG   GLN  25          1HG       GLN  25 -20.693  -1.442   3.124
  200   1HE2  GLN  25          1HE2      GLN  25 -21.541  -4.095   2.547
  201   2HE2  GLN  25          2HE2      GLN  25 -20.977  -4.529   1.005
  202    H    GLU  26           HN       GLU  26 -16.156  -1.507   3.850
  203    HA   GLU  26           HA       GLU  26 -14.754   1.014   4.677
  204   1HB   GLU  26          2HB       GLU  26 -12.848  -0.578   5.111
  205   2HB   GLU  26          1HB       GLU  26 -14.270  -0.896   6.104
  206   1HG   GLU  26          2HG       GLU  26 -14.359  -2.293   3.533
  207   2HG   GLU  26          1HG       GLU  26 -12.964  -2.756   4.508
  208    HA   PRO  27           HA       PRO  27 -14.238   0.506   0.077
  209   1HB   PRO  27          2HB       PRO  27 -14.085   3.378   0.020
  210   2HB   PRO  27          1HB       PRO  27 -15.366   2.345  -0.618
  211   1HG   PRO  27          2HG       PRO  27 -15.458   4.043   1.695
  212   2HG   PRO  27          1HG       PRO  27 -16.736   3.003   1.064
  213   1HD   PRO  27          2HD       PRO  27 -15.153   2.622   3.451
  214   2HD   PRO  27          1HD       PRO  27 -16.453   1.582   2.823
  215    H    ARG  28           HN       ARG  28 -12.267   0.982  -1.129
  216    HA   ARG  28           HA       ARG  28 -10.042   2.173   0.486
  217   1HB   ARG  28          2HB       ARG  28  -8.640   0.291  -0.211
  218   2HB   ARG  28          1HB       ARG  28 -10.094  -0.327   0.571
  219   1HG   ARG  28          2HG       ARG  28 -11.121  -0.527  -1.743
  220   2HG   ARG  28          1HG       ARG  28  -9.522  -0.176  -2.399
  221   1HD   ARG  28          2HD       ARG  28  -8.612  -2.132  -1.123
  222   2HD   ARG  28          1HD       ARG  28 -10.264  -2.515  -0.603
  223    HE   ARG  28           HE       ARG  28  -9.280  -2.601  -3.422
  224   1HH1  ARG  28          1HH1      ARG  28 -12.168  -1.767  -3.162
  225   2HH1  ARG  28          2HH1      ARG  28 -12.984  -3.293  -3.256
  226   1HH2  ARG  28          1HH2      ARG  28 -10.129  -5.159  -2.630
  227   2HH2  ARG  28          2HH2      ARG  28 -11.830  -5.213  -2.956
  228    H    VAL  29           HN       VAL  29  -8.378   3.152  -0.806
  229    HA   VAL  29           HA       VAL  29  -9.074   3.503  -3.705
  230    HB   VAL  29           HB       VAL  29  -7.893   5.511  -1.757
  231   1HG1  VAL  29          2HG1      VAL  29  -8.322   5.443  -4.667
  232   2HG1  VAL  29          1HG1      VAL  29  -8.995   6.874  -3.884
  233   3HG1  VAL  29          3HG1      VAL  29  -7.281   6.496  -3.709
  234   1HG2  VAL  29          1HG2      VAL  29 -10.294   4.828  -1.317
  235   2HG2  VAL  29          3HG2      VAL  29 -10.073   6.538  -1.695
  236   3HG2  VAL  29          2HG2      VAL  29 -10.687   5.434  -2.926
  237    H    GLY  30           HN       GLY  30  -7.365   3.177  -5.114
  238   1HA   GLY  30          1HA       GLY  30  -4.590   3.326  -4.121
  239   2HA   GLY  30          2HA       GLY  30  -5.075   3.107  -5.803
  240    H    LYS  31           HN       LYS  31  -3.908   1.232  -6.261
  241    HA   LYS  31           HA       LYS  31  -5.008  -1.298  -5.521
  242   1HB   LYS  31          2HB       LYS  31  -2.317  -0.467  -6.650
  243   2HB   LYS  31          1HB       LYS  31  -2.912  -2.127  -6.631
  244   1HG   LYS  31          2HG       LYS  31  -4.909  -1.381  -7.934
  245   2HG   LYS  31          1HG       LYS  31  -4.206   0.233  -8.030
  246   1HD   LYS  31          2HD       LYS  31  -2.184  -0.777  -9.119
  247   2HD   LYS  31          1HD       LYS  31  -3.021  -2.328  -9.140
  248   1HE   LYS  31          2HE       LYS  31  -4.818  -1.361 -10.525
  249   2HE   LYS  31          1HE       LYS  31  -4.008   0.218 -10.481
  250   1HZ   LYS  31          3HZ       LYS  31  -2.011  -0.887 -11.389
  251   2HZ   LYS  31          2HZ       LYS  31  -2.898  -2.327 -11.552
  252   3HZ   LYS  31          1HZ       LYS  31  -3.326  -0.954 -12.457
  253    H    LEU  32           HN       LEU  32  -2.320   0.591  -4.184
  254    HA   LEU  32           HA       LEU  32  -1.697  -1.595  -2.257
  255   1HB   LEU  32          2HB       LEU  32  -0.359   1.075  -2.807
  256   2HB   LEU  32          1HB       LEU  32   0.308  -0.244  -1.846
  257    HG   LEU  32           HG       LEU  32  -0.528  -1.177  -4.469
  258   1HD1  LEU  32          3HD1      LEU  32   0.436   1.425  -4.540
  259   2HD1  LEU  32          2HD1      LEU  32   1.876   0.454  -4.842
  260   3HD1  LEU  32          1HD1      LEU  32   0.465   0.284  -5.886
  261   1HD2  LEU  32          1HD2      LEU  32   2.130  -1.063  -3.010
  262   2HD2  LEU  32          3HD2      LEU  32   0.983  -2.402  -2.985
  263   3HD2  LEU  32          2HD2      LEU  32   1.828  -1.993  -4.479
  264    H    ARG  33           HN       ARG  33  -1.978  -1.305  -0.020
  265    HA   ARG  33           HA       ARG  33  -3.636   1.051   0.784
  266   1HB   ARG  33          2HB       ARG  33  -3.165  -1.663   2.068
  267   2HB   ARG  33          1HB       ARG  33  -4.310  -0.449   2.638
  268   1HG   ARG  33          2HG       ARG  33  -5.505  -0.575   0.471
  269   2HG   ARG  33          1HG       ARG  33  -4.372  -1.814  -0.071
  270   1HD   ARG  33          2HD       ARG  33  -5.072  -3.178   1.973
  271   2HD   ARG  33          1HD       ARG  33  -6.386  -2.007   2.189
  272    HE   ARG  33           HE       ARG  33  -7.343  -2.758   0.109
  273   1HH1  ARG  33          1HH1      ARG  33  -5.493  -5.102   1.471
  274   2HH1  ARG  33          2HH1      ARG  33  -5.109  -5.947   0.008
  275   1HH2  ARG  33          1HH2      ARG  33  -6.344  -3.457  -2.065
  276   2HH2  ARG  33          2HH2      ARG  33  -5.590  -5.015  -1.994
  277    H    ASN  34           HN       ASN  34  -2.088   2.614   1.374
  278    HA   ASN  34           HA       ASN  34  -0.307   1.863   3.656
  279   1HB   ASN  34          2HB       ASN  34   1.553   2.920   2.570
  280   2HB   ASN  34          1HB       ASN  34   0.808   1.881   1.357
  281   1HD2  ASN  34          1HD2      ASN  34   2.366   4.166   0.601
  282   2HD2  ASN  34          2HD2      ASN  34   1.332   5.309  -0.111
  283    H    PHE  35           HN       PHE  35   0.246   3.690   5.028
  284    HA   PHE  35           HA       PHE  35  -0.642   6.380   4.560
  285   1HB   PHE  35          2HB       PHE  35  -2.828   5.164   4.667
  286   2HB   PHE  35          1HB       PHE  35  -2.430   4.658   6.307
  287    HD1  PHE  35           HD1      PHE  35  -3.177   7.570   4.142
  288    HD2  PHE  35           HD2      PHE  35  -2.550   6.194   8.162
  289    HE1  PHE  35           HE1      PHE  35  -4.027   9.731   5.014
  290    HE2  PHE  35           HE2      PHE  35  -3.400   8.355   9.033
  291    HZ   PHE  35           HZ       PHE  35  -4.137  10.123   7.460
  292    H    ALA  36           HN       ALA  36  -0.331   7.730   6.514
  293    HA   ALA  36           HA       ALA  36   1.932   7.099   8.069
  294   1HB   ALA  36          3HB       ALA  36   0.036   8.808   9.457
  295   2HB   ALA  36          2HB       ALA  36   1.559   9.244   8.683
  296   3HB   ALA  36          1HB       ALA  36   0.074   9.184   7.735
  297    HA   PRO  37           HA       PRO  37  -0.216   4.093  10.693
  298   1HB   PRO  37          2HB       PRO  37   2.395   3.191  11.498
  299   2HB   PRO  37          1HB       PRO  37   1.271   2.395  10.392
  300   1HG   PRO  37          2HG       PRO  37   3.741   3.538   9.691
  301   2HG   PRO  37          1HG       PRO  37   2.462   3.064   8.566
  302   1HD   PRO  37          2HD       PRO  37   3.206   5.776   9.537
  303   2HD   PRO  37          1HD       PRO  37   2.401   5.311   8.016
  304    H    ILE  38           HN       ILE  38  -0.506   4.113  12.913
  305    HA   ILE  38           HA       ILE  38   1.319   5.669  14.662
  306    HB   ILE  38           HB       ILE  38  -0.899   6.797  15.504
  307   1HG1  ILE  38          2HG1      ILE  38  -2.110   5.174  13.767
  308   2HG1  ILE  38          1HG1      ILE  38  -2.738   6.784  14.107
  309   1HG2  ILE  38          1HG2      ILE  38   0.451   7.495  12.882
  310   2HG2  ILE  38          3HG2      ILE  38  -0.619   8.586  13.763
  311   3HG2  ILE  38          2HG2      ILE  38   0.902   8.064  14.488
  312   1HD1  ILE  38          2HD1      ILE  38  -0.678   6.669  11.987
  313   2HD1  ILE  38          1HD1      ILE  38  -2.199   5.869  11.598
  314   3HD1  ILE  38          3HD1      ILE  38  -2.190   7.575  12.041
  315    HA   PRO  39           HA       PRO  39  -0.673   1.718  16.333
  316   1HB   PRO  39          2HB       PRO  39   1.977   0.996  17.187
  317   2HB   PRO  39          1HB       PRO  39   0.975   0.208  15.967
  318   1HG   PRO  39          2HG       PRO  39   3.323   1.817  15.558
  319   2HG   PRO  39          1HG       PRO  39   2.330   1.014  14.339
  320   1HD   PRO  39          2HD       PRO  39   2.510   3.839  14.891
  321   2HD   PRO  39          1HD       PRO  39   1.490   3.029  13.679
  322    H    GLY  40           HN       GLY  40  -1.096   1.432  18.570
  323   1HA   GLY  40          1HA       GLY  40   0.187   3.444  20.371
  324   2HA   GLY  40          2HA       GLY  40  -0.126   1.794  20.906
  325    H    GLU  41           HN       GLU  41  -2.706   1.637  19.500
  326    HA   GLU  41           HA       GLU  41  -4.300   3.502  21.229
  327   1HB   GLU  41          2HB       GLU  41  -4.272   2.933  18.377
  328   2HB   GLU  41          1HB       GLU  41  -5.870   2.642  19.063
  329   1HG   GLU  41          2HG       GLU  41  -6.246   4.852  19.318
  330   2HG   GLU  41          1HG       GLU  41  -4.695   5.080  20.129
  331    HA   PRO  42           HA       PRO  42  -5.088  -0.948  22.418
  332   1HB   PRO  42          2HB       PRO  42  -5.379   0.061  25.097
  333   2HB   PRO  42          1HB       PRO  42  -4.103  -0.978  24.457
  334   1HG   PRO  42          2HG       PRO  42  -3.913   1.786  25.204
  335   2HG   PRO  42          1HG       PRO  42  -2.641   0.751  24.551
  336   1HD   PRO  42          2HD       PRO  42  -4.028   2.913  23.225
  337   2HD   PRO  42          1HD       PRO  42  -2.730   1.885  22.575
  338    H    VAL  43           HN       VAL  43  -7.197  -1.658  22.380
  339    HA   VAL  43           HA       VAL  43  -9.365  -0.515  23.854
  340    HB   VAL  43           HB       VAL  43  -9.021   1.379  22.355
  341   1HG1  VAL  43          2HG1      VAL  43  -8.213  -0.579  20.545
  342   2HG1  VAL  43          1HG1      VAL  43  -9.726   0.022  19.866
  343   3HG1  VAL  43          3HG1      VAL  43  -8.402   1.139  20.194
  344   1HG2  VAL  43          3HG2      VAL  43 -11.417   0.013  22.670
  345   2HG2  VAL  43          2HG2      VAL  43 -11.246   1.650  22.034
  346   3HG2  VAL  43          1HG2      VAL  43 -11.329   0.279  20.929
  347    H    VAL  44           HN       VAL  44  -9.495  -2.907  24.071
  348    HA   VAL  44           HA       VAL  44 -10.905  -4.157  21.736
  349    HB   VAL  44           HB       VAL  44  -8.743  -5.195  23.578
  350   1HG1  VAL  44          2HG1      VAL  44 -10.965  -6.641  22.368
  351   2HG1  VAL  44          1HG1      VAL  44  -9.409  -7.234  21.788
  352   3HG1  VAL  44          3HG1      VAL  44  -9.756  -7.212  23.517
  353   1HG2  VAL  44          2HG2      VAL  44  -8.685  -4.029  21.060
  354   2HG2  VAL  44          1HG2      VAL  44  -7.412  -5.032  21.754
  355   3HG2  VAL  44          3HG2      VAL  44  -8.632  -5.756  20.706
  356    HA   PRO  45           HA       PRO  45 -13.390  -4.258  25.736
  357   1HB   PRO  45          2HB       PRO  45 -15.640  -3.485  24.117
  358   2HB   PRO  45          1HB       PRO  45 -14.845  -2.555  25.390
  359   1HG   PRO  45          2HG       PRO  45 -14.761  -2.089  22.562
  360   2HG   PRO  45          1HG       PRO  45 -13.939  -1.180  23.832
  361   1HD   PRO  45          2HD       PRO  45 -12.777  -2.996  21.898
  362   2HD   PRO  45          1HD       PRO  45 -11.942  -2.037  23.143
  363    H    ILE  46           HN       ILE  46 -14.911  -5.961  26.210
  364    HA   ILE  46           HA       ILE  46 -14.793  -8.331  24.692
  365    HB   ILE  46           HB       ILE  46 -16.499  -9.098  26.192
  366   1HG1  ILE  46          2HG1      ILE  46 -17.229  -6.185  26.621
  367   2HG1  ILE  46          1HG1      ILE  46 -18.140  -7.316  25.621
  368   1HG2  ILE  46          2HG2      ILE  46 -14.312  -7.549  27.084
  369   2HG2  ILE  46          1HG2      ILE  46 -15.677  -7.093  28.105
  370   3HG2  ILE  46          3HG2      ILE  46 -15.185  -8.783  27.994
  371   1HD1  ILE  46          1HD1      ILE  46 -18.098  -8.794  27.816
  372   2HD1  ILE  46          3HD1      ILE  46 -17.840  -7.237  28.603
  373   3HD1  ILE  46          2HD1      ILE  46 -19.289  -7.506  27.633
  374    H    LEU  47           HN       LEU  47 -16.845  -5.524  24.281
  375    HA   LEU  47           HA       LEU  47 -18.582  -6.958  22.332
  376   1HB   LEU  47          2HB       LEU  47 -18.639  -4.115  23.399
  377   2HB   LEU  47          1HB       LEU  47 -19.924  -4.911  22.490
  378    HG   LEU  47           HG       LEU  47 -18.888  -5.724  25.222
  379   1HD1  LEU  47          1HD1      LEU  47 -21.390  -4.367  24.223
  380   2HD1  LEU  47          3HD1      LEU  47 -21.376  -5.244  25.752
  381   3HD1  LEU  47          2HD1      LEU  47 -20.309  -3.860  25.521
  382   1HD2  LEU  47          3HD2      LEU  47 -20.441  -7.143  23.164
  383   2HD2  LEU  47          2HD2      LEU  47 -19.597  -7.783  24.574
  384   3HD2  LEU  47          1HD2      LEU  47 -21.220  -7.115  24.745
  385    H    CYS  48           HN       CYS  48 -15.607  -5.804  22.114
  386    HA   CYS  48           HA       CYS  48 -14.309  -4.915  20.349
  387   1HB   CYS  48          2HB       CYS  48 -16.794  -6.058  19.189
  388   2HB   CYS  48          1HB       CYS  48 -15.883  -4.978  18.134
  389    H    SER  49           HN       SER  49 -13.873  -2.752  20.277
  390    HA   SER  49           HA       SER  49 -15.757  -0.686  20.782
  391   1HB   SER  49          2HB       SER  49 -13.117  -0.599  19.292
  392   2HB   SER  49          1HB       SER  49 -13.902   0.767  20.086
  393    HG   SER  49           HG       SER  49 -13.644  -0.258  22.054
  394    H    ASN  50           HN       ASN  50 -14.256  -1.607  17.663
  395    HA   ASN  50           HA       ASN  50 -16.053   0.127  16.144
  396   1HB   ASN  50          2HB       ASN  50 -13.854  -1.852  15.610
  397   2HB   ASN  50          1HB       ASN  50 -14.832  -1.253  14.271
  398   1HD2  ASN  50          1HD2      ASN  50 -13.625   0.373  13.271
  399   2HD2  ASN  50          2HD2      ASN  50 -12.815   1.620  14.090
  400    HA   PRO  51           HA       PRO  51 -19.266  -3.055  16.279
  401   1HB   PRO  51          2HB       PRO  51 -20.762  -1.379  14.481
  402   2HB   PRO  51          1HB       PRO  51 -21.032  -1.639  16.206
  403   1HG   PRO  51          2HG       PRO  51 -19.975   0.704  14.902
  404   2HG   PRO  51          1HG       PRO  51 -20.295   0.463  16.621
  405   1HD   PRO  51          2HD       PRO  51 -17.736   0.614  15.326
  406   2HD   PRO  51          1HD       PRO  51 -18.063   0.286  17.042
  407    H    ASN  52           HN       ASN  52 -17.432  -1.794  13.657
  408    HA   ASN  52           HA       ASN  52 -18.242  -4.131  11.974
  409   1HB   ASN  52          2HB       ASN  52 -19.322  -1.868  11.390
  410   2HB   ASN  52          1HB       ASN  52 -17.709  -1.356  10.896
  411   1HD2  ASN  52          1HD2      ASN  52 -17.337  -1.684   8.705
  412   2HD2  ASN  52          2HD2      ASN  52 -18.033  -2.917   7.766
  413    H    PHE  53           HN       PHE  53 -15.918  -3.947  13.639
  414    HA   PHE  53           HA       PHE  53 -13.630  -3.115  12.001
  415   1HB   PHE  53          2HB       PHE  53 -12.434  -3.545  13.957
  416   2HB   PHE  53          1HB       PHE  53 -14.043  -3.282  14.627
  417    HD1  PHE  53           HD1      PHE  53 -15.586  -5.521  14.525
  418    HD2  PHE  53           HD2      PHE  53 -11.294  -5.425  14.727
  419    HE1  PHE  53           HE1      PHE  53 -15.576  -7.817  15.460
  420    HE2  PHE  53           HE2      PHE  53 -11.287  -7.724  15.663
  421    HZ   PHE  53           HZ       PHE  53 -13.428  -8.916  16.028
  422    HA   PRO  54           HA       PRO  54 -12.517  -6.885  10.018
  423   1HB   PRO  54          2HB       PRO  54 -10.293  -7.681  11.676
  424   2HB   PRO  54          1HB       PRO  54 -10.244  -6.920  10.088
  425   1HG   PRO  54          2HG       PRO  54  -9.616  -5.748  12.636
  426   2HG   PRO  54          1HG       PRO  54  -9.566  -4.979  11.049
  427   1HD   PRO  54          2HD       PRO  54 -11.449  -4.517  13.165
  428   2HD   PRO  54          1HD       PRO  54 -11.436  -3.774  11.550
  429    H    GLU  55           HN       GLU  55 -14.588  -7.645  11.157
  430    HA   GLU  55           HA       GLU  55 -14.867  -9.042  13.511
  431   1HB   GLU  55          2HB       GLU  55 -16.590  -8.612  11.761
  432   2HB   GLU  55          1HB       GLU  55 -15.885  -9.907  10.786
  433   1HG   GLU  55          2HG       GLU  55 -16.303 -11.504  12.646
  434   2HG   GLU  55          1HG       GLU  55 -17.064 -10.207  13.567
  435    H    GLU  56           HN       GLU  56 -13.254 -10.227  10.568
  436    HA   GLU  56           HA       GLU  56 -12.930 -12.953  11.246
  437   1HB   GLU  56          2HB       GLU  56 -11.044 -10.989   9.892
  438   2HB   GLU  56          1HB       GLU  56 -10.890 -12.744   9.804
  439   1HG   GLU  56          2HG       GLU  56 -13.178 -12.860   8.816
  440   2HG   GLU  56          1HG       GLU  56 -13.244 -11.098   8.827
  441    H    LEU  57           HN       LEU  57 -11.668 -10.120  12.714
  442    HA   LEU  57           HA       LEU  57  -9.501 -11.556  14.157
  443   1HB   LEU  57          2HB       LEU  57 -10.408  -8.683  13.842
  444   2HB   LEU  57          1HB       LEU  57  -9.147  -9.144  14.987
  445    HG   LEU  57           HG       LEU  57  -7.892 -10.203  13.124
  446   1HD1  LEU  57          2HD1      LEU  57 -10.349  -9.407  11.661
  447   2HD1  LEU  57          1HD1      LEU  57  -8.823  -9.198  10.805
  448   3HD1  LEU  57          3HD1      LEU  57  -9.287 -10.788  11.407
  449   1HD2  LEU  57          1HD2      LEU  57  -8.651  -7.293  12.743
  450   2HD2  LEU  57          3HD2      LEU  57  -7.337  -7.911  13.742
  451   3HD2  LEU  57          2HD2      LEU  57  -7.257  -8.061  11.987
  452    H    LYS  58           HN       LYS  58 -12.645 -11.556  14.465
  453    HA   LYS  58           HA       LYS  58 -13.621 -10.522  16.809
  454   1HB   LYS  58          2HB       LYS  58 -14.068 -12.817  15.113
  455   2HB   LYS  58          1HB       LYS  58 -14.387 -13.242  16.795
  456   1HG   LYS  58          2HG       LYS  58 -15.433 -10.604  15.988
  457   2HG   LYS  58          1HG       LYS  58 -16.179 -11.967  15.153
  458   1HD   LYS  58          2HD       LYS  58 -15.844 -12.527  17.986
  459   2HD   LYS  58          1HD       LYS  58 -16.786 -11.057  17.734
  460   1HE   LYS  58          2HE       LYS  58 -18.580 -12.278  17.077
  461   2HE   LYS  58          1HE       LYS  58 -17.604 -13.113  15.853
  462   1HZ   LYS  58          1HZ       LYS  58 -16.606 -14.348  17.836
  463   2HZ   LYS  58          3HZ       LYS  58 -17.940 -13.785  18.718
  464   3HZ   LYS  58          2HZ       LYS  58 -18.180 -14.785  17.367
  465    HA   PRO  59           HA       PRO  59 -11.681 -14.237  19.339
  466   1HB   PRO  59          2HB       PRO  59  -9.225 -14.834  17.952
  467   2HB   PRO  59          1HB       PRO  59 -10.582 -15.914  18.282
  468   1HG   PRO  59          2HG       PRO  59  -9.826 -14.682  15.770
  469   2HG   PRO  59          1HG       PRO  59 -11.092 -15.875  16.072
  470   1HD   PRO  59          2HD       PRO  59 -11.462 -13.138  15.411
  471   2HD   PRO  59          1HD       PRO  59 -12.720 -14.272  15.953
  472    H    LEU  60           HN       LEU  60  -9.458 -12.145  17.448
  473    HA   LEU  60           HA       LEU  60  -7.613 -11.591  19.541
  474   1HB   LEU  60          2HB       LEU  60  -8.581  -9.871  17.232
  475   2HB   LEU  60          1HB       LEU  60  -7.068  -9.645  18.111
  476    HG   LEU  60           HG       LEU  60  -7.865 -11.948  16.320
  477   1HD1  LEU  60          1HD1      LEU  60  -6.037  -9.650  16.213
  478   2HD1  LEU  60          3HD1      LEU  60  -5.268 -11.177  15.782
  479   3HD1  LEU  60          2HD1      LEU  60  -6.691 -10.627  14.898
  480   1HD2  LEU  60          3HD2      LEU  60  -5.598 -11.789  18.327
  481   2HD2  LEU  60          2HD2      LEU  60  -6.923 -12.954  18.319
  482   3HD2  LEU  60          1HD2      LEU  60  -5.702 -12.998  17.046
  483    H    CYS  61           HN       CYS  61 -10.758 -10.146  18.731
  484    HA   CYS  61           HA       CYS  61 -10.583  -7.876  20.479
  485   1HB   CYS  61          2HB       CYS  61 -12.177  -8.284  18.570
  486   2HB   CYS  61          1HB       CYS  61 -13.013  -9.460  19.585
  487    H    LYS  62           HN       LYS  62 -11.326 -11.263  21.027
  488    HA   LYS  62           HA       LYS  62 -12.170 -10.642  23.833
  489   1HB   LYS  62          2HB       LYS  62 -12.441 -13.098  22.065
  490   2HB   LYS  62          1HB       LYS  62 -13.038 -12.991  23.720
  491   1HG   LYS  62          2HG       LYS  62 -14.427 -11.020  23.033
  492   2HG   LYS  62          1HG       LYS  62 -13.907 -11.284  21.369
  493   1HD   LYS  62          2HD       LYS  62 -14.835 -13.607  21.503
  494   2HD   LYS  62          1HD       LYS  62 -15.457 -13.226  23.108
  495   1HE   LYS  62          2HE       LYS  62 -16.135 -11.431  20.782
  496   2HE   LYS  62          1HE       LYS  62 -17.056 -12.922  21.055
  497   1HZ   LYS  62          3HZ       LYS  62 -16.449 -11.161  23.333
  498   2HZ   LYS  62          2HZ       LYS  62 -17.717 -10.731  22.288
  499   3HZ   LYS  62          1HZ       LYS  62 -17.759 -12.215  23.114
  500    H    GLU  63           HN       GLU  63  -9.370 -10.730  22.647
  501    HA   GLU  63           HA       GLU  63  -8.234 -13.005  24.222
  502   1HB   GLU  63          2HB       GLU  63  -7.781 -11.773  21.635
  503   2HB   GLU  63          1HB       GLU  63  -6.296 -11.771  22.584
  504   1HG   GLU  63          2HG       GLU  63  -6.952 -13.860  21.097
  505   2HG   GLU  63          1HG       GLU  63  -6.179 -14.077  22.669
  506    HA   PRO  64           HA       PRO  64  -6.656 -10.102  27.156
  507   1HB   PRO  64          2HB       PRO  64  -4.358 -11.766  27.640
  508   2HB   PRO  64          1HB       PRO  64  -5.818 -11.618  28.623
  509   1HG   PRO  64          2HG       PRO  64  -5.017 -13.837  26.993
  510   2HG   PRO  64          1HG       PRO  64  -6.490 -13.675  27.950
  511   1HD   PRO  64          2HD       PRO  64  -6.215 -13.586  25.069
  512   2HD   PRO  64          1HD       PRO  64  -7.707 -13.470  26.033
  513    H    ASN  65           HN       ASN  65  -4.631 -11.501  24.611
  514    HA   ASN  65           HA       ASN  65  -2.582  -9.394  24.850
  515   1HB   ASN  65          2HB       ASN  65  -3.068 -11.617  22.840
  516   2HB   ASN  65          1HB       ASN  65  -1.596 -10.651  22.951
  517   1HD2  ASN  65          1HD2      ASN  65  -2.181 -13.646  23.508
  518   2HD2  ASN  65          2HD2      ASN  65  -1.520 -13.904  25.050
  519    H    ALA  66           HN       ALA  66  -5.643  -9.596  23.426
  520    HA   ALA  66           HA       ALA  66  -5.518  -8.499  20.886
  521   1HB   ALA  66          2HB       ALA  66  -7.477  -9.021  22.567
  522   2HB   ALA  66          3HB       ALA  66  -7.715  -7.807  21.309
  523   3HB   ALA  66          1HB       ALA  66  -7.342  -7.307  22.959
  524    H    GLN  67           HN       GLN  67  -5.120  -6.746  23.970
  525    HA   GLN  67           HA       GLN  67  -4.955  -4.104  22.986
  526   1HB   GLN  67          2HB       GLN  67  -3.553  -5.561  25.246
  527   2HB   GLN  67          1HB       GLN  67  -3.508  -3.808  25.056
  528   1HG   GLN  67          2HG       GLN  67  -5.989  -3.755  25.131
  529   2HG   GLN  67          1HG       GLN  67  -6.007  -5.502  25.372
  530   1HE2  GLN  67          1HE2      GLN  67  -7.134  -3.832  27.354
  531   2HE2  GLN  67          2HE2      GLN  67  -6.150  -3.859  28.736
  532    H    GLU  68           HN       GLU  68  -2.397  -6.590  23.253
  533    HA   GLU  68           HA       GLU  68  -0.351  -4.833  22.109
  534   1HB   GLU  68          2HB       GLU  68  -0.493  -7.813  22.679
  535   2HB   GLU  68          1HB       GLU  68   0.978  -6.944  22.242
  536   1HG   GLU  68          2HG       GLU  68   0.731  -5.514  24.236
  537   2HG   GLU  68          1HG       GLU  68  -0.749  -6.369  24.670
  538    H    ILE  69           HN       ILE  69  -2.429  -7.491  20.980
  539    HA   ILE  69           HA       ILE  69  -1.254  -7.843  18.393
  540    HB   ILE  69           HB       ILE  69  -4.103  -8.189  19.386
  541   1HG1  ILE  69          2HG1      ILE  69  -1.905 -10.257  19.145
  542   2HG1  ILE  69          1HG1      ILE  69  -2.246  -9.390  20.642
  543   1HG2  ILE  69          1HG2      ILE  69  -3.235  -8.284  16.781
  544   2HG2  ILE  69          3HG2      ILE  69  -3.042  -9.963  17.284
  545   3HG2  ILE  69          2HG2      ILE  69  -4.619  -9.182  17.407
  546   1HD1  ILE  69          2HD1      ILE  69  -4.670 -10.472  19.426
  547   2HD1  ILE  69          1HD1      ILE  69  -3.491 -11.733  19.786
  548   3HD1  ILE  69          3HD1      ILE  69  -4.062 -10.667  21.070
  549    H    LEU  70           HN       LEU  70  -4.059  -5.873  19.429
  550    HA   LEU  70           HA       LEU  70  -4.840  -4.752  16.999
  551   1HB   LEU  70          2HB       LEU  70  -6.028  -4.353  19.055
  552   2HB   LEU  70          1HB       LEU  70  -4.616  -3.599  19.793
  553    HG   LEU  70           HG       LEU  70  -6.499  -2.058  18.856
  554   1HD1  LEU  70          3HD1      LEU  70  -3.859  -1.678  19.365
  555   2HD1  LEU  70          2HD1      LEU  70  -3.914  -1.243  17.657
  556   3HD1  LEU  70          1HD1      LEU  70  -4.935  -0.393  18.816
  557   1HD2  LEU  70          3HD2      LEU  70  -6.506  -3.362  16.652
  558   2HD2  LEU  70          2HD2      LEU  70  -6.448  -1.605  16.513
  559   3HD2  LEU  70          1HD2      LEU  70  -4.980  -2.556  16.288
  560    H    GLN  71           HN       GLN  71  -2.536  -3.160  19.257
  561    HA   GLN  71           HA       GLN  71  -1.683  -1.054  17.657
  562   1HB   GLN  71          2HB       GLN  71  -1.043  -1.553  20.010
  563   2HB   GLN  71          1HB       GLN  71   0.003  -2.850  19.431
  564   1HG   GLN  71          2HG       GLN  71   1.340  -1.234  18.158
  565   2HG   GLN  71          1HG       GLN  71   0.267   0.073  18.659
  566   1HE2  GLN  71          1HE2      GLN  71   2.870   0.464  19.379
  567   2HE2  GLN  71          2HE2      GLN  71   3.114   0.149  21.029
  568    H    ARG  72           HN       ARG  72  -0.132  -4.291  17.765
  569    HA   ARG  72           HA       ARG  72   1.773  -3.889  15.726
  570   1HB   ARG  72          2HB       ARG  72   0.174  -6.336  16.546
  571   2HB   ARG  72          1HB       ARG  72   1.613  -6.395  15.529
  572   1HG   ARG  72          2HG       ARG  72   2.870  -5.219  17.369
  573   2HG   ARG  72          1HG       ARG  72   1.441  -5.397  18.386
  574   1HD   ARG  72          2HD       ARG  72   3.107  -7.633  17.174
  575   2HD   ARG  72          1HD       ARG  72   2.891  -7.265  18.895
  576    HE   ARG  72           HE       ARG  72   0.536  -7.941  18.678
  577   1HH1  ARG  72          1HH1      ARG  72   2.261  -8.099  15.711
  578   2HH1  ARG  72          2HH1      ARG  72   1.341  -9.426  15.088
  579   1HH2  ARG  72          1HH2      ARG  72  -0.538  -9.829  17.970
  580   2HH2  ARG  72          2HH2      ARG  72  -0.242 -10.404  16.363
  581    H    LEU  73           HN       LEU  73  -1.502  -5.316  15.376
  582    HA   LEU  73           HA       LEU  73  -1.565  -5.695  12.607
  583   1HB   LEU  73          2HB       LEU  73  -3.689  -4.714  14.538
  584   2HB   LEU  73          1HB       LEU  73  -4.039  -5.311  12.916
  585    HG   LEU  73           HG       LEU  73  -2.669  -6.872  15.129
  586   1HD1  LEU  73          1HD1      LEU  73  -5.430  -7.014  13.889
  587   2HD1  LEU  73          3HD1      LEU  73  -4.751  -8.295  14.895
  588   3HD1  LEU  73          2HD1      LEU  73  -5.030  -6.693  15.576
  589   1HD2  LEU  73          2HD2      LEU  73  -2.625  -7.175  12.278
  590   2HD2  LEU  73          1HD2      LEU  73  -1.908  -8.224  13.500
  591   3HD2  LEU  73          3HD2      LEU  73  -3.566  -8.499  12.968
  592    H    GLU  74           HN       GLU  74  -2.563  -2.721  14.352
  593    HA   GLU  74           HA       GLU  74  -3.201  -1.099  12.152
  594   1HB   GLU  74          2HB       GLU  74  -1.766  -0.370  14.726
  595   2HB   GLU  74          1HB       GLU  74  -2.672   0.747  13.706
  596   1HG   GLU  74          2HG       GLU  74  -4.700  -0.716  14.051
  597   2HG   GLU  74          1HG       GLU  74  -3.765  -1.630  15.235
  598    H    GLU  75           HN       GLU  75   0.013  -1.559  13.677
  599    HA   GLU  75           HA       GLU  75   1.459   0.226  11.989
  600   1HB   GLU  75          2HB       GLU  75   2.141  -0.826  14.177
  601   2HB   GLU  75          1HB       GLU  75   2.396  -2.339  13.307
  602   1HG   GLU  75          2HG       GLU  75   4.017  -1.168  11.816
  603   2HG   GLU  75          1HG       GLU  75   3.809   0.293  12.780
  604    H    ILE  76           HN       ILE  76   1.200  -3.353  11.783
  605    HA   ILE  76           HA       ILE  76   2.588  -3.585   9.285
  606    HB   ILE  76           HB       ILE  76   0.464  -5.341  10.562
  607   1HG1  ILE  76          2HG1      ILE  76   2.237  -4.935  12.149
  608   2HG1  ILE  76          1HG1      ILE  76   2.497  -6.542  11.468
  609   1HG2  ILE  76          1HG2      ILE  76   1.873  -5.548   8.090
  610   2HG2  ILE  76          3HG2      ILE  76   2.527  -6.769   9.181
  611   3HG2  ILE  76          2HG2      ILE  76   0.799  -6.735   8.829
  612   1HD1  ILE  76          3HD1      ILE  76   4.054  -5.457   9.783
  613   2HD1  ILE  76          2HD1      ILE  76   3.924  -3.973  10.728
  614   3HD1  ILE  76          1HD1      ILE  76   4.628  -5.421  11.449
  615    H    ALA  77           HN       ALA  77  -0.886  -3.375  10.062
  616    HA   ALA  77           HA       ALA  77  -1.951  -3.731   7.467
  617   1HB   ALA  77          2HB       ALA  77  -3.480  -3.670   9.237
  618   2HB   ALA  77          1HB       ALA  77  -2.734  -2.243   9.958
  619   3HB   ALA  77          3HB       ALA  77  -3.730  -2.082   8.511
  620    H    GLU  78           HN       GLU  78  -0.622  -0.821   9.009
  621    HA   GLU  78           HA       GLU  78  -1.365   1.059   6.982
  622   1HB   GLU  78          2HB       GLU  78   0.832   0.906   9.056
  623   2HB   GLU  78          1HB       GLU  78   0.578   2.336   8.055
  624   1HG   GLU  78          2HG       GLU  78  -1.693   1.101   9.612
  625   2HG   GLU  78          1HG       GLU  78  -0.595   2.258  10.366
  626    H    ASP  79           HN       ASP  79   1.499  -1.049   7.311
  627    HA   ASP  79           HA       ASP  79   2.224  -0.289   4.503
  628   1HB   ASP  79          2HB       ASP  79   3.545   0.470   6.839
  629   2HB   ASP  79          1HB       ASP  79   4.492  -0.893   6.243
  630    HA   PRO  80           HA       PRO  80   2.426  -4.620   3.743
  631   1HB   PRO  80          2HB       PRO  80   4.702  -4.327   2.008
  632   2HB   PRO  80          1HB       PRO  80   3.006  -4.510   1.555
  633   1HG   PRO  80          2HG       PRO  80   4.642  -2.149   1.382
  634   2HG   PRO  80          1HG       PRO  80   2.951  -2.337   0.909
  635   1HD   PRO  80          2HD       PRO  80   3.999  -0.889   3.169
  636   2HD   PRO  80          1HD       PRO  80   2.294  -1.106   2.711
  637    H    GLY  81           HN       GLY  81   5.815  -3.448   3.564
  638   1HA   GLY  81          1HA       GLY  81   6.511  -4.850   6.042
  639   2HA   GLY  81          2HA       GLY  81   7.627  -3.958   5.005
  640    H    THR  82           HN       THR  82   7.562  -6.828   6.164
  641    HA   THR  82           HA       THR  82   8.728  -8.103   3.799
  642    HB   THR  82           HB       THR  82   9.218  -9.880   5.432
  643    HG1  THR  82          1HG       THR  82   8.432  -9.368   7.638
  644   1HG2  THR  82          2HG2      THR  82   9.944  -7.125   5.687
  645   2HG2  THR  82          1HG2      THR  82   9.819  -7.820   7.302
  646   3HG2  THR  82          3HG2      THR  82  10.894  -8.550   6.109
  647    H    CYS  83           HN       CYS  83   5.652  -8.108   5.441
  648    HA   CYS  83           HA       CYS  83   4.575 -10.619   4.750
  649   1HB   CYS  83          2HB       CYS  83   3.603  -8.695   6.128
  650   2HB   CYS  83          1HB       CYS  83   3.120  -7.965   4.597
  651    H    GLU  84           HN       GLU  84   4.375  -7.592   2.839
  652    HA   GLU  84           HA       GLU  84   3.112  -8.668   0.548
  653   1HB   GLU  84          2HB       GLU  84   3.471  -6.269   1.133
  654   2HB   GLU  84          1HB       GLU  84   5.180  -6.458   0.743
  655   1HG   GLU  84          2HG       GLU  84   4.530  -7.167  -1.564
  656   2HG   GLU  84          1HG       GLU  84   2.846  -6.839  -1.158
  657    H    ILE  85           HN       ILE  85   6.547  -8.692   1.471
  658    HA   ILE  85           HA       ILE  85   7.249  -9.913  -1.153
  659    HB   ILE  85           HB       ILE  85   9.506  -9.355  -0.521
  660   1HG1  ILE  85          2HG1      ILE  85   8.319  -9.011   2.240
  661   2HG1  ILE  85          1HG1      ILE  85   9.589 -10.130   1.745
  662   1HG2  ILE  85          2HG2      ILE  85   7.384  -7.453  -0.501
  663   2HG2  ILE  85          1HG2      ILE  85   8.549  -6.956   0.726
  664   3HG2  ILE  85          3HG2      ILE  85   9.071  -7.188  -0.942
  665   1HD1  ILE  85          1HD1      ILE  85  10.638  -7.710   0.973
  666   2HD1  ILE  85          3HD1      ILE  85   9.766  -7.272   2.442
  667   3HD1  ILE  85          2HD1      ILE  85  11.011  -8.521   2.493
  668    H    CYS  86           HN       CYS  86   5.920 -11.139   1.483
  669    HA   CYS  86           HA       CYS  86   5.970 -13.253   2.537
  670   1HB   CYS  86          2HB       CYS  86   6.548 -13.467  -0.216
  671   2HB   CYS  86          1HB       CYS  86   7.695 -14.535   0.594
  672    H    ALA  87           HN       ALA  87   8.444 -11.260   2.648
  673    HA   ALA  87           HA       ALA  87  10.796 -12.820   3.084
  674   1HB   ALA  87          3HB       ALA  87  11.037 -10.649   4.740
  675   2HB   ALA  87          1HB       ALA  87   9.752 -10.113   3.658
  676   3HB   ALA  87          2HB       ALA  87  11.315 -10.595   2.999
  677    H    TYR  88           HN       TYR  88   7.900 -12.554   4.914
  678    HA   TYR  88           HA       TYR  88   9.136 -14.154   7.104
  679   1HB   TYR  88          2HB       TYR  88   7.851 -11.445   7.242
  680   2HB   TYR  88          1HB       TYR  88   7.649 -12.547   8.604
  681    HD1  TYR  88           HD1      TYR  88  10.237 -10.999   6.401
  682    HD2  TYR  88           HD2      TYR  88   9.380 -12.839  10.185
  683    HE1  TYR  88           HE1      TYR  88  12.519 -10.436   7.189
  684    HE2  TYR  88           HE2      TYR  88  11.663 -12.278  10.975
  685    HH   TYR  88           HH       TYR  88  13.849 -11.760  10.061
  686    H    ALA  89           HN       ALA  89   7.255 -14.906   8.622
  687    HA   ALA  89           HA       ALA  89   5.245 -16.222   6.974
  688   1HB   ALA  89          1HB       ALA  89   6.532 -16.686   9.348
  689   2HB   ALA  89          3HB       ALA  89   4.945 -16.167   9.913
  690   3HB   ALA  89          2HB       ALA  89   5.086 -17.549   8.825
  691    H    ALA  90           HN       ALA  90   5.388 -13.093   8.009
  692    HA   ALA  90           HA       ALA  90   2.881 -12.559   9.239
  693   1HB   ALA  90          3HB       ALA  90   4.503 -10.900   7.281
  694   2HB   ALA  90          2HB       ALA  90   3.312 -10.274   8.421
  695   3HB   ALA  90          1HB       ALA  90   4.803 -11.004   9.016
  696    H    CYS  91           HN       CYS  91   3.751 -12.906   5.804
  697    HA   CYS  91           HA       CYS  91   0.897 -12.442   5.052
  698   1HB   CYS  91          2HB       CYS  91   3.514 -11.886   3.947
  699   2HB   CYS  91          1HB       CYS  91   2.536 -12.780   2.784
  700    H    THR  92           HN       THR  92  -0.333 -14.231   4.668
  701    HA   THR  92           HA       THR  92   1.043 -16.826   4.108
  702    HB   THR  92           HB       THR  92  -0.942 -17.812   5.050
  703    HG1  THR  92          1HG       THR  92  -2.399 -16.374   3.978
  704   1HG2  THR  92          3HG2      THR  92   0.507 -15.710   6.408
  705   2HG2  THR  92          2HG2      THR  92  -1.142 -15.816   7.026
  706   3HG2  THR  92          1HG2      THR  92  -0.097 -17.237   7.053
  707    H    GLY  93           HN       GLY  93   0.013 -18.235   2.467
  708   1HA   GLY  93          1HA       GLY  93  -1.697 -16.811   0.490
  709   2HA   GLY  93          2HA       GLY  93  -1.476 -18.559   0.572
  710    H    CYS  94           HN       CYS  94   1.515 -17.379   1.061
  711    HA   CYS  94           HA       CYS  94   2.158 -17.239  -1.868
  712   1HB   CYS  94          2HB       CYS  94   4.105 -15.886  -1.093
  713   2HB   CYS  94          1HB       CYS  94   2.568 -15.171  -0.609

  No H/Q in entry =         713
  Start of MODEL   17
    1    H1   VAL   1          2H        VAL   1  -3.255 -11.880  -0.364
    2    H2   VAL   1          1H        VAL   1  -1.938 -12.423  -1.290
    3    H3   VAL   1          3H        VAL   1  -2.681 -13.470  -0.182
    4    HA   VAL   1           HA       VAL   1  -0.849 -12.840   1.034
    5    HB   VAL   1           HB       VAL   1  -0.257 -11.315  -0.921
    6   1HG1  VAL   1          2HG1      VAL   1  -2.466  -9.956  -0.385
    7   2HG1  VAL   1          1HG1      VAL   1  -1.399  -9.071   0.705
    8   3HG1  VAL   1          3HG1      VAL   1  -1.043  -9.130  -1.020
    9   1HG2  VAL   1          3HG2      VAL   1   0.661 -11.362   1.713
   10   2HG2  VAL   1          2HG2      VAL   1   1.493 -10.642   0.335
   11   3HG2  VAL   1          1HG2      VAL   1   0.460  -9.646   1.359
   12    H    THR   2           HN       THR   2  -1.819 -12.981   3.045
   13    HA   THR   2           HA       THR   2  -3.409 -10.605   3.962
   14    HB   THR   2           HB       THR   2  -3.868 -13.551   4.529
   15    HG1  THR   2          1HG       THR   2  -4.387 -12.364   2.384
   16   1HG2  THR   2          2HG2      THR   2  -5.127 -11.009   5.498
   17   2HG2  THR   2          1HG2      THR   2  -6.132 -12.445   5.305
   18   3HG2  THR   2          3HG2      THR   2  -4.746 -12.479   6.395
   19    H    VAL   3           HN       VAL   3  -3.238 -10.153   6.235
   20    HA   VAL   3           HA       VAL   3  -0.636 -10.881   7.406
   21    HB   VAL   3           HB       VAL   3  -2.948  -9.073   8.145
   22   1HG1  VAL   3          2HG1      VAL   3  -0.401  -9.644   9.686
   23   2HG1  VAL   3          1HG1      VAL   3  -1.444  -8.255   9.991
   24   3HG1  VAL   3          3HG1      VAL   3  -2.055  -9.890  10.246
   25   1HG2  VAL   3          1HG2      VAL   3  -0.938  -8.709   6.362
   26   2HG2  VAL   3          3HG2      VAL   3  -1.663  -7.387   7.277
   27   3HG2  VAL   3          2HG2      VAL   3  -0.156  -8.117   7.827
   28    H    GLN   4           HN       GLN   4  -0.469 -12.762   8.572
   29    HA   GLN   4           HA       GLN   4  -2.900 -13.741  10.024
   30   1HB   GLN   4          2HB       GLN   4  -2.005 -15.186   8.243
   31   2HB   GLN   4          1HB       GLN   4  -0.417 -15.164   9.011
   32   1HG   GLN   4          2HG       GLN   4  -1.438 -16.182  11.052
   33   2HG   GLN   4          1HG       GLN   4  -2.974 -16.293  10.193
   34   1HE2  GLN   4          1HE2      GLN   4  -3.299 -18.203   9.041
   35   2HE2  GLN   4          2HE2      GLN   4  -2.071 -19.279   8.575
   36    H    ASP   5           HN       ASP   5  -2.807 -13.706  12.222
   37    HA   ASP   5           HA       ASP   5  -0.125 -13.374  13.527
   38   1HB   ASP   5          2HB       ASP   5  -2.927 -12.433  14.188
   39   2HB   ASP   5          1HB       ASP   5  -1.609 -12.354  15.358
   40    H    GLY   6           HN       GLY   6  -2.164 -15.757  12.823
   41   1HA   GLY   6          1HA       GLY   6  -2.984 -16.971  15.236
   42   2HA   GLY   6          2HA       GLY   6  -1.324 -17.489  14.943
   43    H    ASN   7           HN       ASN   7  -3.995 -18.949  14.776
   44    HA   ASN   7           HA       ASN   7  -3.380 -20.429  12.315
   45   1HB   ASN   7          2HB       ASN   7  -5.550 -20.683  14.427
   46   2HB   ASN   7          1HB       ASN   7  -5.201 -21.887  13.186
   47   1HD2  ASN   7          1HD2      ASN   7  -4.847 -21.830  16.292
   48   2HD2  ASN   7          2HD2      ASN   7  -3.255 -22.376  16.511
   49    H    PHE   8           HN       PHE   8  -4.900 -17.576  12.704
   50    HA   PHE   8           HA       PHE   8  -6.973 -18.189  10.621
   51   1HB   PHE   8          2HB       PHE   8  -6.996 -16.119  12.842
   52   2HB   PHE   8          1HB       PHE   8  -8.308 -16.429  11.706
   53    HD1  PHE   8           HD1      PHE   8  -6.446 -17.722  14.610
   54    HD2  PHE   8           HD2      PHE   8  -9.666 -18.454  11.863
   55    HE1  PHE   8           HE1      PHE   8  -7.294 -19.527  16.085
   56    HE2  PHE   8           HE2      PHE   8 -10.512 -20.260  13.337
   57    HZ   PHE   8           HZ       PHE   8  -9.326 -20.797  15.449
   58    H    SER   9           HN       SER   9  -7.100 -16.713   8.887
   59    HA   SER   9           HA       SER   9  -4.740 -14.967   8.514
   60   1HB   SER   9          2HB       SER   9  -7.065 -15.749   6.724
   61   2HB   SER   9          1HB       SER   9  -5.618 -14.890   6.194
   62    HG   SER   9           HG       SER   9  -5.250 -17.018   5.795
   63    H    PHE  10           HN       PHE  10  -4.862 -12.814   8.989
   64    HA   PHE  10           HA       PHE  10  -7.570 -11.538   9.148
   65   1HB   PHE  10          2HB       PHE  10  -4.897 -10.922  10.448
   66   2HB   PHE  10          1HB       PHE  10  -6.346  -9.940  10.657
   67    HD1  PHE  10           HD1      PHE  10  -8.358 -12.253  10.631
   68    HD2  PHE  10           HD2      PHE  10  -4.647 -11.682  12.717
   69    HE1  PHE  10           HE1      PHE  10  -9.134 -13.773  12.428
   70    HE2  PHE  10           HE2      PHE  10  -5.425 -13.200  14.516
   71    HZ   PHE  10           HZ       PHE  10  -7.669 -14.245  14.373
   72    H    SER  11           HN       SER  11  -8.012 -10.125   7.507
   73    HA   SER  11           HA       SER  11  -6.160  -9.382   5.466
   74   1HB   SER  11          2HB       SER  11  -8.757  -8.117   6.403
   75   2HB   SER  11          1HB       SER  11  -7.996  -7.820   4.840
   76    HG   SER  11           HG       SER  11  -9.399 -10.013   5.750
   77    H    LEU  12           HN       LEU  12  -5.235  -7.254   5.036
   78    HA   LEU  12           HA       LEU  12  -4.466  -5.814   7.528
   79   1HB   LEU  12          2HB       LEU  12  -2.757  -6.708   5.960
   80   2HB   LEU  12          1HB       LEU  12  -3.424  -5.700   4.677
   81    HG   LEU  12           HG       LEU  12  -2.972  -3.688   6.125
   82   1HD1  LEU  12          3HD1      LEU  12  -2.268  -5.828   7.979
   83   2HD1  LEU  12          2HD1      LEU  12  -0.964  -4.653   7.806
   84   3HD1  LEU  12          1HD1      LEU  12  -2.570  -4.122   8.306
   85   1HD2  LEU  12          3HD2      LEU  12  -0.879  -5.502   5.011
   86   2HD2  LEU  12          2HD2      LEU  12  -1.316  -3.862   4.528
   87   3HD2  LEU  12          1HD2      LEU  12  -0.332  -4.125   5.969
   88    H    GLU  13           HN       GLU  13  -6.383  -5.423   4.650
   89    HA   GLU  13           HA       GLU  13  -6.391  -2.577   4.404
   90   1HB   GLU  13          2HB       GLU  13  -8.523  -4.665   3.846
   91   2HB   GLU  13          1HB       GLU  13  -8.540  -3.018   3.214
   92   1HG   GLU  13          2HG       GLU  13  -6.341  -3.451   2.123
   93   2HG   GLU  13          1HG       GLU  13  -6.412  -5.117   2.695
   94    H    SER  14           HN       SER  14  -9.030  -4.556   5.813
   95    HA   SER  14           HA       SER  14 -10.520  -2.562   7.033
   96   1HB   SER  14          2HB       SER  14  -9.846  -5.204   8.340
   97   2HB   SER  14          1HB       SER  14 -11.371  -4.321   8.413
   98    HG   SER  14           HG       SER  14 -11.607  -4.690   6.177
   99    H    VAL  15           HN       VAL  15  -7.740  -4.272   8.543
  100    HA   VAL  15           HA       VAL  15  -7.802  -2.849  11.010
  101    HB   VAL  15           HB       VAL  15  -5.422  -3.642  11.135
  102   1HG1  VAL  15          3HG1      VAL  15  -7.714  -5.050  11.297
  103   2HG1  VAL  15          2HG1      VAL  15  -6.946  -5.915   9.962
  104   3HG1  VAL  15          1HG1      VAL  15  -6.129  -5.795  11.523
  105   1HG2  VAL  15          3HG2      VAL  15  -6.004  -4.527   8.295
  106   2HG2  VAL  15          2HG2      VAL  15  -4.805  -3.332   8.786
  107   3HG2  VAL  15          1HG2      VAL  15  -4.600  -5.023   9.238
  108    H    LYS  16           HN       LYS  16  -5.988  -2.171   7.994
  109    HA   LYS  16           HA       LYS  16  -4.598   0.145   8.901
  110   1HB   LYS  16          2HB       LYS  16  -4.372  -1.207   6.731
  111   2HB   LYS  16          1HB       LYS  16  -5.772  -0.313   6.141
  112   1HG   LYS  16          2HG       LYS  16  -3.476   1.220   7.307
  113   2HG   LYS  16          1HG       LYS  16  -3.318   0.572   5.674
  114   1HD   LYS  16          2HD       LYS  16  -5.689   2.232   6.569
  115   2HD   LYS  16          1HD       LYS  16  -4.257   2.930   5.812
  116   1HE   LYS  16          2HE       LYS  16  -4.648   1.779   3.763
  117   2HE   LYS  16          1HE       LYS  16  -5.799   0.662   4.521
  118   1HZ   LYS  16          1HZ       LYS  16  -6.223   3.591   4.578
  119   2HZ   LYS  16          3HZ       LYS  16  -6.743   2.667   3.254
  120   3HZ   LYS  16          2HZ       LYS  16  -7.363   2.353   4.805
  121    H    LYS  17           HN       LYS  17  -7.673  -0.041   7.061
  122    HA   LYS  17           HA       LYS  17  -8.311   2.763   7.634
  123   1HB   LYS  17          2HB       LYS  17  -8.878   1.512   5.527
  124   2HB   LYS  17          1HB       LYS  17  -9.974   0.502   6.469
  125   1HG   LYS  17          2HG       LYS  17 -11.268   2.496   7.116
  126   2HG   LYS  17          1HG       LYS  17 -10.161   3.519   6.201
  127   1HD   LYS  17          2HD       LYS  17 -12.147   3.072   4.852
  128   2HD   LYS  17          1HD       LYS  17 -10.760   2.250   4.136
  129   1HE   LYS  17          2HE       LYS  17 -11.679   0.195   4.490
  130   2HE   LYS  17          1HE       LYS  17 -12.174   0.618   6.140
  131   1HZ   LYS  17          2HZ       LYS  17 -13.894   2.085   5.073
  132   2HZ   LYS  17          1HZ       LYS  17 -13.525   1.335   3.594
  133   3HZ   LYS  17          3HZ       LYS  17 -14.156   0.418   4.873
  134    H    LEU  18           HN       LEU  18  -8.211   0.207   9.607
  135    HA   LEU  18           HA       LEU  18 -10.705  -0.192  10.816
  136   1HB   LEU  18          2HB       LEU  18  -8.510  -1.325  11.252
  137   2HB   LEU  18          1HB       LEU  18  -7.989   0.105  12.143
  138    HG   LEU  18           HG       LEU  18  -9.569  -0.247  13.861
  139   1HD1  LEU  18          1HD1      LEU  18 -10.940  -2.177  11.962
  140   2HD1  LEU  18          3HD1      LEU  18 -11.433  -1.892  13.632
  141   3HD1  LEU  18          2HD1      LEU  18 -11.536  -0.590  12.447
  142   1HD2  LEU  18          1HD2      LEU  18  -7.704  -2.019  13.625
  143   2HD2  LEU  18          3HD2      LEU  18  -9.068  -2.430  14.665
  144   3HD2  LEU  18          2HD2      LEU  18  -8.971  -3.096  13.036
  145    H    LYS  19           HN       LYS  19  -8.385   2.479  11.302
  146    HA   LYS  19           HA       LYS  19  -9.644   3.748  13.509
  147   1HB   LYS  19          2HB       LYS  19  -7.425   4.296  12.489
  148   2HB   LYS  19          1HB       LYS  19  -8.267   5.003  11.110
  149   1HG   LYS  19          2HG       LYS  19  -9.430   6.565  12.684
  150   2HG   LYS  19          1HG       LYS  19  -8.452   5.913  13.998
  151   1HD   LYS  19          2HD       LYS  19  -6.397   6.594  12.770
  152   2HD   LYS  19          1HD       LYS  19  -7.408   7.308  11.514
  153   1HE   LYS  19          2HE       LYS  19  -8.116   9.054  12.894
  154   2HE   LYS  19          1HE       LYS  19  -7.845   8.122  14.379
  155   1HZ   LYS  19          1HZ       LYS  19  -5.440   8.135  13.807
  156   2HZ   LYS  19          3HZ       LYS  19  -5.777   9.205  12.536
  157   3HZ   LYS  19          2HZ       LYS  19  -6.059   9.681  14.142
  158    H    ASP  20           HN       ASP  20 -10.213   4.159  10.005
  159    HA   ASP  20           HA       ASP  20 -12.609   5.833  10.579
  160   1HB   ASP  20          2HB       ASP  20 -10.875   6.515   8.915
  161   2HB   ASP  20          1HB       ASP  20 -11.231   5.060   7.985
  162    H    LEU  21           HN       LEU  21 -14.481   4.666  10.860
  163    HA   LEU  21           HA       LEU  21 -14.761   2.017   9.535
  164   1HB   LEU  21          2HB       LEU  21 -15.158   2.418  11.995
  165   2HB   LEU  21          1HB       LEU  21 -16.533   3.431  11.551
  166    HG   LEU  21           HG       LEU  21 -17.481   1.472  10.291
  167   1HD1  LEU  21          1HD1      LEU  21 -14.887   0.444  10.737
  168   2HD1  LEU  21          3HD1      LEU  21 -15.977  -0.550  11.705
  169   3HD1  LEU  21          2HD1      LEU  21 -16.243  -0.382   9.969
  170   1HD2  LEU  21          3HD2      LEU  21 -17.877   2.100  12.812
  171   2HD2  LEU  21          2HD2      LEU  21 -18.477   0.560  12.199
  172   3HD2  LEU  21          1HD2      LEU  21 -16.980   0.616  13.128
  173    H    GLN  22           HN       GLN  22 -16.078   1.759   7.773
  174    HA   GLN  22           HA       GLN  22 -18.036   3.945   7.136
  175   1HB   GLN  22          2HB       GLN  22 -16.198   2.319   5.349
  176   2HB   GLN  22          1HB       GLN  22 -17.449   3.403   4.741
  177   1HG   GLN  22          2HG       GLN  22 -16.385   5.286   5.958
  178   2HG   GLN  22          1HG       GLN  22 -15.115   4.194   6.512
  179   1HE2  GLN  22          1HE2      GLN  22 -14.424   6.433   4.918
  180   2HE2  GLN  22          2HE2      GLN  22 -13.924   5.894   3.388
  181    H    GLU  23           HN       GLU  23 -20.047   3.222   6.275
  182    HA   GLU  23           HA       GLU  23 -21.141   0.803   7.155
  183   1HB   GLU  23          2HB       GLU  23 -22.747   2.279   6.449
  184   2HB   GLU  23          1HB       GLU  23 -21.753   2.884   5.126
  185   1HG   GLU  23          2HG       GLU  23 -22.310   1.034   3.729
  186   2HG   GLU  23          1HG       GLU  23 -22.972   0.116   5.082
  187    HA   PRO  24           HA       PRO  24 -20.284  -1.067   2.737
  188   1HB   PRO  24          2HB       PRO  24 -18.020   0.364   1.687
  189   2HB   PRO  24          1HB       PRO  24 -19.649   0.257   1.014
  190   1HG   PRO  24          2HG       PRO  24 -18.403   2.514   2.291
  191   2HG   PRO  24          1HG       PRO  24 -20.022   2.415   1.595
  192   1HD   PRO  24          2HD       PRO  24 -19.309   2.547   4.380
  193   2HD   PRO  24          1HD       PRO  24 -20.937   2.406   3.679
  194    H    GLN  25           HN       GLN  25 -19.196  -2.936   3.223
  195    HA   GLN  25           HA       GLN  25 -17.042  -3.097   5.101
  196   1HB   GLN  25          2HB       GLN  25 -18.698  -4.875   4.497
  197   2HB   GLN  25          1HB       GLN  25 -17.898  -5.039   2.934
  198   1HG   GLN  25          2HG       GLN  25 -15.803  -5.662   4.048
  199   2HG   GLN  25          1HG       GLN  25 -16.558  -5.441   5.626
  200   1HE2  GLN  25          1HE2      GLN  25 -15.552  -7.963   5.166
  201   2HE2  GLN  25          2HE2      GLN  25 -16.802  -9.066   4.855
  202    H    GLU  26           HN       GLU  26 -17.106  -3.146   1.549
  203    HA   GLU  26           HA       GLU  26 -14.569  -1.924   1.188
  204   1HB   GLU  26          2HB       GLU  26 -14.451  -4.562   2.194
  205   2HB   GLU  26          1HB       GLU  26 -13.991  -4.679   0.496
  206   1HG   GLU  26          2HG       GLU  26 -12.564  -2.503   1.148
  207   2HG   GLU  26          1HG       GLU  26 -12.630  -3.260   2.739
  208    HA   PRO  27           HA       PRO  27 -17.364  -2.689  -2.479
  209   1HB   PRO  27          2HB       PRO  27 -16.890   0.070  -3.133
  210   2HB   PRO  27          1HB       PRO  27 -18.398  -0.679  -2.605
  211   1HG   PRO  27          2HG       PRO  27 -16.706   1.098  -1.121
  212   2HG   PRO  27          1HG       PRO  27 -18.200   0.327  -0.584
  213   1HD   PRO  27          2HD       PRO  27 -15.488  -0.278   0.230
  214   2HD   PRO  27          1HD       PRO  27 -16.997  -1.025   0.803
  215    H    ARG  28           HN       ARG  28 -14.270  -1.038  -2.058
  216    HA   ARG  28           HA       ARG  28 -13.370  -2.192  -4.669
  217   1HB   ARG  28          2HB       ARG  28 -13.032   0.634  -3.617
  218   2HB   ARG  28          1HB       ARG  28 -12.200   0.008  -5.041
  219   1HG   ARG  28          2HG       ARG  28 -14.427  -0.525  -6.048
  220   2HG   ARG  28          1HG       ARG  28 -15.202   0.233  -4.658
  221   1HD   ARG  28          2HD       ARG  28 -13.336   1.592  -6.640
  222   2HD   ARG  28          1HD       ARG  28 -15.074   1.887  -6.446
  223    HE   ARG  28           HE       ARG  28 -13.983   2.234  -3.892
  224   1HH1  ARG  28          1HH1      ARG  28 -11.993   3.204  -6.269
  225   2HH1  ARG  28          2HH1      ARG  28 -12.180   4.911  -6.043
  226   1HH2  ARG  28          1HH2      ARG  28 -14.903   4.597  -3.918
  227   2HH2  ARG  28          2HH2      ARG  28 -13.828   5.700  -4.712
  228    H    VAL  29           HN       VAL  29 -11.002  -2.432  -4.775
  229    HA   VAL  29           HA       VAL  29  -9.749  -2.624  -2.054
  230    HB   VAL  29           HB       VAL  29  -9.266  -4.235  -4.582
  231   1HG1  VAL  29          2HG1      VAL  29  -8.215  -4.451  -1.750
  232   2HG1  VAL  29          1HG1      VAL  29  -8.085  -5.755  -2.930
  233   3HG1  VAL  29          3HG1      VAL  29  -7.278  -4.215  -3.226
  234   1HG2  VAL  29          3HG2      VAL  29 -11.311  -4.395  -2.554
  235   2HG2  VAL  29          2HG2      VAL  29 -11.094  -5.405  -3.983
  236   3HG2  VAL  29          1HG2      VAL  29 -10.284  -5.827  -2.474
  237    H    GLY  30           HN       GLY  30  -7.879  -1.454  -1.772
  238   1HA   GLY  30          1HA       GLY  30  -6.472   0.395  -2.436
  239   2HA   GLY  30          2HA       GLY  30  -6.801   0.004  -4.123
  240    H    LYS  31           HN       LYS  31  -4.762  -0.398  -4.928
  241    HA   LYS  31           HA       LYS  31  -3.450  -2.872  -4.431
  242   1HB   LYS  31          2HB       LYS  31  -2.452  -0.238  -5.566
  243   2HB   LYS  31          1HB       LYS  31  -1.629  -1.785  -5.759
  244   1HG   LYS  31          2HG       LYS  31  -3.745  -2.682  -6.810
  245   2HG   LYS  31          1HG       LYS  31  -4.385  -1.039  -6.779
  246   1HD   LYS  31          2HD       LYS  31  -1.780  -1.818  -8.121
  247   2HD   LYS  31          1HD       LYS  31  -3.317  -1.659  -8.969
  248   1HE   LYS  31          2HE       LYS  31  -3.191   0.718  -7.570
  249   2HE   LYS  31          1HE       LYS  31  -1.495   0.444  -8.008
  250   1HZ   LYS  31          3HZ       LYS  31  -3.688   0.008  -9.949
  251   2HZ   LYS  31          2HZ       LYS  31  -2.997   1.546  -9.744
  252   3HZ   LYS  31          1HZ       LYS  31  -2.037   0.241 -10.259
  253    H    LEU  32           HN       LEU  32  -2.854   0.385  -3.116
  254    HA   LEU  32           HA       LEU  32  -0.896  -0.837  -1.196
  255   1HB   LEU  32          2HB       LEU  32  -1.087   2.012  -2.223
  256   2HB   LEU  32          1HB       LEU  32   0.213   1.336  -1.242
  257    HG   LEU  32           HG       LEU  32  -0.534   0.504  -4.063
  258   1HD1  LEU  32          3HD1      LEU  32   1.873   1.919  -2.880
  259   2HD1  LEU  32          2HD1      LEU  32   1.800   1.308  -4.533
  260   3HD1  LEU  32          1HD1      LEU  32   0.705   2.592  -4.018
  261   1HD2  LEU  32          2HD2      LEU  32   1.159  -0.737  -1.948
  262   2HD2  LEU  32          1HD2      LEU  32   0.250  -1.501  -3.252
  263   3HD2  LEU  32          3HD2      LEU  32   1.803  -0.738  -3.590
  264    H    ARG  33           HN       ARG  33  -1.338  -0.538   0.979
  265    HA   ARG  33           HA       ARG  33  -3.613   1.292   1.680
  266   1HB   ARG  33          2HB       ARG  33  -2.834  -1.377   2.903
  267   2HB   ARG  33          1HB       ARG  33  -4.248  -0.413   3.330
  268   1HG   ARG  33          2HG       ARG  33  -3.696  -1.592   0.589
  269   2HG   ARG  33          1HG       ARG  33  -4.835  -2.244   1.767
  270   1HD   ARG  33          2HD       ARG  33  -4.996   0.569   0.626
  271   2HD   ARG  33          1HD       ARG  33  -5.963  -0.802   0.054
  272    HE   ARG  33           HE       ARG  33  -6.093  -0.487   2.947
  273   1HH1  ARG  33          1HH1      ARG  33  -6.836   2.141   1.428
  274   2HH1  ARG  33          2HH1      ARG  33  -8.560   1.983   1.396
  275   1HH2  ARG  33          1HH2      ARG  33  -8.536  -1.374   2.259
  276   2HH2  ARG  33          2HH2      ARG  33  -9.523  -0.005   1.866
  277    H    ASN  34           HN       ASN  34  -3.124   2.779   3.256
  278    HA   ASN  34           HA       ASN  34  -1.147   2.240   5.347
  279   1HB   ASN  34          2HB       ASN  34   0.469   3.893   4.588
  280   2HB   ASN  34          1HB       ASN  34   0.177   2.763   3.265
  281   1HD2  ASN  34          1HD2      ASN  34  -0.414   3.696   1.297
  282   2HD2  ASN  34          2HD2      ASN  34  -0.990   5.281   1.109
  283    H    PHE  35           HN       PHE  35  -0.979   4.157   6.836
  284    HA   PHE  35           HA       PHE  35  -2.752   6.436   6.489
  285   1HB   PHE  35          2HB       PHE  35  -4.333   4.534   6.845
  286   2HB   PHE  35          1HB       PHE  35  -3.564   4.223   8.401
  287    HD1  PHE  35           HD1      PHE  35  -5.640   6.595   6.469
  288    HD2  PHE  35           HD2      PHE  35  -3.910   5.695  10.296
  289    HE1  PHE  35           HE1      PHE  35  -7.079   8.316   7.525
  290    HE2  PHE  35           HE2      PHE  35  -5.350   7.415  11.352
  291    HZ   PHE  35           HZ       PHE  35  -6.935   8.726   9.967
  292    H    ALA  36           HN       ALA  36  -2.963   7.610   8.716
  293    HA   ALA  36           HA       ALA  36  -0.466   8.247   9.794
  294   1HB   ALA  36          1HB       ALA  36  -3.215   8.797  10.238
  295   2HB   ALA  36          2HB       ALA  36  -1.832   9.707  10.844
  296   3HB   ALA  36          3HB       ALA  36  -2.522   8.404  11.811
  297    HA   PRO  37           HA       PRO  37   0.802   5.236  12.725
  298   1HB   PRO  37          2HB       PRO  37   0.526   6.807  15.121
  299   2HB   PRO  37          1HB       PRO  37   1.993   6.487  14.191
  300   1HG   PRO  37          2HG       PRO  37   0.534   8.951  14.384
  301   2HG   PRO  37          1HG       PRO  37   1.990   8.626  13.440
  302   1HD   PRO  37          2HD       PRO  37  -0.706   9.023  12.473
  303   2HD   PRO  37          1HD       PRO  37   0.766   8.725  11.519
  304    H    ILE  38           HN       ILE  38  -1.296   4.070  12.369
  305    HA   ILE  38           HA       ILE  38  -3.580   4.451  14.075
  306    HB   ILE  38           HB       ILE  38  -2.673   1.929  12.664
  307   1HG1  ILE  38          2HG1      ILE  38  -4.400   3.364  10.991
  308   2HG1  ILE  38          1HG1      ILE  38  -3.264   4.567  11.598
  309   1HG2  ILE  38          2HG2      ILE  38  -4.799   2.166  14.223
  310   2HG2  ILE  38          1HG2      ILE  38  -5.482   2.965  12.808
  311   3HG2  ILE  38          3HG2      ILE  38  -4.911   1.300  12.690
  312   1HD1  ILE  38          2HD1      ILE  38  -1.445   2.778  11.038
  313   2HD1  ILE  38          1HD1      ILE  38  -2.697   2.067  10.020
  314   3HD1  ILE  38          3HD1      ILE  38  -2.145   3.714   9.718
  315    HA   PRO  39           HA       PRO  39  -1.577   0.728  16.505
  316   1HB   PRO  39          2HB       PRO  39   1.264   1.137  16.340
  317   2HB   PRO  39          1HB       PRO  39   0.329  -0.248  15.771
  318   1HG   PRO  39          2HG       PRO  39   1.629   1.740  14.186
  319   2HG   PRO  39          1HG       PRO  39   0.618   0.409  13.622
  320   1HD   PRO  39          2HD       PRO  39  -0.013   3.244  13.706
  321   2HD   PRO  39          1HD       PRO  39  -0.971   1.920  13.007
  322    H    GLY  40           HN       GLY  40  -1.164   1.028  18.736
  323   1HA   GLY  40          1HA       GLY  40   0.012   3.658  19.530
  324   2HA   GLY  40          2HA       GLY  40   0.027   2.215  20.545
  325    H    GLU  41           HN       GLU  41  -2.922   2.065  19.207
  326    HA   GLU  41           HA       GLU  41  -4.161   3.565  21.482
  327   1HB   GLU  41          2HB       GLU  41  -5.955   4.153  19.697
  328   2HB   GLU  41          1HB       GLU  41  -4.427   5.031  19.642
  329   1HG   GLU  41          2HG       GLU  41  -3.850   4.122  17.647
  330   2HG   GLU  41          1HG       GLU  41  -4.382   2.511  18.130
  331    HA   PRO  42           HA       PRO  42  -5.607  -0.873  21.007
  332   1HB   PRO  42          2HB       PRO  42  -5.492  -0.976  23.880
  333   2HB   PRO  42          1HB       PRO  42  -4.488  -1.849  22.721
  334   1HG   PRO  42          2HG       PRO  42  -3.727   0.342  24.415
  335   2HG   PRO  42          1HG       PRO  42  -2.724  -0.528  23.252
  336   1HD   PRO  42          2HD       PRO  42  -3.765   2.160  23.036
  337   2HD   PRO  42          1HD       PRO  42  -2.748   1.284  21.867
  338    H    VAL  43           HN       VAL  43  -7.783  -1.509  21.433
  339    HA   VAL  43           HA       VAL  43  -9.443   0.063  23.294
  340    HB   VAL  43           HB       VAL  43  -9.260   1.449  21.245
  341   1HG1  VAL  43          3HG1      VAL  43  -9.064  -0.829  19.866
  342   2HG1  VAL  43          2HG1      VAL  43 -10.803  -0.591  19.698
  343   3HG1  VAL  43          1HG1      VAL  43  -9.683   0.644  19.120
  344   1HG2  VAL  43          2HG2      VAL  43 -11.838   0.201  22.099
  345   2HG2  VAL  43          1HG2      VAL  43 -11.319   1.884  22.198
  346   3HG2  VAL  43          3HG2      VAL  43 -11.858   1.217  20.657
  347    H    VAL  44           HN       VAL  44  -9.385  -2.353  23.968
  348    HA   VAL  44           HA       VAL  44 -11.578  -3.815  22.531
  349    HB   VAL  44           HB       VAL  44  -8.938  -4.738  23.683
  350   1HG1  VAL  44          3HG1      VAL  44 -11.508  -6.183  23.466
  351   2HG1  VAL  44          2HG1      VAL  44 -10.126  -7.021  22.761
  352   3HG1  VAL  44          1HG1      VAL  44 -10.096  -6.542  24.458
  353   1HG2  VAL  44          3HG2      VAL  44 -10.279  -4.696  20.996
  354   2HG2  VAL  44          2HG2      VAL  44  -8.631  -4.237  21.425
  355   3HG2  VAL  44          1HG2      VAL  44  -9.078  -5.941  21.341
  356    HA   PRO  45           HA       PRO  45 -12.622  -2.949  27.015
  357   1HB   PRO  45          2HB       PRO  45 -15.328  -2.665  26.078
  358   2HB   PRO  45          1HB       PRO  45 -14.268  -1.417  26.737
  359   1HG   PRO  45          2HG       PRO  45 -15.098  -1.776  24.005
  360   2HG   PRO  45          1HG       PRO  45 -14.058  -0.513  24.669
  361   1HD   PRO  45          2HD       PRO  45 -13.292  -2.725  22.989
  362   2HD   PRO  45          1HD       PRO  45 -12.237  -1.475  23.691
  363    H    ILE  46           HN       ILE  46 -14.789  -4.602  24.671
  364    HA   ILE  46           HA       ILE  46 -14.455  -7.205  25.849
  365    HB   ILE  46           HB       ILE  46 -15.662  -5.729  27.617
  366   1HG1  ILE  46          2HG1      ILE  46 -15.496  -8.191  27.745
  367   2HG1  ILE  46          1HG1      ILE  46 -17.072  -7.632  28.309
  368   1HG2  ILE  46          3HG2      ILE  46 -17.935  -6.291  25.688
  369   2HG2  ILE  46          2HG2      ILE  46 -18.111  -5.605  27.303
  370   3HG2  ILE  46          1HG2      ILE  46 -17.261  -4.702  26.050
  371   1HD1  ILE  46          3HD1      ILE  46 -17.793  -7.985  25.813
  372   2HD1  ILE  46          2HD1      ILE  46 -16.366  -9.020  25.735
  373   3HD1  ILE  46          1HD1      ILE  46 -17.661  -9.387  26.875
  374    H    LEU  47           HN       LEU  47 -16.745  -5.018  24.201
  375    HA   LEU  47           HA       LEU  47 -17.590  -7.310  22.466
  376   1HB   LEU  47          2HB       LEU  47 -19.264  -6.011  23.851
  377   2HB   LEU  47          1HB       LEU  47 -18.878  -4.594  22.875
  378    HG   LEU  47           HG       LEU  47 -19.418  -6.078  20.836
  379   1HD1  LEU  47          3HD1      LEU  47 -19.375  -8.213  22.128
  380   2HD1  LEU  47          2HD1      LEU  47 -20.808  -7.678  23.006
  381   3HD1  LEU  47          1HD1      LEU  47 -20.898  -7.973  21.270
  382   1HD2  LEU  47          2HD2      LEU  47 -20.868  -4.242  21.805
  383   2HD2  LEU  47          1HD2      LEU  47 -21.759  -5.510  20.962
  384   3HD2  LEU  47          3HD2      LEU  47 -21.712  -5.487  22.724
  385    H    CYS  48           HN       CYS  48 -15.065  -5.950  22.012
  386    HA   CYS  48           HA       CYS  48 -13.869  -4.980  20.216
  387   1HB   CYS  48          2HB       CYS  48 -16.313  -6.260  19.176
  388   2HB   CYS  48          1HB       CYS  48 -15.626  -5.045  18.097
  389    H    SER  49           HN       SER  49 -13.496  -2.803  20.088
  390    HA   SER  49           HA       SER  49 -15.420  -0.797  20.717
  391   1HB   SER  49          2HB       SER  49 -13.650   0.715  20.024
  392   2HB   SER  49          1HB       SER  49 -12.907  -0.673  20.821
  393    HG   SER  49           HG       SER  49 -13.051  -0.061  18.076
  394    H    ASN  50           HN       ASN  50 -14.010  -1.612  17.535
  395    HA   ASN  50           HA       ASN  50 -15.964   0.029  16.104
  396   1HB   ASN  50          2HB       ASN  50 -13.667  -1.800  15.464
  397   2HB   ASN  50          1HB       ASN  50 -14.741  -1.275  14.168
  398   1HD2  ASN  50          1HD2      ASN  50 -13.104   0.112  13.191
  399   2HD2  ASN  50          2HD2      ASN  50 -12.598   1.551  13.937
  400    HA   PRO  51           HA       PRO  51 -18.948  -3.369  16.307
  401   1HB   PRO  51          2HB       PRO  51 -20.685  -1.715  14.720
  402   2HB   PRO  51          1HB       PRO  51 -20.803  -2.077  16.445
  403   1HG   PRO  51          2HG       PRO  51 -20.043   0.401  15.212
  404   2HG   PRO  51          1HG       PRO  51 -20.146   0.035  16.936
  405   1HD   PRO  51          2HD       PRO  51 -17.767   0.421  15.341
  406   2HD   PRO  51          1HD       PRO  51 -17.874   0.073  17.082
  407    H    ASN  52           HN       ASN  52 -17.442  -1.822  13.618
  408    HA   ASN  52           HA       ASN  52 -18.349  -4.057  11.834
  409   1HB   ASN  52          2HB       ASN  52 -17.866  -1.124  11.224
  410   2HB   ASN  52          1HB       ASN  52 -18.232  -2.347  10.007
  411   1HD2  ASN  52          1HD2      ASN  52 -19.948  -0.050  10.616
  412   2HD2  ASN  52          2HD2      ASN  52 -21.415  -0.668  11.205
  413    H    PHE  53           HN       PHE  53 -15.901  -3.884  13.508
  414    HA   PHE  53           HA       PHE  53 -13.696  -3.262  11.669
  415   1HB   PHE  53          2HB       PHE  53 -12.374  -3.578  13.563
  416   2HB   PHE  53          1HB       PHE  53 -13.920  -3.203  14.324
  417    HD1  PHE  53           HD1      PHE  53 -15.493  -5.597  14.136
  418    HD2  PHE  53           HD2      PHE  53 -11.266  -5.213  14.802
  419    HE1  PHE  53           HE1      PHE  53 -15.471  -7.799  15.278
  420    HE2  PHE  53           HE2      PHE  53 -11.245  -7.420  15.945
  421    HZ   PHE  53           HZ       PHE  53 -13.346  -8.709  16.181
  422    HA   PRO  54           HA       PRO  54 -12.990  -7.164   9.803
  423   1HB   PRO  54          2HB       PRO  54 -10.548  -7.889  11.155
  424   2HB   PRO  54          1HB       PRO  54 -10.738  -7.226   9.530
  425   1HG   PRO  54          2HG       PRO  54  -9.738  -5.897  11.885
  426   2HG   PRO  54          1HG       PRO  54  -9.886  -5.252  10.250
  427   1HD   PRO  54          2HD       PRO  54 -11.457  -4.562  12.549
  428   2HD   PRO  54          1HD       PRO  54 -11.673  -3.979  10.882
  429    H    GLU  55           HN       GLU  55 -14.867  -7.778  11.274
  430    HA   GLU  55           HA       GLU  55 -14.898  -8.946  13.739
  431   1HB   GLU  55          2HB       GLU  55 -16.783  -8.707  12.146
  432   2HB   GLU  55          1HB       GLU  55 -16.159 -10.080  11.226
  433   1HG   GLU  55          2HG       GLU  55 -16.362 -11.498  13.267
  434   2HG   GLU  55          1HG       GLU  55 -17.076 -10.128  14.118
  435    H    GLU  56           HN       GLU  56 -13.330 -10.290  10.888
  436    HA   GLU  56           HA       GLU  56 -12.998 -12.986  11.672
  437   1HB   GLU  56          2HB       GLU  56 -11.125 -11.039  10.280
  438   2HB   GLU  56          1HB       GLU  56 -10.901 -12.789  10.289
  439   1HG   GLU  56          2HG       GLU  56 -13.155 -13.045   9.250
  440   2HG   GLU  56          1HG       GLU  56 -13.286 -11.288   9.162
  441    H    LEU  57           HN       LEU  57 -11.825 -10.085  13.087
  442    HA   LEU  57           HA       LEU  57  -9.657 -11.436  14.609
  443   1HB   LEU  57          2HB       LEU  57 -10.632  -8.566  14.708
  444   2HB   LEU  57          1HB       LEU  57  -9.063  -9.176  15.230
  445    HG   LEU  57           HG       LEU  57 -10.087  -9.244  12.375
  446   1HD1  LEU  57          2HD1      LEU  57  -9.535  -6.959  13.392
  447   2HD1  LEU  57          1HD1      LEU  57  -7.872  -7.531  13.517
  448   3HD1  LEU  57          3HD1      LEU  57  -8.641  -7.398  11.936
  449   1HD2  LEU  57          1HD2      LEU  57  -8.363 -10.987  13.309
  450   2HD2  LEU  57          3HD2      LEU  57  -8.025 -10.170  11.782
  451   3HD2  LEU  57          2HD2      LEU  57  -7.242  -9.625  13.265
  452    H    LYS  58           HN       LYS  58 -12.889 -11.415  14.890
  453    HA   LYS  58           HA       LYS  58 -13.808 -10.397  17.252
  454   1HB   LYS  58          2HB       LYS  58 -14.402 -12.538  15.501
  455   2HB   LYS  58          1HB       LYS  58 -14.459 -13.209  17.131
  456   1HG   LYS  58          2HG       LYS  58 -16.126 -11.687  17.826
  457   2HG   LYS  58          1HG       LYS  58 -15.811 -10.592  16.480
  458   1HD   LYS  58          2HD       LYS  58 -17.827 -11.727  15.908
  459   2HD   LYS  58          1HD       LYS  58 -16.569 -12.505  14.949
  460   1HE   LYS  58          2HE       LYS  58 -17.344 -14.457  15.846
  461   2HE   LYS  58          1HE       LYS  58 -16.532 -13.942  17.337
  462   1HZ   LYS  58          1HZ       LYS  58 -18.654 -12.507  17.621
  463   2HZ   LYS  58          3HZ       LYS  58 -19.357 -13.614  16.546
  464   3HZ   LYS  58          2HZ       LYS  58 -18.717 -14.156  18.024
  465    HA   PRO  59           HA       PRO  59 -11.812 -14.108  19.737
  466   1HB   PRO  59          2HB       PRO  59  -9.403 -14.732  18.283
  467   2HB   PRO  59          1HB       PRO  59 -10.757 -15.800  18.658
  468   1HG   PRO  59          2HG       PRO  59 -10.062 -14.600  16.116
  469   2HG   PRO  59          1HG       PRO  59 -11.339 -15.766  16.464
  470   1HD   PRO  59          2HD       PRO  59 -11.670 -13.020  15.802
  471   2HD   PRO  59          1HD       PRO  59 -12.938 -14.133  16.360
  472    H    LEU  60           HN       LEU  60  -9.683 -11.991  17.768
  473    HA   LEU  60           HA       LEU  60  -7.728 -11.461  19.760
  474   1HB   LEU  60          2HB       LEU  60  -8.848  -9.824  17.464
  475   2HB   LEU  60          1HB       LEU  60  -7.367  -9.414  18.331
  476    HG   LEU  60           HG       LEU  60  -7.905 -11.961  16.772
  477   1HD1  LEU  60          1HD1      LEU  60  -7.324  -9.759  15.561
  478   2HD1  LEU  60          3HD1      LEU  60  -5.738  -9.905  16.318
  479   3HD1  LEU  60          2HD1      LEU  60  -6.306 -11.156  15.213
  480   1HD2  LEU  60          1HD2      LEU  60  -5.693 -11.130  18.639
  481   2HD2  LEU  60          3HD2      LEU  60  -6.560 -12.664  18.565
  482   3HD2  LEU  60          2HD2      LEU  60  -5.376 -12.260  17.323
  483    H    CYS  61           HN       CYS  61 -10.890  -9.949  19.120
  484    HA   CYS  61           HA       CYS  61 -10.591  -7.756  20.960
  485   1HB   CYS  61          2HB       CYS  61 -13.008  -9.243  19.881
  486   2HB   CYS  61          1HB       CYS  61 -13.078  -7.682  20.699
  487    H    LYS  62           HN       LYS  62 -11.527 -11.129  21.352
  488    HA   LYS  62           HA       LYS  62 -12.307 -10.624  24.191
  489   1HB   LYS  62          2HB       LYS  62 -12.506 -13.059  22.381
  490   2HB   LYS  62          1HB       LYS  62 -13.177 -12.946  24.008
  491   1HG   LYS  62          2HG       LYS  62 -14.577 -11.027  23.270
  492   2HG   LYS  62          1HG       LYS  62 -13.940 -11.214  21.636
  493   1HD   LYS  62          2HD       LYS  62 -14.810 -13.563  21.621
  494   2HD   LYS  62          1HD       LYS  62 -15.549 -13.260  23.194
  495   1HE   LYS  62          2HE       LYS  62 -17.090 -11.706  22.303
  496   2HE   LYS  62          1HE       LYS  62 -16.118 -11.445  20.843
  497   1HZ   LYS  62          3HZ       LYS  62 -16.900 -14.193  21.388
  498   2HZ   LYS  62          2HZ       LYS  62 -18.168 -13.151  20.949
  499   3HZ   LYS  62          1HZ       LYS  62 -16.839 -13.360  19.913
  500    H    GLU  63           HN       GLU  63  -9.499 -10.643  22.983
  501    HA   GLU  63           HA       GLU  63  -8.341 -12.916  24.548
  502   1HB   GLU  63          2HB       GLU  63  -7.939 -11.734  21.926
  503   2HB   GLU  63          1HB       GLU  63  -6.433 -11.739  22.840
  504   1HG   GLU  63          2HG       GLU  63  -7.215 -13.845  21.397
  505   2HG   GLU  63          1HG       GLU  63  -6.311 -14.029  22.904
  506    HA   PRO  64           HA       PRO  64  -6.655  -9.963  27.366
  507   1HB   PRO  64          2HB       PRO  64  -4.367 -11.646  27.833
  508   2HB   PRO  64          1HB       PRO  64  -5.799 -11.457  28.847
  509   1HG   PRO  64          2HG       PRO  64  -5.066 -13.724  27.255
  510   2HG   PRO  64          1HG       PRO  64  -6.520 -13.518  28.234
  511   1HD   PRO  64          2HD       PRO  64  -6.291 -13.492  25.344
  512   2HD   PRO  64          1HD       PRO  64  -7.765 -13.351  26.332
  513    H    ASN  65           HN       ASN  65  -4.683 -11.469  24.829
  514    HA   ASN  65           HA       ASN  65  -2.628  -9.355  24.964
  515   1HB   ASN  65          2HB       ASN  65  -3.120 -11.663  23.053
  516   2HB   ASN  65          1HB       ASN  65  -1.642 -10.702  23.135
  517   1HD2  ASN  65          1HD2      ASN  65  -1.381 -10.466  25.966
  518   2HD2  ASN  65          2HD2      ASN  65  -1.100 -12.008  26.619
  519    H    ALA  66           HN       ALA  66  -5.708  -9.414  23.730
  520    HA   ALA  66           HA       ALA  66  -5.659  -8.552  21.084
  521   1HB   ALA  66          1HB       ALA  66  -7.556  -8.830  22.868
  522   2HB   ALA  66          2HB       ALA  66  -7.777  -7.653  21.574
  523   3HB   ALA  66          3HB       ALA  66  -7.280  -7.117  23.180
  524    H    GLN  67           HN       GLN  67  -5.012  -6.589  23.996
  525    HA   GLN  67           HA       GLN  67  -4.716  -4.055  22.780
  526   1HB   GLN  67          2HB       GLN  67  -3.308  -5.379  25.119
  527   2HB   GLN  67          1HB       GLN  67  -3.239  -3.648  24.787
  528   1HG   GLN  67          2HG       GLN  67  -5.705  -3.524  24.946
  529   2HG   GLN  67          1HG       GLN  67  -5.766  -5.252  25.294
  530   1HE2  GLN  67          1HE2      GLN  67  -6.821  -3.575  27.236
  531   2HE2  GLN  67          2HE2      GLN  67  -5.780  -3.488  28.575
  532    H    GLU  68           HN       GLU  68  -2.321  -6.676  23.186
  533    HA   GLU  68           HA       GLU  68  -0.184  -5.142  21.900
  534   1HB   GLU  68          2HB       GLU  68  -0.532  -8.046  22.710
  535   2HB   GLU  68          1HB       GLU  68   0.984  -7.359  22.124
  536   1HG   GLU  68          2HG       GLU  68   0.929  -5.709  23.980
  537   2HG   GLU  68          1HG       GLU  68  -0.553  -6.454  24.579
  538    H    ILE  69           HN       ILE  69  -2.490  -7.670  20.948
  539    HA   ILE  69           HA       ILE  69  -1.337  -8.229  18.366
  540    HB   ILE  69           HB       ILE  69  -4.170  -8.459  19.441
  541   1HG1  ILE  69          2HG1      ILE  69  -2.014 -10.577  19.231
  542   2HG1  ILE  69          1HG1      ILE  69  -2.317  -9.651  20.701
  543   1HG2  ILE  69          3HG2      ILE  69  -2.818  -9.432  16.937
  544   2HG2  ILE  69          2HG2      ILE  69  -4.114 -10.388  17.657
  545   3HG2  ILE  69          1HG2      ILE  69  -4.426  -8.733  17.132
  546   1HD1  ILE  69          3HD1      ILE  69  -4.827 -10.428  20.237
  547   2HD1  ILE  69          2HD1      ILE  69  -4.009 -11.739  19.388
  548   3HD1  ILE  69          1HD1      ILE  69  -3.694 -11.467  21.102
  549    H    LEU  70           HN       LEU  70  -4.037  -6.117  19.388
  550    HA   LEU  70           HA       LEU  70  -4.797  -5.081  16.886
  551   1HB   LEU  70          2HB       LEU  70  -6.098  -4.615  18.815
  552   2HB   LEU  70          1HB       LEU  70  -4.707  -4.001  19.707
  553    HG   LEU  70           HG       LEU  70  -6.408  -2.286  18.735
  554   1HD1  LEU  70          1HD1      LEU  70  -3.719  -2.168  19.364
  555   2HD1  LEU  70          3HD1      LEU  70  -3.767  -1.472  17.743
  556   3HD1  LEU  70          2HD1      LEU  70  -4.746  -0.774  19.032
  557   1HD2  LEU  70          3HD2      LEU  70  -5.953  -3.623  16.410
  558   2HD2  LEU  70          2HD2      LEU  70  -6.483  -1.942  16.479
  559   3HD2  LEU  70          1HD2      LEU  70  -4.776  -2.319  16.266
  560    H    GLN  71           HN       GLN  71  -2.415  -3.655  19.170
  561    HA   GLN  71           HA       GLN  71  -1.560  -1.460  17.669
  562   1HB   GLN  71          2HB       GLN  71  -0.014  -3.405  19.409
  563   2HB   GLN  71          1HB       GLN  71   0.603  -1.830  18.910
  564   1HG   GLN  71          2HG       GLN  71  -1.321  -0.730  19.999
  565   2HG   GLN  71          1HG       GLN  71  -1.941  -2.305  20.498
  566   1HE2  GLN  71          1HE2      GLN  71  -1.127  -0.180  22.352
  567   2HE2  GLN  71          2HE2      GLN  71   0.183  -0.780  23.248
  568    H    ARG  72           HN       ARG  72  -0.158  -4.761  17.537
  569    HA   ARG  72           HA       ARG  72   1.781  -4.312  15.538
  570   1HB   ARG  72          2HB       ARG  72   0.065  -6.694  16.275
  571   2HB   ARG  72          1HB       ARG  72   1.401  -6.805  15.130
  572   1HG   ARG  72          2HG       ARG  72   2.867  -5.768  16.942
  573   2HG   ARG  72          1HG       ARG  72   1.526  -6.041  18.056
  574   1HD   ARG  72          2HD       ARG  72   2.981  -8.168  16.440
  575   2HD   ARG  72          1HD       ARG  72   3.031  -7.956  18.201
  576    HE   ARG  72           HE       ARG  72   0.313  -8.119  17.562
  577   1HH1  ARG  72          1HH1      ARG  72   3.163 -10.047  17.386
  578   2HH1  ARG  72          2HH1      ARG  72   2.304 -11.549  17.316
  579   1HH2  ARG  72          1HH2      ARG  72  -0.830 -10.064  17.364
  580   2HH2  ARG  72          2HH2      ARG  72   0.042 -11.558  17.304
  581    H    LEU  73           HN       LEU  73  -1.471  -5.741  14.994
  582    HA   LEU  73           HA       LEU  73  -1.533  -5.857  12.232
  583   1HB   LEU  73          2HB       LEU  73  -3.681  -4.893  14.149
  584   2HB   LEU  73          1HB       LEU  73  -3.985  -5.462  12.508
  585    HG   LEU  73           HG       LEU  73  -2.772  -7.066  14.778
  586   1HD1  LEU  73          1HD1      LEU  73  -5.467  -6.786  13.592
  587   2HD1  LEU  73          3HD1      LEU  73  -4.927  -8.450  13.824
  588   3HD1  LEU  73          2HD1      LEU  73  -4.997  -7.344  15.197
  589   1HD2  LEU  73          2HD2      LEU  73  -2.775  -7.418  11.842
  590   2HD2  LEU  73          1HD2      LEU  73  -1.707  -8.120  13.058
  591   3HD2  LEU  73          3HD2      LEU  73  -3.292  -8.833  12.759
  592    H    GLU  74           HN       GLU  74  -2.372  -2.971  14.181
  593    HA   GLU  74           HA       GLU  74  -2.903  -1.222  11.997
  594   1HB   GLU  74          2HB       GLU  74  -1.789  -0.624  14.754
  595   2HB   GLU  74          1HB       GLU  74  -2.663   0.504  13.719
  596   1HG   GLU  74          2HG       GLU  74  -4.602  -1.122  13.750
  597   2HG   GLU  74          1HG       GLU  74  -3.730  -2.027  14.984
  598    H    GLU  75           HN       GLU  75   0.155  -2.269  13.429
  599    HA   GLU  75           HA       GLU  75   1.767  -0.129  12.325
  600   1HB   GLU  75          2HB       GLU  75   2.345  -1.625  14.253
  601   2HB   GLU  75          1HB       GLU  75   2.505  -2.965  13.118
  602   1HG   GLU  75          2HG       GLU  75   4.242  -1.663  11.885
  603   2HG   GLU  75          1HG       GLU  75   4.125  -0.400  13.111
  604    H    ILE  76           HN       ILE  76   1.210  -3.527  11.323
  605    HA   ILE  76           HA       ILE  76   2.704  -3.307   8.863
  606    HB   ILE  76           HB       ILE  76   0.429  -5.158   9.657
  607   1HG1  ILE  76          2HG1      ILE  76   2.084  -5.263  11.387
  608   2HG1  ILE  76          1HG1      ILE  76   2.377  -6.655  10.344
  609   1HG2  ILE  76          2HG2      ILE  76   2.577  -5.232   7.541
  610   2HG2  ILE  76          1HG2      ILE  76   1.863  -6.723   8.156
  611   3HG2  ILE  76          3HG2      ILE  76   0.846  -5.519   7.364
  612   1HD1  ILE  76          1HD1      ILE  76   3.931  -4.833   9.095
  613   2HD1  ILE  76          3HD1      ILE  76   4.014  -4.202  10.740
  614   3HD1  ILE  76          2HD1      ILE  76   4.528  -5.856  10.403
  615    H    ALA  77           HN       ALA  77  -0.686  -2.834   9.748
  616    HA   ALA  77           HA       ALA  77  -1.781  -2.553   7.114
  617   1HB   ALA  77          1HB       ALA  77  -2.814  -2.755   9.537
  618   2HB   ALA  77          3HB       ALA  77  -2.742  -0.994   9.500
  619   3HB   ALA  77          2HB       ALA  77  -3.687  -1.863   8.291
  620    H    GLU  78           HN       GLU  78  -0.024  -0.361   9.224
  621    HA   GLU  78           HA       GLU  78  -0.671   2.121   7.969
  622   1HB   GLU  78          2HB       GLU  78   0.452   1.764  10.170
  623   2HB   GLU  78          1HB       GLU  78   1.892   1.211   9.316
  624   1HG   GLU  78          2HG       GLU  78   1.996   3.413   8.144
  625   2HG   GLU  78          1HG       GLU  78   0.619   3.957   9.101
  626    H    ASP  79           HN       ASP  79   1.754  -0.367   7.189
  627    HA   ASP  79           HA       ASP  79   2.034   0.746   4.484
  628   1HB   ASP  79          2HB       ASP  79   3.536   2.222   5.573
  629   2HB   ASP  79          1HB       ASP  79   4.155   0.947   6.622
  630    HA   PRO  80           HA       PRO  80   2.782  -3.500   3.600
  631   1HB   PRO  80          2HB       PRO  80   4.437  -2.825   1.348
  632   2HB   PRO  80          1HB       PRO  80   2.742  -3.318   1.339
  633   1HG   PRO  80          2HG       PRO  80   3.816  -0.713   0.805
  634   2HG   PRO  80          1HG       PRO  80   2.121  -1.202   0.820
  635   1HD   PRO  80          2HD       PRO  80   3.522   0.428   2.757
  636   2HD   PRO  80          1HD       PRO  80   1.804  -0.034   2.752
  637    H    GLY  81           HN       GLY  81   4.201  -3.703   5.511
  638   1HA   GLY  81          1HA       GLY  81   6.263  -4.234   6.532
  639   2HA   GLY  81          2HA       GLY  81   7.021  -3.107   5.403
  640    H    THR  82           HN       THR  82   7.336  -6.165   6.300
  641    HA   THR  82           HA       THR  82   8.389  -7.025   3.689
  642    HB   THR  82           HB       THR  82   9.179  -8.939   5.058
  643    HG1  THR  82          1HG       THR  82   8.144  -7.803   7.364
  644   1HG2  THR  82          1HG2      THR  82  10.216  -6.547   5.120
  645   2HG2  THR  82          3HG2      THR  82   9.546  -6.480   6.749
  646   3HG2  THR  82          2HG2      THR  82  10.726  -7.722   6.331
  647    H    CYS  83           HN       CYS  83   5.501  -7.340   5.500
  648    HA   CYS  83           HA       CYS  83   4.471  -9.867   4.847
  649   1HB   CYS  83          2HB       CYS  83   3.536  -7.849   6.209
  650   2HB   CYS  83          1HB       CYS  83   2.824  -7.347   4.676
  651    H    GLU  84           HN       GLU  84   4.167  -6.877   2.890
  652    HA   GLU  84           HA       GLU  84   2.785  -8.036   0.694
  653   1HB   GLU  84          2HB       GLU  84   3.087  -5.614   1.210
  654   2HB   GLU  84          1HB       GLU  84   4.779  -5.752   0.732
  655   1HG   GLU  84          2HG       GLU  84   3.986  -6.599  -1.513
  656   2HG   GLU  84          1HG       GLU  84   2.343  -6.197  -1.016
  657    H    ILE  85           HN       ILE  85   6.286  -7.861   1.374
  658    HA   ILE  85           HA       ILE  85   6.856  -9.130  -1.255
  659    HB   ILE  85           HB       ILE  85   9.117  -8.456  -0.802
  660   1HG1  ILE  85          2HG1      ILE  85   8.138  -8.175   2.045
  661   2HG1  ILE  85          1HG1      ILE  85   9.430  -9.212   1.444
  662   1HG2  ILE  85          3HG2      ILE  85   7.203  -6.668  -1.119
  663   2HG2  ILE  85          2HG2      ILE  85   7.595  -6.246   0.548
  664   3HG2  ILE  85          1HG2      ILE  85   8.835  -6.143  -0.703
  665   1HD1  ILE  85          2HD1      ILE  85  10.359  -6.815   0.612
  666   2HD1  ILE  85          1HD1      ILE  85   9.454  -6.298   2.034
  667   3HD1  ILE  85          3HD1      ILE  85  10.747  -7.488   2.195
  668    H    CYS  86           HN       CYS  86   5.681 -10.428   1.358
  669    HA   CYS  86           HA       CYS  86   5.907 -12.501   2.474
  670   1HB   CYS  86          2HB       CYS  86   6.853 -12.740  -0.324
  671   2HB   CYS  86          1HB       CYS  86   7.307 -14.069   0.742
  672    H    ALA  87           HN       ALA  87   8.285 -10.413   2.499
  673    HA   ALA  87           HA       ALA  87  10.702 -11.951   2.827
  674   1HB   ALA  87          2HB       ALA  87  11.025  -9.686   4.336
  675   2HB   ALA  87          3HB       ALA  87   9.680  -9.214   3.298
  676   3HB   ALA  87          1HB       ALA  87  11.206  -9.733   2.582
  677    H    TYR  88           HN       TYR  88   7.899 -11.605   4.758
  678    HA   TYR  88           HA       TYR  88   9.266 -12.987   7.027
  679   1HB   TYR  88          2HB       TYR  88   9.101 -10.482   7.349
  680   2HB   TYR  88          1HB       TYR  88   7.346 -10.651   7.285
  681    HD1  TYR  88           HD1      TYR  88  10.321 -12.132   9.036
  682    HD2  TYR  88           HD2      TYR  88   6.184 -10.996   9.276
  683    HE1  TYR  88           HE1      TYR  88  10.291 -12.745  11.439
  684    HE2  TYR  88           HE2      TYR  88   6.154 -11.609  11.678
  685    HH   TYR  88           HH       TYR  88   9.033 -12.996  13.255
  686    H    ALA  89           HN       ALA  89   7.524 -13.877   8.572
  687    HA   ALA  89           HA       ALA  89   5.535 -15.345   7.030
  688   1HB   ALA  89          1HB       ALA  89   6.276 -16.610   8.795
  689   2HB   ALA  89          2HB       ALA  89   4.960 -15.805   9.651
  690   3HB   ALA  89          3HB       ALA  89   6.609 -15.195   9.793
  691    H    ALA  90           HN       ALA  90   5.529 -12.203   7.974
  692    HA   ALA  90           HA       ALA  90   3.080 -11.754   9.331
  693   1HB   ALA  90          2HB       ALA  90   4.915 -10.267   7.504
  694   2HB   ALA  90          1HB       ALA  90   3.337  -9.551   7.831
  695   3HB   ALA  90          3HB       ALA  90   4.444  -9.894   9.161
  696    H    CYS  91           HN       CYS  91   3.742 -12.087   5.837
  697    HA   CYS  91           HA       CYS  91   0.813 -11.903   5.296
  698   1HB   CYS  91          2HB       CYS  91   3.340 -11.292   3.911
  699   2HB   CYS  91          1HB       CYS  91   2.124 -12.050   2.882
  700    H    THR  92           HN       THR  92  -0.307 -13.758   4.864
  701    HA   THR  92           HA       THR  92   1.249 -16.259   4.323
  702    HB   THR  92           HB       THR  92  -0.588 -17.381   5.375
  703    HG1  THR  92          1HG       THR  92  -1.955 -14.904   5.186
  704   1HG2  THR  92          1HG2      THR  92   0.930 -15.757   6.772
  705   2HG2  THR  92          3HG2      THR  92  -0.555 -14.821   6.942
  706   3HG2  THR  92          2HG2      THR  92  -0.489 -16.485   7.525
  707    H    GLY  93           HN       GLY  93   0.126 -17.818   2.817
  708   1HA   GLY  93          1HA       GLY  93  -1.673 -16.514   0.842
  709   2HA   GLY  93          2HA       GLY  93  -1.408 -18.250   0.990
  710    H    CYS  94           HN       CYS  94   1.520 -16.634   1.252
  711    HA   CYS  94           HA       CYS  94   2.092 -16.265  -1.589
  712   1HB   CYS  94          2HB       CYS  94   3.223 -15.675   0.989
  713   2HB   CYS  94          1HB       CYS  94   4.453 -16.449  -0.012

  No H/Q in entry =         713
  Start of MODEL   18
    1    H1   VAL   1          3H        VAL   1  -2.317 -12.289   0.351
    2    H2   VAL   1          2H        VAL   1  -1.034 -12.933  -0.558
    3    H3   VAL   1          1H        VAL   1  -1.695 -13.821   0.731
    4    HA   VAL   1           HA       VAL   1   0.130 -12.994   1.803
    5    HB   VAL   1           HB       VAL   1   0.970 -10.676   1.061
    6   1HG1  VAL   1          1HG1      VAL   1   0.809 -13.053  -0.800
    7   2HG1  VAL   1          3HG1      VAL   1   1.788 -11.635  -1.170
    8   3HG1  VAL   1          2HG1      VAL   1   2.138 -12.597   0.266
    9   1HG2  VAL   1          1HG2      VAL   1  -1.438 -10.343  -0.029
   10   2HG2  VAL   1          3HG2      VAL   1  -0.004  -9.606  -0.745
   11   3HG2  VAL   1          2HG2      VAL   1  -0.654 -11.103  -1.414
   12    H    THR   2           HN       THR   2  -1.289 -12.913   3.655
   13    HA   THR   2           HA       THR   2  -2.314 -10.161   4.283
   14    HB   THR   2           HB       THR   2  -4.074 -11.841   3.644
   15    HG1  THR   2          1HG       THR   2  -5.120 -11.623   5.873
   16   1HG2  THR   2          1HG2      THR   2  -2.499 -13.556   5.175
   17   2HG2  THR   2          3HG2      THR   2  -3.931 -13.285   6.169
   18   3HG2  THR   2          2HG2      THR   2  -4.101 -13.914   4.531
   19    H    VAL   3           HN       VAL   3  -2.506  -9.800   6.665
   20    HA   VAL   3           HA       VAL   3  -0.146 -10.812   8.083
   21    HB   VAL   3           HB       VAL   3  -2.434  -8.927   8.712
   22   1HG1  VAL   3          3HG1      VAL   3  -1.520 -10.187  10.746
   23   2HG1  VAL   3          2HG1      VAL   3   0.011  -9.369  10.437
   24   3HG1  VAL   3          1HG1      VAL   3  -1.431  -8.427  10.819
   25   1HG2  VAL   3          1HG2      VAL   3   0.519  -8.585   8.125
   26   2HG2  VAL   3          3HG2      VAL   3  -0.835  -8.031   7.141
   27   3HG2  VAL   3          2HG2      VAL   3  -0.516  -7.280   8.704
   28    H    GLN   4           HN       GLN   4  -0.308 -12.883   8.923
   29    HA   GLN   4           HA       GLN   4  -2.932 -13.706  10.107
   30   1HB   GLN   4          2HB       GLN   4  -2.048 -15.049   8.243
   31   2HB   GLN   4          1HB       GLN   4  -0.536 -15.290   9.120
   32   1HG   GLN   4          2HG       GLN   4  -1.884 -16.357  10.973
   33   2HG   GLN   4          1HG       GLN   4  -3.290 -16.281   9.910
   34   1HE2  GLN   4          1HE2      GLN   4  -3.567 -18.052   8.536
   35   2HE2  GLN   4          2HE2      GLN   4  -2.356 -19.176   8.147
   36    H    ASP   5           HN       ASP   5  -2.995 -13.666  12.303
   37    HA   ASP   5           HA       ASP   5  -0.444 -13.739  13.844
   38   1HB   ASP   5          2HB       ASP   5  -3.318 -13.017  14.509
   39   2HB   ASP   5          1HB       ASP   5  -1.998 -12.965  15.677
   40    H    GLY   6           HN       GLY   6  -2.517 -15.958  12.653
   41   1HA   GLY   6          1HA       GLY   6  -3.380 -17.548  14.822
   42   2HA   GLY   6          2HA       GLY   6  -1.728 -18.042  14.449
   43    H    ASN   7           HN       ASN   7  -4.483 -19.340  14.015
   44    HA   ASN   7           HA       ASN   7  -3.851 -20.492  11.399
   45   1HB   ASN   7          2HB       ASN   7  -4.805 -21.586  13.550
   46   2HB   ASN   7          1HB       ASN   7  -6.351 -20.909  13.042
   47   1HD2  ASN   7          1HD2      ASN   7  -6.820 -23.399  12.903
   48   2HD2  ASN   7          2HD2      ASN   7  -6.480 -24.149  11.419
   49    H    PHE   8           HN       PHE   8  -5.376 -17.662  12.256
   50    HA   PHE   8           HA       PHE   8  -7.328 -17.822   9.985
   51   1HB   PHE   8          2HB       PHE   8  -7.171 -16.030  12.431
   52   2HB   PHE   8          1HB       PHE   8  -8.442 -15.961  11.210
   53    HD1  PHE   8           HD1      PHE   8  -6.962 -17.978  13.928
   54    HD2  PHE   8           HD2      PHE   8 -10.142 -17.686  11.056
   55    HE1  PHE   8           HE1      PHE   8  -8.177 -19.802  15.089
   56    HE2  PHE   8           HE2      PHE   8 -11.357 -19.511  12.217
   57    HZ   PHE   8           HZ       PHE   8 -10.374 -20.569  14.232
   58    H    SER   9           HN       SER   9  -7.091 -16.378   8.292
   59    HA   SER   9           HA       SER   9  -4.637 -14.732   8.213
   60   1HB   SER   9          2HB       SER   9  -6.820 -15.429   6.225
   61   2HB   SER   9          1HB       SER   9  -5.398 -14.468   5.822
   62    HG   SER   9           HG       SER   9  -5.626 -17.179   6.400
   63    H    PHE  10           HN       PHE  10  -4.672 -12.541   8.600
   64    HA   PHE  10           HA       PHE  10  -7.343 -11.185   8.713
   65   1HB   PHE  10          2HB       PHE  10  -4.682 -10.652  10.071
   66   2HB   PHE  10          1HB       PHE  10  -6.107  -9.632  10.258
   67    HD1  PHE  10           HD1      PHE  10  -8.256 -10.704  11.139
   68    HD2  PHE  10           HD2      PHE  10  -4.415 -12.614  11.366
   69    HE1  PHE  10           HE1      PHE  10  -9.110 -12.216  12.906
   70    HE2  PHE  10           HE2      PHE  10  -5.272 -14.127  13.134
   71    HZ   PHE  10           HZ       PHE  10  -7.621 -13.928  13.905
   72    H    SER  11           HN       SER  11  -7.694  -9.844   6.982
   73    HA   SER  11           HA       SER  11  -5.593  -9.027   5.164
   74   1HB   SER  11          2HB       SER  11  -7.415  -7.917   4.036
   75   2HB   SER  11          1HB       SER  11  -8.067  -9.411   4.709
   76    HG   SER  11           HG       SER  11  -8.892  -6.957   5.149
   77    H    LEU  12           HN       LEU  12  -5.233  -6.622   4.681
   78    HA   LEU  12           HA       LEU  12  -4.778  -5.189   7.253
   79   1HB   LEU  12          2HB       LEU  12  -3.768  -4.688   4.434
   80   2HB   LEU  12          1HB       LEU  12  -3.168  -3.918   5.903
   81    HG   LEU  12           HG       LEU  12  -3.049  -6.882   5.262
   82   1HD1  LEU  12          2HD1      LEU  12  -1.206  -4.608   4.919
   83   2HD1  LEU  12          1HD1      LEU  12  -0.494  -5.993   5.747
   84   3HD1  LEU  12          3HD1      LEU  12  -1.197  -6.191   4.141
   85   1HD2  LEU  12          1HD2      LEU  12  -3.006  -5.468   7.767
   86   2HD2  LEU  12          3HD2      LEU  12  -2.837  -7.201   7.481
   87   3HD2  LEU  12          2HD2      LEU  12  -1.411  -6.162   7.469
   88    H    GLU  13           HN       GLU  13  -7.181  -5.307   4.999
   89    HA   GLU  13           HA       GLU  13  -7.611  -2.472   4.487
   90   1HB   GLU  13          2HB       GLU  13  -8.365  -4.422   3.078
   91   2HB   GLU  13          1HB       GLU  13  -9.537  -4.811   4.336
   92   1HG   GLU  13          2HG       GLU  13 -10.520  -2.541   4.088
   93   2HG   GLU  13          1HG       GLU  13  -9.379  -2.209   2.784
   94    H    SER  14           HN       SER  14  -9.814  -4.724   6.205
   95    HA   SER  14           HA       SER  14 -11.378  -2.919   7.585
   96   1HB   SER  14          2HB       SER  14 -10.165  -5.371   8.879
   97   2HB   SER  14          1HB       SER  14 -11.780  -4.709   9.126
   98    HG   SER  14           HG       SER  14 -11.885  -6.462   7.727
   99    H    VAL  15           HN       VAL  15  -8.220  -4.169   8.760
  100    HA   VAL  15           HA       VAL  15  -8.122  -2.637  11.150
  101    HB   VAL  15           HB       VAL  15  -5.609  -3.008  10.811
  102   1HG1  VAL  15          1HG1      VAL  15  -7.630  -4.673  11.614
  103   2HG1  VAL  15          3HG1      VAL  15  -6.882  -5.632  10.335
  104   3HG1  VAL  15          2HG1      VAL  15  -5.915  -5.082  11.704
  105   1HG2  VAL  15          3HG2      VAL  15  -6.650  -3.673   8.150
  106   2HG2  VAL  15          2HG2      VAL  15  -5.001  -3.310   8.650
  107   3HG2  VAL  15          1HG2      VAL  15  -5.638  -4.944   8.832
  108    H    LYS  16           HN       LYS  16  -6.780  -1.873   7.900
  109    HA   LYS  16           HA       LYS  16  -5.699   0.672   8.512
  110   1HB   LYS  16          2HB       LYS  16  -5.371  -0.503   6.385
  111   2HB   LYS  16          1HB       LYS  16  -7.093  -0.388   6.026
  112   1HG   LYS  16          2HG       LYS  16  -6.878   2.112   6.079
  113   2HG   LYS  16          1HG       LYS  16  -5.136   1.917   6.274
  114   1HD   LYS  16          2HD       LYS  16  -4.997   0.732   4.139
  115   2HD   LYS  16          1HD       LYS  16  -6.749   0.800   3.957
  116   1HE   LYS  16          2HE       LYS  16  -6.636   2.899   3.100
  117   2HE   LYS  16          1HE       LYS  16  -5.628   3.452   4.450
  118   1HZ   LYS  16          2HZ       LYS  16  -3.870   1.934   3.261
  119   2HZ   LYS  16          1HZ       LYS  16  -4.824   2.250   1.891
  120   3HZ   LYS  16          3HZ       LYS  16  -4.115   3.534   2.742
  121    H    LYS  17           HN       LYS  17  -8.946  -0.061   7.171
  122    HA   LYS  17           HA       LYS  17  -9.920   2.640   7.760
  123   1HB   LYS  17          2HB       LYS  17 -11.254   0.065   6.851
  124   2HB   LYS  17          1HB       LYS  17 -12.031   1.649   6.862
  125   1HG   LYS  17          2HG       LYS  17 -10.275   2.496   5.322
  126   2HG   LYS  17          1HG       LYS  17  -9.555   0.886   5.280
  127   1HD   LYS  17          2HD       LYS  17 -11.729  -0.011   4.430
  128   2HD   LYS  17          1HD       LYS  17 -12.348   1.638   4.365
  129   1HE   LYS  17          2HE       LYS  17 -11.142   2.141   2.480
  130   2HE   LYS  17          1HE       LYS  17  -9.732   1.209   3.021
  131   1HZ   LYS  17          2HZ       LYS  17 -12.286  -0.106   2.297
  132   2HZ   LYS  17          1HZ       LYS  17 -11.114   0.242   1.117
  133   3HZ   LYS  17          3HZ       LYS  17 -10.736  -0.795   2.404
  134    H    LEU  18           HN       LEU  18  -9.096   0.344   9.850
  135    HA   LEU  18           HA       LEU  18 -11.360  -0.352  11.393
  136   1HB   LEU  18          2HB       LEU  18  -9.094  -1.283  11.600
  137   2HB   LEU  18          1HB       LEU  18  -8.489   0.275  12.158
  138    HG   LEU  18           HG       LEU  18  -9.875   0.148  14.156
  139   1HD1  LEU  18          1HD1      LEU  18 -10.991  -2.262  12.735
  140   2HD1  LEU  18          3HD1      LEU  18 -11.077  -2.145  14.492
  141   3HD1  LEU  18          2HD1      LEU  18 -11.858  -0.924  13.488
  142   1HD2  LEU  18          1HD2      LEU  18  -7.646  -1.308  13.748
  143   2HD2  LEU  18          3HD2      LEU  18  -8.538  -1.366  15.270
  144   3HD2  LEU  18          2HD2      LEU  18  -8.776  -2.627  14.060
  145    H    LYS  19           HN       LYS  19  -9.362   2.603  11.417
  146    HA   LYS  19           HA       LYS  19 -10.347   3.816  13.777
  147   1HB   LYS  19          2HB       LYS  19  -8.481   4.621  12.340
  148   2HB   LYS  19          1HB       LYS  19  -9.654   5.095  11.110
  149   1HG   LYS  19          2HG       LYS  19 -10.725   6.625  12.733
  150   2HG   LYS  19          1HG       LYS  19  -9.538   6.159  13.950
  151   1HD   LYS  19          2HD       LYS  19  -7.731   6.961  12.399
  152   2HD   LYS  19          1HD       LYS  19  -8.988   7.564  11.321
  153   1HE   LYS  19          2HE       LYS  19  -9.737   9.168  12.922
  154   2HE   LYS  19          1HE       LYS  19  -8.850   8.377  14.239
  155   1HZ   LYS  19          3HZ       LYS  19  -7.304   9.142  11.888
  156   2HZ   LYS  19          2HZ       LYS  19  -7.858  10.422  12.859
  157   3HZ   LYS  19          1HZ       LYS  19  -6.878   9.207  13.529
  158    H    ASP  20           HN       ASP  20 -11.697   3.891  10.470
  159    HA   ASP  20           HA       ASP  20 -14.117   5.291  11.503
  160   1HB   ASP  20          2HB       ASP  20 -13.037   4.654   8.742
  161   2HB   ASP  20          1HB       ASP  20 -14.564   5.488   9.022
  162    H    LEU  21           HN       LEU  21 -15.600   3.829  12.304
  163    HA   LEU  21           HA       LEU  21 -15.785   1.072  11.549
  164   1HB   LEU  21          2HB       LEU  21 -17.750   3.012  12.809
  165   2HB   LEU  21          1HB       LEU  21 -17.965   1.262  12.781
  166    HG   LEU  21           HG       LEU  21 -15.599   2.709  14.011
  167   1HD1  LEU  21          1HD1      LEU  21 -17.955   2.823  15.130
  168   2HD1  LEU  21          3HD1      LEU  21 -17.678   1.122  15.500
  169   3HD1  LEU  21          2HD1      LEU  21 -16.572   2.349  16.117
  170   1HD2  LEU  21          2HD2      LEU  21 -15.946   0.025  13.121
  171   2HD2  LEU  21          1HD2      LEU  21 -14.591   0.697  14.026
  172   3HD2  LEU  21          3HD2      LEU  21 -15.966   0.002  14.885
  173    H    GLN  22           HN       GLN  22 -17.454   3.986  10.383
  174    HA   GLN  22           HA       GLN  22 -19.469   2.734   8.807
  175   1HB   GLN  22          2HB       GLN  22 -18.663   5.274   9.452
  176   2HB   GLN  22          1HB       GLN  22 -18.210   5.191   7.750
  177   1HG   GLN  22          2HG       GLN  22 -20.420   5.884   7.565
  178   2HG   GLN  22          1HG       GLN  22 -20.625   4.134   7.493
  179   1HE2  GLN  22          1HE2      GLN  22 -21.911   3.183   9.112
  180   2HE2  GLN  22          2HE2      GLN  22 -22.480   4.002  10.486
  181    H    GLU  23           HN       GLU  23 -19.404   1.797   6.772
  182    HA   GLU  23           HA       GLU  23 -17.513   2.262   4.720
  183   1HB   GLU  23          2HB       GLU  23 -16.567   0.719   6.991
  184   2HB   GLU  23          1HB       GLU  23 -16.476  -0.233   5.508
  185   1HG   GLU  23          2HG       GLU  23 -14.747   0.996   4.737
  186   2HG   GLU  23          1HG       GLU  23 -15.599   2.505   5.061
  187    HA   PRO  24           HA       PRO  24 -20.164  -0.439   2.506
  188   1HB   PRO  24          2HB       PRO  24 -18.062  -1.810   1.100
  189   2HB   PRO  24          1HB       PRO  24 -19.072  -0.484   0.521
  190   1HG   PRO  24          2HG       PRO  24 -16.293  -0.399   1.229
  191   2HG   PRO  24          1HG       PRO  24 -17.307   0.931   0.668
  192   1HD   PRO  24          2HD       PRO  24 -16.270   0.483   3.330
  193   2HD   PRO  24          1HD       PRO  24 -17.269   1.840   2.758
  194    H    GLN  25           HN       GLN  25 -20.836  -2.704   2.384
  195    HA   GLN  25           HA       GLN  25 -20.410  -4.297   4.652
  196   1HB   GLN  25          2HB       GLN  25 -21.108  -5.052   1.796
  197   2HB   GLN  25          1HB       GLN  25 -21.353  -6.105   3.190
  198   1HG   GLN  25          2HG       GLN  25 -22.850  -4.442   4.205
  199   2HG   GLN  25          1HG       GLN  25 -22.577  -3.349   2.848
  200   1HE2  GLN  25          1HE2      GLN  25 -25.199  -4.386   3.537
  201   2HE2  GLN  25          2HE2      GLN  25 -25.714  -5.375   2.256
  202    H    GLU  26           HN       GLU  26 -18.582  -4.203   1.627
  203    HA   GLU  26           HA       GLU  26 -16.592  -5.319   0.989
  204   1HB   GLU  26          2HB       GLU  26 -16.165  -3.792   3.087
  205   2HB   GLU  26          1HB       GLU  26 -15.964  -5.327   3.931
  206   1HG   GLU  26          2HG       GLU  26 -13.790  -5.027   3.227
  207   2HG   GLU  26          1HG       GLU  26 -14.424  -5.844   1.799
  208    HA   PRO  27           HA       PRO  27 -18.395  -9.345   2.734
  209   1HB   PRO  27          2HB       PRO  27 -18.812 -10.134   0.000
  210   2HB   PRO  27          1HB       PRO  27 -20.030  -9.830   1.240
  211   1HG   PRO  27          2HG       PRO  27 -19.409  -8.215  -1.051
  212   2HG   PRO  27          1HG       PRO  27 -20.618  -7.905   0.198
  213   1HD   PRO  27          2HD       PRO  27 -18.104  -6.539  -0.223
  214   2HD   PRO  27          1HD       PRO  27 -19.333  -6.211   1.022
  215    H    ARG  28           HN       ARG  28 -16.217  -8.434   0.127
  216    HA   ARG  28           HA       ARG  28 -14.412 -10.685   0.888
  217   1HB   ARG  28          2HB       ARG  28 -15.397  -9.959  -1.890
  218   2HB   ARG  28          1HB       ARG  28 -14.096 -11.106  -1.573
  219   1HG   ARG  28          2HG       ARG  28 -15.683 -12.439  -0.166
  220   2HG   ARG  28          1HG       ARG  28 -16.974 -11.336  -0.642
  221   1HD   ARG  28          2HD       ARG  28 -16.473 -11.908  -3.054
  222   2HD   ARG  28          1HD       ARG  28 -15.354 -13.151  -2.463
  223    HE   ARG  28           HE       ARG  28 -18.135 -13.160  -1.401
  224   1HH1  ARG  28          1HH1      ARG  28 -17.651 -14.085  -4.334
  225   2HH1  ARG  28          2HH1      ARG  28 -17.561 -15.798  -4.097
  226   1HH2  ARG  28          1HH2      ARG  28 -17.159 -15.570  -0.660
  227   2HH2  ARG  28          2HH2      ARG  28 -17.282 -16.640  -2.018
  228    H    VAL  29           HN       VAL  29 -12.164 -10.263   0.211
  229    HA   VAL  29           HA       VAL  29 -11.631  -7.337  -0.170
  230    HB   VAL  29           HB       VAL  29  -9.923  -9.528   1.055
  231   1HG1  VAL  29          2HG1      VAL  29  -8.792  -7.459   0.068
  232   2HG1  VAL  29          1HG1      VAL  29  -9.636  -6.527   1.305
  233   3HG1  VAL  29          3HG1      VAL  29  -8.474  -7.768   1.775
  234   1HG2  VAL  29          3HG2      VAL  29 -11.652  -7.394   2.344
  235   2HG2  VAL  29          2HG2      VAL  29 -11.943  -9.133   2.388
  236   3HG2  VAL  29          1HG2      VAL  29 -10.540  -8.452   3.213
  237    H    GLY  30           HN       GLY  30 -10.557  -6.758  -2.026
  238   1HA   GLY  30          1HA       GLY  30 -10.027  -7.434  -4.337
  239   2HA   GLY  30          2HA       GLY  30  -9.415  -8.958  -3.694
  240    H    LYS  31           HN       LYS  31  -8.807  -5.438  -3.545
  241    HA   LYS  31           HA       LYS  31  -5.904  -5.965  -3.787
  242   1HB   LYS  31          2HB       LYS  31  -7.638  -3.476  -3.788
  243   2HB   LYS  31          1HB       LYS  31  -5.893  -3.454  -4.034
  244   1HG   LYS  31          2HG       LYS  31  -6.201  -5.026  -5.962
  245   2HG   LYS  31          1HG       LYS  31  -7.946  -4.877  -5.755
  246   1HD   LYS  31          2HD       LYS  31  -7.740  -2.414  -6.077
  247   2HD   LYS  31          1HD       LYS  31  -6.014  -2.622  -6.378
  248   1HE   LYS  31          2HE       LYS  31  -6.831  -4.366  -8.186
  249   2HE   LYS  31          1HE       LYS  31  -8.346  -3.448  -8.090
  250   1HZ   LYS  31          1HZ       LYS  31  -5.737  -2.069  -8.274
  251   2HZ   LYS  31          3HZ       LYS  31  -6.515  -2.614  -9.679
  252   3HZ   LYS  31          2HZ       LYS  31  -7.280  -1.480  -8.671
  253    H    LEU  32           HN       LEU  32  -4.376  -5.140  -2.227
  254    HA   LEU  32           HA       LEU  32  -5.496  -4.950   0.529
  255   1HB   LEU  32          2HB       LEU  32  -2.717  -5.434  -0.591
  256   2HB   LEU  32          1HB       LEU  32  -3.107  -5.422   1.128
  257    HG   LEU  32           HG       LEU  32  -4.886  -7.198   0.549
  258   1HD1  LEU  32          3HD1      LEU  32  -3.398  -6.896  -2.022
  259   2HD1  LEU  32          2HD1      LEU  32  -3.857  -8.527  -1.535
  260   3HD1  LEU  32          1HD1      LEU  32  -5.095  -7.290  -1.747
  261   1HD2  LEU  32          1HD2      LEU  32  -1.906  -7.703   0.366
  262   2HD2  LEU  32          3HD2      LEU  32  -2.940  -7.847   1.788
  263   3HD2  LEU  32          2HD2      LEU  32  -3.089  -9.008   0.468
  264    H    ARG  33           HN       ARG  33  -5.289  -3.083   1.729
  265    HA   ARG  33           HA       ARG  33  -3.889  -0.767   0.439
  266   1HB   ARG  33          2HB       ARG  33  -6.231  -0.980   2.360
  267   2HB   ARG  33          1HB       ARG  33  -5.528   0.548   1.829
  268   1HG   ARG  33          2HG       ARG  33  -5.986  -0.124  -0.541
  269   2HG   ARG  33          1HG       ARG  33  -6.811  -1.560   0.067
  270   1HD   ARG  33          2HD       ARG  33  -8.502   0.139  -0.348
  271   2HD   ARG  33          1HD       ARG  33  -8.309   0.008   1.411
  272    HE   ARG  33           HE       ARG  33  -6.551   1.931   1.025
  273   1HH1  ARG  33          1HH1      ARG  33  -8.233   1.620  -1.776
  274   2HH1  ARG  33          2HH1      ARG  33  -8.986   3.179  -1.747
  275   1HH2  ARG  33          1HH2      ARG  33  -8.049   3.865   1.520
  276   2HH2  ARG  33          2HH2      ARG  33  -8.882   4.449   0.118
  277    H    ASN  34           HN       ASN  34  -2.327   0.325   1.675
  278    HA   ASN  34           HA       ASN  34  -1.882  -0.708   4.457
  279   1HB   ASN  34          2HB       ASN  34   0.087   0.056   2.278
  280   2HB   ASN  34          1HB       ASN  34   0.546  -0.392   3.920
  281   1HD2  ASN  34          1HD2      ASN  34   1.201  -1.875   1.421
  282   2HD2  ASN  34          2HD2      ASN  34   0.518  -3.419   1.598
  283    H    PHE  35           HN       PHE  35  -2.567   0.994   5.741
  284    HA   PHE  35           HA       PHE  35  -1.051   3.416   5.896
  285   1HB   PHE  35          2HB       PHE  35  -2.229   3.787   3.726
  286   2HB   PHE  35          1HB       PHE  35  -3.771   3.644   4.569
  287    HD1  PHE  35           HD1      PHE  35  -0.660   5.656   4.304
  288    HD2  PHE  35           HD2      PHE  35  -4.645   5.441   5.892
  289    HE1  PHE  35           HE1      PHE  35  -0.534   8.048   4.944
  290    HE2  PHE  35           HE2      PHE  35  -4.518   7.833   6.533
  291    HZ   PHE  35           HZ       PHE  35  -2.462   9.137   6.059
  292    H    ALA  36           HN       ALA  36  -1.557   2.033   8.022
  293    HA   ALA  36           HA       ALA  36  -4.121   2.266   9.284
  294   1HB   ALA  36          1HB       ALA  36  -2.993   1.323  11.110
  295   2HB   ALA  36          2HB       ALA  36  -1.508   2.212  10.771
  296   3HB   ALA  36          3HB       ALA  36  -1.963   0.838   9.762
  297    HA   PRO  37           HA       PRO  37  -4.217   6.529  10.402
  298   1HB   PRO  37          2HB       PRO  37  -5.618   5.949  12.845
  299   2HB   PRO  37          1HB       PRO  37  -6.288   6.532  11.320
  300   1HG   PRO  37          2HG       PRO  37  -6.569   3.925  12.479
  301   2HG   PRO  37          1HG       PRO  37  -7.214   4.498  10.940
  302   1HD   PRO  37          2HD       PRO  37  -5.028   2.651  11.384
  303   2HD   PRO  37          1HD       PRO  37  -5.712   3.187   9.832
  304    H    ILE  38           HN       ILE  38  -3.208   4.091  12.742
  305    HA   ILE  38           HA       ILE  38  -0.787   5.062  13.559
  306    HB   ILE  38           HB       ILE  38  -2.983   6.839  14.371
  307   1HG1  ILE  38          2HG1      ILE  38  -1.395   8.451  14.062
  308   2HG1  ILE  38          1HG1      ILE  38  -0.166   7.550  14.944
  309   1HG2  ILE  38          2HG2      ILE  38  -1.083   5.743  16.446
  310   2HG2  ILE  38          1HG2      ILE  38  -1.847   7.323  16.615
  311   3HG2  ILE  38          3HG2      ILE  38  -2.840   5.869  16.533
  312   1HD1  ILE  38          1HD1      ILE  38  -0.989   6.421  12.313
  313   2HD1  ILE  38          3HD1      ILE  38  -0.068   7.921  12.272
  314   3HD1  ILE  38          2HD1      ILE  38   0.606   6.496  13.058
  315    HA   PRO  39           HA       PRO  39  -1.800   1.337  15.864
  316   1HB   PRO  39          2HB       PRO  39   0.950   1.287  16.709
  317   2HB   PRO  39          1HB       PRO  39   0.168   0.274  15.495
  318   1HG   PRO  39          2HG       PRO  39   2.060   2.387  15.069
  319   2HG   PRO  39          1HG       PRO  39   1.260   1.389  13.852
  320   1HD   PRO  39          2HD       PRO  39   0.783   4.176  14.461
  321   2HD   PRO  39          1HD       PRO  39  -0.001   3.177  13.214
  322    H    GLY  40           HN       GLY  40  -1.913   0.855  18.161
  323   1HA   GLY  40          1HA       GLY  40  -0.973   3.009  19.993
  324   2HA   GLY  40          2HA       GLY  40  -1.398   1.371  20.489
  325    H    GLU  41           HN       GLU  41  -3.695   2.263  18.292
  326    HA   GLU  41           HA       GLU  41  -5.384   4.047  19.786
  327   1HB   GLU  41          2HB       GLU  41  -5.323   2.641  17.306
  328   2HB   GLU  41          1HB       GLU  41  -6.863   2.270  18.082
  329   1HG   GLU  41          2HG       GLU  41  -7.637   4.314  17.549
  330   2HG   GLU  41          1HG       GLU  41  -6.315   5.059  18.446
  331    HA   PRO  42           HA       PRO  42  -6.868   1.311  22.935
  332   1HB   PRO  42          2HB       PRO  42  -9.366   2.733  23.039
  333   2HB   PRO  42          1HB       PRO  42  -7.992   2.868  24.138
  334   1HG   PRO  42          2HG       PRO  42  -8.882   4.775  22.182
  335   2HG   PRO  42          1HG       PRO  42  -7.504   4.909  23.279
  336   1HD   PRO  42          2HD       PRO  42  -7.463   4.480  20.423
  337   2HD   PRO  42          1HD       PRO  42  -6.074   4.621  21.527
  338    H    VAL  43           HN       VAL  43  -7.444  -0.701  22.101
  339    HA   VAL  43           HA       VAL  43 -10.107  -0.892  20.747
  340    HB   VAL  43           HB       VAL  43  -7.496  -2.225  19.957
  341   1HG1  VAL  43          2HG1      VAL  43  -9.574  -3.601  19.604
  342   2HG1  VAL  43          1HG1      VAL  43 -10.199  -2.305  18.584
  343   3HG1  VAL  43          3HG1      VAL  43  -8.742  -3.179  18.108
  344   1HG2  VAL  43          3HG2      VAL  43  -8.928   0.224  19.092
  345   2HG2  VAL  43          2HG2      VAL  43  -7.213  -0.173  18.988
  346   3HG2  VAL  43          1HG2      VAL  43  -8.340  -0.812  17.791
  347    H    VAL  44           HN       VAL  44 -11.292  -2.720  21.333
  348    HA   VAL  44           HA       VAL  44 -11.912  -4.591  22.625
  349    HB   VAL  44           HB       VAL  44  -8.958  -5.002  22.120
  350   1HG1  VAL  44          2HG1      VAL  44 -10.907  -6.626  23.699
  351   2HG1  VAL  44          1HG1      VAL  44  -9.775  -7.484  22.655
  352   3HG1  VAL  44          3HG1      VAL  44  -9.170  -6.426  23.928
  353   1HG2  VAL  44          1HG2      VAL  44 -11.519  -5.658  20.770
  354   2HG2  VAL  44          3HG2      VAL  44  -9.930  -5.347  20.074
  355   3HG2  VAL  44          2HG2      VAL  44 -10.297  -6.929  20.761
  356    HA   PRO  45           HA       PRO  45 -10.032  -2.330  26.361
  357   1HB   PRO  45          2HB       PRO  45 -12.725  -1.595  27.061
  358   2HB   PRO  45          1HB       PRO  45 -11.394  -0.530  26.601
  359   1HG   PRO  45          2HG       PRO  45 -13.732  -1.190  25.071
  360   2HG   PRO  45          1HG       PRO  45 -12.396  -0.133  24.607
  361   1HD   PRO  45          2HD       PRO  45 -13.009  -2.770  23.593
  362   2HD   PRO  45          1HD       PRO  45 -11.675  -1.696  23.114
  363    H    ILE  46           HN       ILE  46 -13.108  -4.082  25.939
  364    HA   ILE  46           HA       ILE  46 -12.376  -5.819  28.269
  365    HB   ILE  46           HB       ILE  46 -15.135  -4.760  27.574
  366   1HG1  ILE  46          2HG1      ILE  46 -13.676  -2.908  28.253
  367   2HG1  ILE  46          1HG1      ILE  46 -14.824  -3.273  29.542
  368   1HG2  ILE  46          2HG2      ILE  46 -13.975  -6.413  29.813
  369   2HG2  ILE  46          1HG2      ILE  46 -15.444  -5.467  30.058
  370   3HG2  ILE  46          3HG2      ILE  46 -15.404  -6.735  28.833
  371   1HD1  ILE  46          3HD1      ILE  46 -12.533  -4.938  29.914
  372   2HD1  ILE  46          2HD1      ILE  46 -11.964  -3.287  29.661
  373   3HD1  ILE  46          1HD1      ILE  46 -13.111  -3.636  30.955
  374    H    LEU  47           HN       LEU  47 -13.955  -5.439  25.147
  375    HA   LEU  47           HA       LEU  47 -13.516  -8.150  24.342
  376   1HB   LEU  47          2HB       LEU  47 -15.882  -8.938  24.531
  377   2HB   LEU  47          1HB       LEU  47 -15.164  -8.602  26.106
  378    HG   LEU  47           HG       LEU  47 -16.301  -6.173  25.110
  379   1HD1  LEU  47          3HD1      LEU  47 -17.642  -7.980  23.782
  380   2HD1  LEU  47          2HD1      LEU  47 -18.396  -8.323  25.338
  381   3HD1  LEU  47          1HD1      LEU  47 -18.533  -6.715  24.627
  382   1HD2  LEU  47          1HD2      LEU  47 -16.353  -7.902  27.460
  383   2HD2  LEU  47          3HD2      LEU  47 -16.482  -6.146  27.362
  384   3HD2  LEU  47          2HD2      LEU  47 -17.920  -7.147  27.164
  385    H    CYS  48           HN       CYS  48 -12.930  -6.910  22.424
  386    HA   CYS  48           HA       CYS  48 -13.370  -5.975  20.298
  387   1HB   CYS  48          2HB       CYS  48 -15.618  -7.701  21.091
  388   2HB   CYS  48          1HB       CYS  48 -16.045  -6.507  19.865
  389    H    SER  49           HN       SER  49 -13.375  -3.748  20.288
  390    HA   SER  49           HA       SER  49 -15.505  -2.281  21.750
  391   1HB   SER  49          2HB       SER  49 -13.972  -0.517  21.751
  392   2HB   SER  49          1HB       SER  49 -12.895  -1.914  21.735
  393    HG   SER  49           HG       SER  49 -12.203  -1.283  19.877
  394    H    ASN  50           HN       ASN  50 -13.980  -2.191  18.521
  395    HA   ASN  50           HA       ASN  50 -16.134  -0.565  17.397
  396   1HB   ASN  50          2HB       ASN  50 -13.533  -1.751  16.605
  397   2HB   ASN  50          1HB       ASN  50 -14.678  -1.483  15.291
  398   1HD2  ASN  50          1HD2      ASN  50 -12.557   0.127  15.032
  399   2HD2  ASN  50          2HD2      ASN  50 -12.862   1.704  15.579
  400    HA   PRO  51           HA       PRO  51 -18.586  -4.316  16.735
  401   1HB   PRO  51          2HB       PRO  51 -20.610  -2.599  15.626
  402   2HB   PRO  51          1HB       PRO  51 -20.606  -3.396  17.202
  403   1HG   PRO  51          2HG       PRO  51 -20.311  -0.608  16.667
  404   2HG   PRO  51          1HG       PRO  51 -20.201  -1.417  18.232
  405   1HD   PRO  51          2HD       PRO  51 -18.052  -0.275  16.629
  406   2HD   PRO  51          1HD       PRO  51 -17.973  -0.942  18.274
  407    H    ASN  52           HN       ASN  52 -17.424  -1.914  14.557
  408    HA   ASN  52           HA       ASN  52 -18.242  -3.573  12.195
  409   1HB   ASN  52          2HB       ASN  52 -17.566  -0.637  12.546
  410   2HB   ASN  52          1HB       ASN  52 -17.839  -1.390  10.974
  411   1HD2  ASN  52          1HD2      ASN  52 -19.574   0.673  11.884
  412   2HD2  ASN  52          2HD2      ASN  52 -21.098   0.003  12.214
  413    H    PHE  53           HN       PHE  53 -15.781  -3.693  14.103
  414    HA   PHE  53           HA       PHE  53 -13.522  -3.014  12.356
  415   1HB   PHE  53          2HB       PHE  53 -12.233  -3.622  14.229
  416   2HB   PHE  53          1HB       PHE  53 -13.743  -3.109  14.981
  417    HD1  PHE  53           HD1      PHE  53 -15.581  -5.281  14.687
  418    HD2  PHE  53           HD2      PHE  53 -11.340  -5.459  15.363
  419    HE1  PHE  53           HE1      PHE  53 -15.839  -7.521  15.711
  420    HE2  PHE  53           HE2      PHE  53 -11.600  -7.710  16.395
  421    HZ   PHE  53           HZ       PHE  53 -13.852  -8.733  16.564
  422    HA   PRO  54           HA       PRO  54 -12.969  -6.797  10.200
  423   1HB   PRO  54          2HB       PRO  54 -10.485  -7.614  11.419
  424   2HB   PRO  54          1HB       PRO  54 -10.725  -6.852   9.845
  425   1HG   PRO  54          2HG       PRO  54  -9.630  -5.675  12.235
  426   2HG   PRO  54          1HG       PRO  54  -9.838  -4.926  10.653
  427   1HD   PRO  54          2HD       PRO  54 -11.318  -4.387  13.054
  428   2HD   PRO  54          1HD       PRO  54 -11.584  -3.685  11.441
  429    H    GLU  55           HN       GLU  55 -14.796  -7.487  11.683
  430    HA   GLU  55           HA       GLU  55 -14.773  -8.756  14.093
  431   1HB   GLU  55          2HB       GLU  55 -16.665 -10.030  13.258
  432   2HB   GLU  55          1HB       GLU  55 -16.671  -8.441  12.485
  433   1HG   GLU  55          2HG       GLU  55 -15.560  -9.405  10.501
  434   2HG   GLU  55          1HG       GLU  55 -15.537 -10.988  11.277
  435    H    GLU  56           HN       GLU  56 -13.248  -9.994  11.168
  436    HA   GLU  56           HA       GLU  56 -12.926 -12.721  11.809
  437   1HB   GLU  56          2HB       GLU  56 -10.992 -10.717  10.588
  438   2HB   GLU  56          1HB       GLU  56 -10.805 -12.468  10.486
  439   1HG   GLU  56          2HG       GLU  56 -13.038 -12.602   9.378
  440   2HG   GLU  56          1HG       GLU  56 -13.125 -10.841   9.402
  441    H    LEU  57           HN       LEU  57 -11.648  -9.879  13.309
  442    HA   LEU  57           HA       LEU  57  -9.499 -11.241  14.793
  443   1HB   LEU  57          2HB       LEU  57 -10.770  -8.491  15.028
  444   2HB   LEU  57          1HB       LEU  57  -9.280  -8.990  15.825
  445    HG   LEU  57           HG       LEU  57  -9.659  -9.074  12.821
  446   1HD1  LEU  57          1HD1      LEU  57  -9.858  -6.752  13.725
  447   2HD1  LEU  57          3HD1      LEU  57  -8.283  -6.951  14.494
  448   3HD1  LEU  57          2HD1      LEU  57  -8.414  -6.977  12.736
  449   1HD2  LEU  57          3HD2      LEU  57  -7.878 -10.489  14.029
  450   2HD2  LEU  57          2HD2      LEU  57  -7.310  -9.426  12.741
  451   3HD2  LEU  57          1HD2      LEU  57  -7.103  -8.955  14.427
  452    H    LYS  58           HN       LYS  58 -12.716 -11.544  14.997
  453    HA   LYS  58           HA       LYS  58 -13.756 -10.929  17.447
  454   1HB   LYS  58          2HB       LYS  58 -15.150 -12.214  16.136
  455   2HB   LYS  58          1HB       LYS  58 -13.848 -13.282  15.619
  456   1HG   LYS  58          2HG       LYS  58 -13.837 -14.256  17.952
  457   2HG   LYS  58          1HG       LYS  58 -15.286 -13.309  18.287
  458   1HD   LYS  58          2HD       LYS  58 -15.750 -14.609  15.820
  459   2HD   LYS  58          1HD       LYS  58 -15.051 -15.825  16.888
  460   1HE   LYS  58          2HE       LYS  58 -16.893 -15.851  18.249
  461   2HE   LYS  58          1HE       LYS  58 -17.110 -14.093  18.140
  462   1HZ   LYS  58          2HZ       LYS  58 -17.491 -15.723  15.725
  463   2HZ   LYS  58          1HZ       LYS  58 -18.728 -15.719  16.889
  464   3HZ   LYS  58          3HZ       LYS  58 -18.240 -14.263  16.167
  465    HA   PRO  59           HA       PRO  59 -11.466 -14.756  19.463
  466   1HB   PRO  59          2HB       PRO  59  -8.988 -14.961  18.006
  467   2HB   PRO  59          1HB       PRO  59 -10.248 -16.184  18.197
  468   1HG   PRO  59          2HG       PRO  59  -9.623 -14.592  15.860
  469   2HG   PRO  59          1HG       PRO  59 -10.797 -15.901  16.014
  470   1HD   PRO  59          2HD       PRO  59 -11.361 -13.130  15.718
  471   2HD   PRO  59          1HD       PRO  59 -12.532 -14.416  16.086
  472    H    LEU  60           HN       LEU  60  -9.496 -12.191  17.879
  473    HA   LEU  60           HA       LEU  60  -7.641 -11.829  20.012
  474   1HB   LEU  60          2HB       LEU  60  -8.738 -10.163  17.754
  475   2HB   LEU  60          1HB       LEU  60  -7.581  -9.467  18.888
  476    HG   LEU  60           HG       LEU  60  -6.216 -11.663  18.401
  477   1HD1  LEU  60          3HD1      LEU  60  -8.170 -11.480  16.106
  478   2HD1  LEU  60          2HD1      LEU  60  -6.592 -12.245  15.914
  479   3HD1  LEU  60          1HD1      LEU  60  -7.751 -12.893  17.076
  480   1HD2  LEU  60          2HD2      LEU  60  -6.481  -9.422  16.373
  481   2HD2  LEU  60          1HD2      LEU  60  -5.477  -9.386  17.822
  482   3HD2  LEU  60          3HD2      LEU  60  -5.100 -10.510  16.516
  483    H    CYS  61           HN       CYS  61 -10.886 -10.473  19.458
  484    HA   CYS  61           HA       CYS  61 -10.792  -8.508  21.554
  485   1HB   CYS  61          2HB       CYS  61 -13.053 -10.029  20.222
  486   2HB   CYS  61          1HB       CYS  61 -13.280  -8.611  21.246
  487    H    LYS  62           HN       LYS  62 -11.471 -11.964  21.525
  488    HA   LYS  62           HA       LYS  62 -12.647 -11.988  24.206
  489   1HB   LYS  62          2HB       LYS  62 -11.628 -14.144  22.331
  490   2HB   LYS  62          1HB       LYS  62 -12.546 -14.453  23.805
  491   1HG   LYS  62          2HG       LYS  62 -14.397 -13.040  22.898
  492   2HG   LYS  62          1HG       LYS  62 -13.487 -12.865  21.397
  493   1HD   LYS  62          2HD       LYS  62 -13.483 -15.353  21.161
  494   2HD   LYS  62          1HD       LYS  62 -14.500 -15.460  22.598
  495   1HE   LYS  62          2HE       LYS  62 -16.319 -14.346  21.513
  496   2HE   LYS  62          1HE       LYS  62 -15.284 -13.810  20.176
  497   1HZ   LYS  62          3HZ       LYS  62 -15.277 -16.664  20.722
  498   2HZ   LYS  62          2HZ       LYS  62 -16.739 -16.053  20.107
  499   3HZ   LYS  62          1HZ       LYS  62 -15.295 -15.849  19.234
  500    H    GLU  63           HN       GLU  63  -9.479 -11.622  23.123
  501    HA   GLU  63           HA       GLU  63  -8.424 -12.853  25.649
  502   1HB   GLU  63          2HB       GLU  63  -6.387 -13.358  24.330
  503   2HB   GLU  63          1HB       GLU  63  -7.813 -14.107  23.611
  504   1HG   GLU  63          2HG       GLU  63  -7.986 -12.017  22.143
  505   2HG   GLU  63          1HG       GLU  63  -6.366 -11.610  22.706
  506    HA   PRO  64           HA       PRO  64  -6.950  -8.833  26.680
  507   1HB   PRO  64          2HB       PRO  64  -4.608  -9.911  27.953
  508   2HB   PRO  64          1HB       PRO  64  -6.102  -9.357  28.712
  509   1HG   PRO  64          2HG       PRO  64  -5.169 -12.052  28.443
  510   2HG   PRO  64          1HG       PRO  64  -6.684 -11.501  29.162
  511   1HD   PRO  64          2HD       PRO  64  -6.293 -12.862  26.631
  512   2HD   PRO  64          1HD       PRO  64  -7.825 -12.370  27.389
  513    H    ASN  65           HN       ASN  65  -5.308 -10.979  24.613
  514    HA   ASN  65           HA       ASN  65  -2.882  -9.388  24.223
  515   1HB   ASN  65          2HB       ASN  65  -4.190 -11.612  22.618
  516   2HB   ASN  65          1HB       ASN  65  -2.536 -11.036  22.400
  517   1HD2  ASN  65          1HD2      ASN  65  -3.790 -13.701  23.487
  518   2HD2  ASN  65          2HD2      ASN  65  -2.925 -13.970  24.922
  519    H    ALA  66           HN       ALA  66  -6.123  -9.425  22.927
  520    HA   ALA  66           HA       ALA  66  -5.887  -8.356  20.368
  521   1HB   ALA  66          2HB       ALA  66  -7.810  -8.516  22.496
  522   2HB   ALA  66          3HB       ALA  66  -8.109  -8.360  20.764
  523   3HB   ALA  66          1HB       ALA  66  -7.916  -6.916  21.759
  524    H    GLN  67           HN       GLN  67  -5.583  -6.619  23.467
  525    HA   GLN  67           HA       GLN  67  -5.414  -3.971  22.422
  526   1HB   GLN  67          2HB       GLN  67  -4.200  -5.310  24.859
  527   2HB   GLN  67          1HB       GLN  67  -4.265  -3.563  24.622
  528   1HG   GLN  67          2HG       GLN  67  -6.726  -3.673  24.472
  529   2HG   GLN  67          1HG       GLN  67  -6.663  -5.420  24.704
  530   1HE2  GLN  67          1HE2      GLN  67  -8.073  -3.794  26.561
  531   2HE2  GLN  67          2HE2      GLN  67  -7.239  -3.795  28.039
  532    H    GLU  68           HN       GLU  68  -2.876  -6.418  23.015
  533    HA   GLU  68           HA       GLU  68  -0.733  -4.645  22.095
  534   1HB   GLU  68          2HB       GLU  68  -0.911  -7.616  22.700
  535   2HB   GLU  68          1HB       GLU  68   0.594  -6.748  22.398
  536   1HG   GLU  68          2HG       GLU  68   0.110  -5.261  24.319
  537   2HG   GLU  68          1HG       GLU  68  -1.378  -6.156  24.627
  538    H    ILE  69           HN       ILE  69  -2.603  -7.363  20.767
  539    HA   ILE  69           HA       ILE  69  -1.108  -7.693  18.343
  540    HB   ILE  69           HB       ILE  69  -4.019  -8.200  19.042
  541   1HG1  ILE  69          2HG1      ILE  69  -1.641 -10.082  19.031
  542   2HG1  ILE  69          1HG1      ILE  69  -2.290  -9.319  20.482
  543   1HG2  ILE  69          3HG2      ILE  69  -2.382  -8.728  16.619
  544   2HG2  ILE  69          2HG2      ILE  69  -3.382 -10.068  17.183
  545   3HG2  ILE  69          1HG2      ILE  69  -4.127  -8.521  16.777
  546   1HD1  ILE  69          3HD1      ILE  69  -3.888 -11.084  18.600
  547   2HD1  ILE  69          2HD1      ILE  69  -3.185 -11.625  20.125
  548   3HD1  ILE  69          1HD1      ILE  69  -4.453 -10.398  20.124
  549    H    LEU  70           HN       LEU  70  -3.917  -5.654  19.157
  550    HA   LEU  70           HA       LEU  70  -4.570  -4.721  16.570
  551   1HB   LEU  70          2HB       LEU  70  -5.895  -4.331  18.597
  552   2HB   LEU  70          1HB       LEU  70  -4.613  -3.319  19.263
  553    HG   LEU  70           HG       LEU  70  -6.651  -2.195  18.029
  554   1HD1  LEU  70          1HD1      LEU  70  -4.044  -1.440  18.603
  555   2HD1  LEU  70          3HD1      LEU  70  -4.211  -1.044  16.892
  556   3HD1  LEU  70          2HD1      LEU  70  -5.331  -0.358  18.069
  557   1HD2  LEU  70          1HD2      LEU  70  -6.467  -3.589  15.996
  558   2HD2  LEU  70          3HD2      LEU  70  -6.221  -1.884  15.617
  559   3HD2  LEU  70          2HD2      LEU  70  -4.837  -2.972  15.723
  560    H    GLN  71           HN       GLN  71  -2.318  -3.218  18.943
  561    HA   GLN  71           HA       GLN  71  -1.452  -1.018  17.448
  562   1HB   GLN  71          2HB       GLN  71   0.111  -2.925  19.220
  563   2HB   GLN  71          1HB       GLN  71   0.652  -1.307  18.770
  564   1HG   GLN  71          2HG       GLN  71  -1.378  -0.350  19.818
  565   2HG   GLN  71          1HG       GLN  71  -1.887  -1.971  20.293
  566   1HE2  GLN  71          1HE2      GLN  71  -1.469  -0.119  22.343
  567   2HE2  GLN  71          2HE2      GLN  71  -0.045  -0.495  23.186
  568    H    ARG  72           HN       ARG  72   0.078  -4.263  17.462
  569    HA   ARG  72           HA       ARG  72   2.010  -3.844  15.469
  570   1HB   ARG  72          2HB       ARG  72   0.316  -6.244  16.213
  571   2HB   ARG  72          1HB       ARG  72   1.704  -6.348  15.130
  572   1HG   ARG  72          2HG       ARG  72   3.050  -5.215  16.993
  573   2HG   ARG  72          1HG       ARG  72   1.675  -5.544  18.046
  574   1HD   ARG  72          2HD       ARG  72   3.199  -7.648  16.464
  575   2HD   ARG  72          1HD       ARG  72   3.355  -7.361  18.208
  576    HE   ARG  72           HE       ARG  72   0.739  -7.727  18.144
  577   1HH1  ARG  72          1HH1      ARG  72   3.315  -9.597  16.945
  578   2HH1  ARG  72          2HH1      ARG  72   2.317 -10.894  16.381
  579   1HH2  ARG  72          1HH2      ARG  72  -0.660  -9.262  17.089
  580   2HH2  ARG  72          2HH2      ARG  72   0.065 -10.704  16.462
  581    H    LEU  73           HN       LEU  73  -1.292  -5.172  14.981
  582    HA   LEU  73           HA       LEU  73  -1.319  -5.399  12.200
  583   1HB   LEU  73          2HB       LEU  73  -3.463  -4.404  14.106
  584   2HB   LEU  73          1HB       LEU  73  -3.776  -4.974  12.466
  585    HG   LEU  73           HG       LEU  73  -2.613  -6.574  14.764
  586   1HD1  LEU  73          3HD1      LEU  73  -5.223  -6.503  13.279
  587   2HD1  LEU  73          2HD1      LEU  73  -4.662  -8.025  13.972
  588   3HD1  LEU  73          1HD1      LEU  73  -4.934  -6.629  15.014
  589   1HD2  LEU  73          2HD2      LEU  73  -2.382  -6.892  11.861
  590   2HD2  LEU  73          1HD2      LEU  73  -1.507  -7.716  13.153
  591   3HD2  LEU  73          3HD2      LEU  73  -3.092  -8.302  12.648
  592    H    GLU  74           HN       GLU  74  -2.182  -2.474  14.093
  593    HA   GLU  74           HA       GLU  74  -2.718  -0.720  11.956
  594   1HB   GLU  74          2HB       GLU  74  -1.338  -0.207  14.609
  595   2HB   GLU  74          1HB       GLU  74  -2.117   1.024  13.617
  596   1HG   GLU  74          2HG       GLU  74  -3.455  -1.365  14.917
  597   2HG   GLU  74          1HG       GLU  74  -3.668   0.329  15.358
  598    H    GLU  75           HN       GLU  75   0.454  -1.225  13.608
  599    HA   GLU  75           HA       GLU  75   2.011   0.509  12.033
  600   1HB   GLU  75          2HB       GLU  75   2.648  -0.720  14.119
  601   2HB   GLU  75          1HB       GLU  75   2.756  -2.204  13.173
  602   1HG   GLU  75          2HG       GLU  75   4.468  -1.115  11.723
  603   2HG   GLU  75          1HG       GLU  75   4.399   0.313  12.756
  604    H    ILE  76           HN       ILE  76   1.636  -3.036  11.534
  605    HA   ILE  76           HA       ILE  76   3.003  -3.144   9.039
  606    HB   ILE  76           HB       ILE  76   0.729  -4.792  10.195
  607   1HG1  ILE  76          2HG1      ILE  76   3.748  -5.053  10.252
  608   2HG1  ILE  76          1HG1      ILE  76   2.676  -4.806  11.630
  609   1HG2  ILE  76          2HG2      ILE  76   2.620  -5.340   7.888
  610   2HG2  ILE  76          1HG2      ILE  76   1.602  -6.566   8.642
  611   3HG2  ILE  76          3HG2      ILE  76   0.863  -5.201   7.805
  612   1HD1  ILE  76          3HD1      ILE  76   1.547  -7.029  10.770
  613   2HD1  ILE  76          2HD1      ILE  76   3.102  -7.276   9.976
  614   3HD1  ILE  76          1HD1      ILE  76   3.023  -7.112  11.730
  615    H    ALA  77           HN       ALA  77  -0.360  -2.397   9.847
  616    HA   ALA  77           HA       ALA  77  -1.510  -2.469   7.251
  617   1HB   ALA  77          3HB       ALA  77  -2.024  -1.280   9.900
  618   2HB   ALA  77          1HB       ALA  77  -3.139  -2.098   8.806
  619   3HB   ALA  77          2HB       ALA  77  -2.760  -0.393   8.566
  620    H    GLU  78           HN       GLU  78   0.425   0.010   8.880
  621    HA   GLU  78           HA       GLU  78   0.019   2.166   7.064
  622   1HB   GLU  78          2HB       GLU  78   1.126   2.198   9.319
  623   2HB   GLU  78          1HB       GLU  78   2.522   1.396   8.598
  624   1HG   GLU  78          2HG       GLU  78   2.992   3.760   8.615
  625   2HG   GLU  78          1HG       GLU  78   2.645   3.312   6.945
  626    H    ASP  79           HN       ASP  79   2.365  -0.526   7.005
  627    HA   ASP  79           HA       ASP  79   2.741  -0.059   4.090
  628   1HB   ASP  79          2HB       ASP  79   4.548   0.725   6.183
  629   2HB   ASP  79          1HB       ASP  79   5.299  -0.566   5.245
  630    HA   PRO  80           HA       PRO  80   2.702  -4.445   3.860
  631   1HB   PRO  80          2HB       PRO  80   4.865  -4.542   1.966
  632   2HB   PRO  80          1HB       PRO  80   3.133  -4.658   1.647
  633   1HG   PRO  80          2HG       PRO  80   4.904  -2.453   1.082
  634   2HG   PRO  80          1HG       PRO  80   3.185  -2.598   0.705
  635   1HD   PRO  80          2HD       PRO  80   4.400  -0.913   2.685
  636   2HD   PRO  80          1HD       PRO  80   2.662  -1.134   2.374
  637    H    GLY  81           HN       GLY  81   6.109  -3.322   3.530
  638   1HA   GLY  81          1HA       GLY  81   6.836  -4.646   6.035
  639   2HA   GLY  81          2HA       GLY  81   7.938  -3.789   4.956
  640    H    THR  82           HN       THR  82   7.873  -6.619   6.222
  641    HA   THR  82           HA       THR  82   9.021  -7.974   3.887
  642    HB   THR  82           HB       THR  82   9.609  -9.654   5.574
  643    HG1  THR  82          1HG       THR  82   7.593  -9.540   6.690
  644   1HG2  THR  82          1HG2      THR  82  10.017  -6.757   6.048
  645   2HG2  THR  82          3HG2      THR  82  10.410  -7.820   7.399
  646   3HG2  THR  82          2HG2      THR  82  11.205  -8.044   5.841
  647    H    CYS  83           HN       CYS  83   5.972  -7.913   5.557
  648    HA   CYS  83           HA       CYS  83   4.937 -10.488   5.026
  649   1HB   CYS  83          2HB       CYS  83   3.898  -8.678   6.390
  650   2HB   CYS  83          1HB       CYS  83   3.531  -7.800   4.906
  651    H    GLU  84           HN       GLU  84   4.621  -7.554   2.986
  652    HA   GLU  84           HA       GLU  84   3.324  -8.802   0.789
  653   1HB   GLU  84          2HB       GLU  84   3.552  -6.363   1.263
  654   2HB   GLU  84          1HB       GLU  84   5.255  -6.464   0.815
  655   1HG   GLU  84          2HG       GLU  84   4.574  -7.307  -1.433
  656   2HG   GLU  84          1HG       GLU  84   2.886  -7.087  -0.976
  657    H    ILE  85           HN       ILE  85   6.756  -8.719   1.664
  658    HA   ILE  85           HA       ILE  85   7.469  -9.887  -0.982
  659    HB   ILE  85           HB       ILE  85   9.723  -9.303  -0.351
  660   1HG1  ILE  85          2HG1      ILE  85   8.544  -8.968   2.415
  661   2HG1  ILE  85          1HG1      ILE  85   9.801 -10.099   1.917
  662   1HG2  ILE  85          3HG2      ILE  85   7.582  -7.439  -0.345
  663   2HG2  ILE  85          2HG2      ILE  85   8.699  -6.934   0.924
  664   3HG2  ILE  85          1HG2      ILE  85   9.275  -7.130  -0.732
  665   1HD1  ILE  85          1HD1      ILE  85  11.001  -7.833   1.157
  666   2HD1  ILE  85          3HD1      ILE  85   9.976  -7.160   2.423
  667   3HD1  ILE  85          2HD1      ILE  85  11.133  -8.434   2.810
  668    H    CYS  86           HN       CYS  86   6.155 -11.174   1.615
  669    HA   CYS  86           HA       CYS  86   6.226 -13.304   2.632
  670   1HB   CYS  86          2HB       CYS  86   6.802 -13.466  -0.108
  671   2HB   CYS  86          1HB       CYS  86   8.021 -14.481   0.663
  672    H    ALA  87           HN       ALA  87   8.645 -11.265   2.838
  673    HA   ALA  87           HA       ALA  87  11.000 -12.853   3.322
  674   1HB   ALA  87          2HB       ALA  87  11.310 -10.618   4.845
  675   2HB   ALA  87          3HB       ALA  87   9.994 -10.099   3.791
  676   3HB   ALA  87          1HB       ALA  87  11.524 -10.630   3.094
  677    H    TYR  88           HN       TYR  88   8.086 -12.421   5.093
  678    HA   TYR  88           HA       TYR  88   9.272 -13.889   7.408
  679   1HB   TYR  88          2HB       TYR  88   8.398 -11.135   7.282
  680   2HB   TYR  88          1HB       TYR  88   7.386 -12.032   8.413
  681    HD1  TYR  88           HD1      TYR  88  11.003 -11.698   7.458
  682    HD2  TYR  88           HD2      TYR  88   8.137 -12.267  10.606
  683    HE1  TYR  88           HE1      TYR  88  12.832 -11.648   9.132
  684    HE2  TYR  88           HE2      TYR  88   9.966 -12.217  12.281
  685    HH   TYR  88           HH       TYR  88  12.606 -12.776  12.134
  686    H    ALA  89           HN       ALA  89   7.430 -14.735   8.842
  687    HA   ALA  89           HA       ALA  89   5.445 -16.069   7.176
  688   1HB   ALA  89          1HB       ALA  89   6.251 -17.342   8.964
  689   2HB   ALA  89          2HB       ALA  89   4.726 -16.752   9.626
  690   3HB   ALA  89          3HB       ALA  89   6.243 -15.970  10.071
  691    H    ALA  90           HN       ALA  90   5.538 -12.960   8.263
  692    HA   ALA  90           HA       ALA  90   2.997 -12.514   9.485
  693   1HB   ALA  90          2HB       ALA  90   4.364 -10.603   7.596
  694   2HB   ALA  90          1HB       ALA  90   3.520 -10.244   9.104
  695   3HB   ALA  90          3HB       ALA  90   5.104 -11.019   9.141
  696    H    CYS  91           HN       CYS  91   3.962 -12.752   6.074
  697    HA   CYS  91           HA       CYS  91   1.146 -12.211   5.248
  698   1HB   CYS  91          2HB       CYS  91   3.760 -11.601   4.267
  699   2HB   CYS  91          1HB       CYS  91   2.939 -12.588   3.060
  700    H    THR  92           HN       THR  92  -0.118 -13.958   4.808
  701    HA   THR  92           HA       THR  92   1.217 -16.550   4.106
  702    HB   THR  92           HB       THR  92  -0.682 -17.583   5.165
  703    HG1  THR  92          1HG       THR  92  -2.364 -16.385   4.453
  704   1HG2  THR  92          1HG2      THR  92   0.985 -15.746   6.489
  705   2HG2  THR  92          3HG2      THR  92  -0.632 -15.460   7.130
  706   3HG2  THR  92          2HG2      THR  92   0.078 -17.072   7.219
  707    H    GLY  93           HN       GLY  93   0.207 -17.810   2.390
  708   1HA   GLY  93          1HA       GLY  93  -1.872 -16.476   0.765
  709   2HA   GLY  93          2HA       GLY  93  -1.264 -18.114   0.521
  710    H    CYS  94           HN       CYS  94   1.482 -17.619   0.431
  711    HA   CYS  94           HA       CYS  94   2.488 -15.514  -1.095
  712   1HB   CYS  94          2HB       CYS  94   3.080 -18.400  -0.693
  713   2HB   CYS  94          1HB       CYS  94   3.873 -17.630  -2.067

  No H/Q in entry =         713
  Start of MODEL   19
    1    H1   VAL   1          2H        VAL   1  -2.981  -9.336  -0.506
    2    H2   VAL   1          1H        VAL   1  -1.338  -8.943  -0.329
    3    H3   VAL   1          3H        VAL   1  -1.814 -10.085  -1.489
    4    HA   VAL   1           HA       VAL   1  -2.155 -11.743   0.049
    5    HB   VAL   1           HB       VAL   1  -0.135  -9.998   1.467
    6   1HG1  VAL   1          1HG1      VAL   1  -0.724 -12.903   1.184
    7   2HG1  VAL   1          3HG1      VAL   1   0.976 -12.439   1.228
    8   3HG1  VAL   1          2HG1      VAL   1  -0.088 -12.015   2.569
    9   1HG2  VAL   1          3HG2      VAL   1  -0.026 -11.255  -1.266
   10   2HG2  VAL   1          2HG2      VAL   1   0.507  -9.650  -0.766
   11   3HG2  VAL   1          1HG2      VAL   1   1.446 -11.071  -0.313
   12    H    THR   2           HN       THR   2  -2.071 -12.123   2.641
   13    HA   THR   2           HA       THR   2  -3.933 -10.116   3.874
   14    HB   THR   2           HB       THR   2  -3.940 -13.135   4.171
   15    HG1  THR   2          1HG       THR   2  -5.931 -11.707   2.840
   16   1HG2  THR   2          3HG2      THR   2  -4.891 -11.692   6.037
   17   2HG2  THR   2          2HG2      THR   2  -6.089 -11.127   4.874
   18   3HG2  THR   2          1HG2      THR   2  -6.023 -12.834   5.311
   19    H    VAL   3           HN       VAL   3  -3.530  -9.616   6.028
   20    HA   VAL   3           HA       VAL   3  -0.908 -10.371   7.128
   21    HB   VAL   3           HB       VAL   3  -3.210  -8.682   8.170
   22   1HG1  VAL   3          3HG1      VAL   3  -0.330  -8.945   9.084
   23   2HG1  VAL   3          2HG1      VAL   3  -1.447  -7.703   9.649
   24   3HG1  VAL   3          1HG1      VAL   3  -1.766  -9.401  10.000
   25   1HG2  VAL   3          3HG2      VAL   3  -2.121  -7.954   6.009
   26   2HG2  VAL   3          2HG2      VAL   3  -1.964  -6.792   7.327
   27   3HG2  VAL   3          1HG2      VAL   3  -0.600  -7.823   6.892
   28    H    GLN   4           HN       GLN   4  -0.689 -12.244   8.322
   29    HA   GLN   4           HA       GLN   4  -3.117 -13.264   9.754
   30   1HB   GLN   4          2HB       GLN   4  -2.178 -14.638   7.907
   31   2HB   GLN   4          1HB       GLN   4  -0.638 -14.706   8.763
   32   1HG   GLN   4          2HG       GLN   4  -1.933 -15.683  10.736
   33   2HG   GLN   4          1HG       GLN   4  -3.296 -15.864   9.632
   34   1HE2  GLN   4          1HE2      GLN   4  -3.374 -17.982   8.881
   35   2HE2  GLN   4          2HE2      GLN   4  -2.024 -18.922   8.461
   36    H    ASP   5           HN       ASP   5  -3.005 -13.444  11.939
   37    HA   ASP   5           HA       ASP   5  -0.503 -12.653  13.322
   38   1HB   ASP   5          2HB       ASP   5  -3.377 -13.136  14.158
   39   2HB   ASP   5          1HB       ASP   5  -2.107 -12.692  15.298
   40    H    GLY   6           HN       GLY   6  -2.928 -15.010  14.377
   41   1HA   GLY   6          1HA       GLY   6  -2.338 -16.963  15.695
   42   2HA   GLY   6          2HA       GLY   6  -0.717 -16.899  15.002
   43    H    ASN   7           HN       ASN   7  -3.462 -18.681  14.926
   44    HA   ASN   7           HA       ASN   7  -2.721 -19.951  12.375
   45   1HB   ASN   7          2HB       ASN   7  -4.842 -20.515  14.473
   46   2HB   ASN   7          1HB       ASN   7  -4.444 -21.592  13.134
   47   1HD2  ASN   7          1HD2      ASN   7  -4.107 -22.409  15.870
   48   2HD2  ASN   7          2HD2      ASN   7  -2.447 -22.593  16.170
   49    H    PHE   8           HN       PHE   8  -4.395 -17.234  12.903
   50    HA   PHE   8           HA       PHE   8  -6.484 -17.875  10.845
   51   1HB   PHE   8          2HB       PHE   8  -6.500 -15.932  13.179
   52   2HB   PHE   8          1HB       PHE   8  -7.810 -16.108  12.011
   53    HD1  PHE   8           HD1      PHE   8  -9.105 -18.222  11.882
   54    HD2  PHE   8           HD2      PHE   8  -6.116 -17.582  14.899
   55    HE1  PHE   8           HE1      PHE   8 -10.008 -20.131  13.182
   56    HE2  PHE   8           HE2      PHE   8  -7.017 -19.492  16.198
   57    HZ   PHE   8           HZ       PHE   8  -8.964 -20.766  15.340
   58    H    SER   9           HN       SER   9  -6.525 -16.526   9.054
   59    HA   SER   9           HA       SER   9  -4.348 -14.543   8.779
   60   1HB   SER   9          2HB       SER   9  -4.898 -14.694   6.439
   61   2HB   SER   9          1HB       SER   9  -5.012 -16.330   7.087
   62    HG   SER   9           HG       SER   9  -6.857 -16.024   5.963
   63    H    PHE  10           HN       PHE  10  -4.704 -12.370   9.035
   64    HA   PHE  10           HA       PHE  10  -7.546 -11.405   9.064
   65   1HB   PHE  10          2HB       PHE  10  -5.055 -10.458  10.517
   66   2HB   PHE  10          1HB       PHE  10  -6.642  -9.704  10.652
   67    HD1  PHE  10           HD1      PHE  10  -8.112 -12.496  10.403
   68    HD2  PHE  10           HD2      PHE  10  -4.976 -10.980  12.918
   69    HE1  PHE  10           HE1      PHE  10  -8.748 -14.114  12.172
   70    HE2  PHE  10           HE2      PHE  10  -5.611 -12.599  14.685
   71    HZ   PHE  10           HZ       PHE  10  -7.499 -14.163  14.314
   72    H    SER  11           HN       SER  11  -8.039  -9.943   7.457
   73    HA   SER  11           HA       SER  11  -6.166  -9.055   5.494
   74   1HB   SER  11          2HB       SER  11  -8.628  -9.214   5.227
   75   2HB   SER  11          1HB       SER  11  -8.832  -7.890   6.374
   76    HG   SER  11           HG       SER  11  -7.990  -6.495   4.954
   77    H    LEU  12           HN       LEU  12  -5.369  -6.826   5.162
   78    HA   LEU  12           HA       LEU  12  -4.755  -5.495   7.755
   79   1HB   LEU  12          2HB       LEU  12  -2.788  -4.807   6.698
   80   2HB   LEU  12          1HB       LEU  12  -3.104  -6.336   5.885
   81    HG   LEU  12           HG       LEU  12  -4.177  -3.746   4.770
   82   1HD1  LEU  12          3HD1      LEU  12  -1.404  -4.553   5.000
   83   2HD1  LEU  12          2HD1      LEU  12  -1.892  -4.489   3.307
   84   3HD1  LEU  12          1HD1      LEU  12  -2.073  -3.066   4.332
   85   1HD2  LEU  12          2HD2      LEU  12  -3.585  -6.519   3.725
   86   2HD2  LEU  12          1HD2      LEU  12  -5.127  -5.666   3.731
   87   3HD2  LEU  12          3HD2      LEU  12  -3.841  -5.152   2.641
   88    H    GLU  13           HN       GLU  13  -6.465  -4.957   4.737
   89    HA   GLU  13           HA       GLU  13  -6.607  -2.138   4.654
   90   1HB   GLU  13          2HB       GLU  13  -8.607  -4.311   3.966
   91   2HB   GLU  13          1HB       GLU  13  -8.789  -2.627   3.475
   92   1HG   GLU  13          2HG       GLU  13  -6.564  -2.760   2.347
   93   2HG   GLU  13          1HG       GLU  13  -6.493  -4.473   2.756
   94    H    SER  14           HN       SER  14  -9.218  -4.229   5.944
   95    HA   SER  14           HA       SER  14 -10.699  -2.234   7.258
   96   1HB   SER  14          2HB       SER  14 -10.238  -5.047   8.275
   97   2HB   SER  14          1HB       SER  14 -11.704  -4.078   8.419
   98    HG   SER  14           HG       SER  14 -12.162  -5.256   6.697
   99    H    VAL  15           HN       VAL  15  -7.896  -4.080   8.457
  100    HA   VAL  15           HA       VAL  15  -7.953  -3.208  11.155
  101    HB   VAL  15           HB       VAL  15  -5.849  -4.100   9.197
  102   1HG1  VAL  15          1HG1      VAL  15  -4.844  -2.414  10.794
  103   2HG1  VAL  15          3HG1      VAL  15  -5.332  -3.472  12.118
  104   3HG1  VAL  15          2HG1      VAL  15  -4.160  -4.033  10.926
  105   1HG2  VAL  15          3HG2      VAL  15  -7.500  -5.210  11.397
  106   2HG2  VAL  15          2HG2      VAL  15  -6.891  -5.997   9.940
  107   3HG2  VAL  15          1HG2      VAL  15  -5.834  -5.788  11.334
  108    H    LYS  16           HN       LYS  16  -6.343  -1.737   8.306
  109    HA   LYS  16           HA       LYS  16  -5.181   0.489   9.645
  110   1HB   LYS  16          2HB       LYS  16  -4.727  -0.197   7.310
  111   2HB   LYS  16          1HB       LYS  16  -6.374   0.244   6.859
  112   1HG   LYS  16          2HG       LYS  16  -5.933   2.581   7.510
  113   2HG   LYS  16          1HG       LYS  16  -4.291   2.146   7.980
  114   1HD   LYS  16          2HD       LYS  16  -3.996   1.287   5.582
  115   2HD   LYS  16          1HD       LYS  16  -5.503   2.123   5.209
  116   1HE   LYS  16          2HE       LYS  16  -3.899   3.962   6.672
  117   2HE   LYS  16          1HE       LYS  16  -2.859   3.241   5.429
  118   1HZ   LYS  16          2HZ       LYS  16  -5.085   3.522   4.041
  119   2HZ   LYS  16          1HZ       LYS  16  -5.315   4.806   5.129
  120   3HZ   LYS  16          3HZ       LYS  16  -3.935   4.768   4.145
  121    H    LYS  17           HN       LYS  17  -8.317   0.268   7.918
  122    HA   LYS  17           HA       LYS  17  -9.245   2.826   9.010
  123   1HB   LYS  17          2HB       LYS  17 -10.703   0.607   7.533
  124   2HB   LYS  17          1HB       LYS  17 -11.243   2.278   7.703
  125   1HG   LYS  17          2HG       LYS  17  -9.235   3.041   6.472
  126   2HG   LYS  17          1HG       LYS  17  -8.724   1.365   6.280
  127   1HD   LYS  17          2HD       LYS  17 -10.894   0.902   5.105
  128   2HD   LYS  17          1HD       LYS  17 -11.256   2.626   5.186
  129   1HE   LYS  17          2HE       LYS  17  -8.992   1.276   3.686
  130   2HE   LYS  17          1HE       LYS  17 -10.269   2.320   3.033
  131   1HZ   LYS  17          2HZ       LYS  17  -9.390   4.038   4.676
  132   2HZ   LYS  17          1HZ       LYS  17  -8.009   3.058   4.803
  133   3HZ   LYS  17          3HZ       LYS  17  -8.433   3.734   3.306
  134    H    LEU  18           HN       LEU  18  -8.695   0.088  10.591
  135    HA   LEU  18           HA       LEU  18 -11.129  -0.771  11.770
  136   1HB   LEU  18          2HB       LEU  18  -8.819  -1.796  11.842
  137   2HB   LEU  18          1HB       LEU  18  -8.373  -0.564  13.024
  138    HG   LEU  18           HG       LEU  18 -10.812  -2.265  13.479
  139   1HD1  LEU  18          2HD1      LEU  18  -7.921  -3.008  14.023
  140   2HD1  LEU  18          1HD1      LEU  18  -9.295  -3.798  14.800
  141   3HD1  LEU  18          3HD1      LEU  18  -9.088  -3.908  13.051
  142   1HD2  LEU  18          3HD2      LEU  18  -9.071  -0.413  14.987
  143   2HD2  LEU  18          2HD2      LEU  18 -10.778  -0.791  15.217
  144   3HD2  LEU  18          1HD2      LEU  18  -9.541  -1.867  15.866
  145    H    LYS  19           HN       LYS  19  -8.920   1.888  12.653
  146    HA   LYS  19           HA       LYS  19  -9.967   2.665  15.137
  147   1HB   LYS  19          2HB       LYS  19  -8.010   3.624  13.897
  148   2HB   LYS  19          1HB       LYS  19  -9.137   4.449  12.822
  149   1HG   LYS  19          2HG       LYS  19 -10.084   5.682  14.716
  150   2HG   LYS  19          1HG       LYS  19  -9.031   4.814  15.833
  151   1HD   LYS  19          2HD       LYS  19  -7.990   6.941  15.401
  152   2HD   LYS  19          1HD       LYS  19  -7.060   5.727  14.522
  153   1HE   LYS  19          2HE       LYS  19  -9.316   6.846  12.978
  154   2HE   LYS  19          1HE       LYS  19  -8.052   8.024  13.380
  155   1HZ   LYS  19          2HZ       LYS  19  -7.174   5.360  12.572
  156   2HZ   LYS  19          1HZ       LYS  19  -7.833   6.335  11.346
  157   3HZ   LYS  19          3HZ       LYS  19  -6.488   6.875  12.228
  158    H    ASP  20           HN       ASP  20 -11.165   3.475  11.882
  159    HA   ASP  20           HA       ASP  20 -13.864   3.975  13.011
  160   1HB   ASP  20          2HB       ASP  20 -13.899   6.190  11.801
  161   2HB   ASP  20          1HB       ASP  20 -12.751   6.136  13.140
  162    H    LEU  21           HN       LEU  21 -15.496   3.606  11.430
  163    HA   LEU  21           HA       LEU  21 -14.502   2.398   8.889
  164   1HB   LEU  21          2HB       LEU  21 -15.982   1.207  10.621
  165   2HB   LEU  21          1HB       LEU  21 -17.280   2.269  10.072
  166    HG   LEU  21           HG       LEU  21 -16.760   1.474   7.707
  167   1HD1  LEU  21          2HD1      LEU  21 -15.122  -0.515   9.304
  168   2HD1  LEU  21          1HD1      LEU  21 -15.601  -0.766   7.626
  169   3HD1  LEU  21          3HD1      LEU  21 -14.539   0.577   8.048
  170   1HD2  LEU  21          1HD2      LEU  21 -18.413   0.448   9.644
  171   2HD2  LEU  21          3HD2      LEU  21 -18.420  -0.057   7.954
  172   3HD2  LEU  21          2HD2      LEU  21 -17.509  -0.982   9.149
  173    H    GLN  22           HN       GLN  22 -14.790   3.509   7.019
  174    HA   GLN  22           HA       GLN  22 -17.078   5.406   6.772
  175   1HB   GLN  22          2HB       GLN  22 -14.144   5.988   6.246
  176   2HB   GLN  22          1HB       GLN  22 -15.468   7.082   5.844
  177   1HG   GLN  22          2HG       GLN  22 -16.118   7.180   8.219
  178   2HG   GLN  22          1HG       GLN  22 -14.813   6.066   8.628
  179   1HE2  GLN  22          1HE2      GLN  22 -14.923   8.716   9.732
  180   2HE2  GLN  22          2HE2      GLN  22 -13.618   9.607   9.112
  181    H    GLU  23           HN       GLU  23 -17.594   5.839   4.484
  182    HA   GLU  23           HA       GLU  23 -17.887   5.121   2.247
  183   1HB   GLU  23          2HB       GLU  23 -15.116   4.028   2.214
  184   2HB   GLU  23          1HB       GLU  23 -15.879   5.178   1.117
  185   1HG   GLU  23          2HG       GLU  23 -15.825   6.733   3.281
  186   2HG   GLU  23          1HG       GLU  23 -14.479   5.677   3.711
  187    HA   PRO  24           HA       PRO  24 -18.624   0.789   1.939
  188   1HB   PRO  24          2HB       PRO  24 -16.839   0.089  -0.207
  189   2HB   PRO  24          1HB       PRO  24 -18.576   0.394  -0.291
  190   1HG   PRO  24          2HG       PRO  24 -16.457   2.050  -1.278
  191   2HG   PRO  24          1HG       PRO  24 -18.191   2.378  -1.319
  192   1HD   PRO  24          2HD       PRO  24 -16.170   3.628   0.336
  193   2HD   PRO  24          1HD       PRO  24 -17.905   4.011   0.247
  194    H    GLN  25           HN       GLN  25 -17.780  -1.267   2.634
  195    HA   GLN  25           HA       GLN  25 -15.561  -1.266   4.374
  196   1HB   GLN  25          2HB       GLN  25 -16.902  -3.495   2.817
  197   2HB   GLN  25          1HB       GLN  25 -15.817  -3.757   4.181
  198   1HG   GLN  25          2HG       GLN  25 -17.328  -2.376   5.605
  199   2HG   GLN  25          1HG       GLN  25 -18.434  -2.222   4.240
  200   1HE2  GLN  25          1HE2      GLN  25 -20.010  -3.834   4.090
  201   2HE2  GLN  25          2HE2      GLN  25 -19.932  -5.344   4.860
  202    H    GLU  26           HN       GLU  26 -15.729  -2.089   0.930
  203    HA   GLU  26           HA       GLU  26 -12.739  -2.043   0.853
  204   1HB   GLU  26          2HB       GLU  26 -14.678  -4.188   0.094
  205   2HB   GLU  26          1HB       GLU  26 -13.248  -3.987  -0.918
  206   1HG   GLU  26          2HG       GLU  26 -11.924  -3.985   1.310
  207   2HG   GLU  26          1HG       GLU  26 -13.390  -4.660   2.020
  208    HA   PRO  27           HA       PRO  27 -14.688   0.706  -2.349
  209   1HB   PRO  27          2HB       PRO  27 -12.367   2.368  -1.993
  210   2HB   PRO  27          1HB       PRO  27 -14.036   2.718  -1.535
  211   1HG   PRO  27          2HG       PRO  27 -11.829   2.121   0.195
  212   2HG   PRO  27          1HG       PRO  27 -13.504   2.437   0.651
  213   1HD   PRO  27          2HD       PRO  27 -12.084  -0.088   0.697
  214   2HD   PRO  27          1HD       PRO  27 -13.756   0.240   1.209
  215    H    ARG  28           HN       ARG  28 -14.056   0.707  -4.535
  216    HA   ARG  28           HA       ARG  28 -11.714  -0.949  -5.239
  217   1HB   ARG  28          2HB       ARG  28 -13.909   0.395  -6.850
  218   2HB   ARG  28          1HB       ARG  28 -12.731  -0.739  -7.509
  219   1HG   ARG  28          2HG       ARG  28 -13.527  -2.451  -5.871
  220   2HG   ARG  28          1HG       ARG  28 -14.770  -1.319  -5.339
  221   1HD   ARG  28          2HD       ARG  28 -15.594  -1.225  -7.733
  222   2HD   ARG  28          1HD       ARG  28 -14.469  -2.547  -8.101
  223    HE   ARG  28           HE       ARG  28 -16.183  -3.026  -5.761
  224   1HH1  ARG  28          1HH1      ARG  28 -15.836  -3.226  -9.187
  225   2HH1  ARG  28          2HH1      ARG  28 -16.883  -4.596  -9.344
  226   1HH2  ARG  28          1HH2      ARG  28 -17.506  -4.851  -5.944
  227   2HH2  ARG  28          2HH2      ARG  28 -17.827  -5.517  -7.511
  228    H    VAL  29           HN       VAL  29 -10.096  -0.171  -6.780
  229    HA   VAL  29           HA       VAL  29  -8.379   1.449  -7.167
  230    HB   VAL  29           HB       VAL  29  -9.770   1.519  -9.131
  231   1HG1  VAL  29          2HG1      VAL  29 -11.583   3.286  -7.465
  232   2HG1  VAL  29          1HG1      VAL  29 -11.766   3.052  -9.203
  233   3HG1  VAL  29          3HG1      VAL  29 -11.956   1.685  -8.104
  234   1HG2  VAL  29          2HG2      VAL  29  -9.122   4.258  -8.028
  235   2HG2  VAL  29          1HG2      VAL  29  -8.184   3.300  -9.171
  236   3HG2  VAL  29          3HG2      VAL  29  -9.714   4.019  -9.671
  237    H    GLY  30           HN       GLY  30  -7.982   2.127  -4.922
  238   1HA   GLY  30          1HA       GLY  30  -9.079   3.727  -3.147
  239   2HA   GLY  30          2HA       GLY  30  -8.917   4.912  -4.442
  240    H    LYS  31           HN       LYS  31  -7.561   4.585  -1.714
  241    HA   LYS  31           HA       LYS  31  -4.865   5.323  -2.648
  242   1HB   LYS  31          2HB       LYS  31  -6.090   5.123   0.123
  243   2HB   LYS  31          1HB       LYS  31  -4.594   5.962  -0.289
  244   1HG   LYS  31          2HG       LYS  31  -7.317   6.641  -1.444
  245   2HG   LYS  31          1HG       LYS  31  -6.557   7.505  -0.107
  246   1HD   LYS  31          2HD       LYS  31  -4.588   7.951  -1.615
  247   2HD   LYS  31          1HD       LYS  31  -5.513   7.251  -2.943
  248   1HE   LYS  31          2HE       LYS  31  -7.228   8.964  -2.728
  249   2HE   LYS  31          1HE       LYS  31  -6.457   9.605  -1.264
  250   1HZ   LYS  31          1HZ       LYS  31  -4.771   9.271  -3.625
  251   2HZ   LYS  31          3HZ       LYS  31  -5.901  10.534  -3.683
  252   3HZ   LYS  31          2HZ       LYS  31  -4.744  10.488  -2.439
  253    H    LEU  32           HN       LEU  32  -2.932   4.314  -1.581
  254    HA   LEU  32           HA       LEU  32  -3.249   1.369  -1.439
  255   1HB   LEU  32          2HB       LEU  32  -0.864   3.243  -1.528
  256   2HB   LEU  32          1HB       LEU  32  -0.746   1.484  -1.559
  257    HG   LEU  32           HG       LEU  32  -2.356   1.603  -3.577
  258   1HD1  LEU  32          1HD1      LEU  32  -1.664   4.477  -3.111
  259   2HD1  LEU  32          3HD1      LEU  32  -1.803   3.914  -4.777
  260   3HD1  LEU  32          2HD1      LEU  32  -3.176   3.767  -3.679
  261   1HD2  LEU  32          2HD2      LEU  32   0.522   2.082  -3.368
  262   2HD2  LEU  32          1HD2      LEU  32  -0.358   1.011  -4.458
  263   3HD2  LEU  32          3HD2      LEU  32  -0.158   2.716  -4.867
  264    H    ARG  33           HN       ARG  33  -2.667   0.165   0.415
  265    HA   ARG  33           HA       ARG  33  -2.618   1.703   2.957
  266   1HB   ARG  33          2HB       ARG  33  -2.819  -1.279   2.433
  267   2HB   ARG  33          1HB       ARG  33  -3.250  -0.435   3.920
  268   1HG   ARG  33          2HG       ARG  33  -4.562   0.199   1.270
  269   2HG   ARG  33          1HG       ARG  33  -5.192  -1.039   2.358
  270   1HD   ARG  33          2HD       ARG  33  -5.635   0.557   4.079
  271   2HD   ARG  33          1HD       ARG  33  -4.650   1.799   3.283
  272    HE   ARG  33           HE       ARG  33  -6.650   2.322   2.130
  273   1HH1  ARG  33          1HH1      ARG  33  -7.216  -0.681   3.484
  274   2HH1  ARG  33          2HH1      ARG  33  -8.244  -1.262   2.218
  275   1HH2  ARG  33          1HH2      ARG  33  -7.600   1.414   0.108
  276   2HH2  ARG  33          2HH2      ARG  33  -8.461  -0.076   0.305
  277    H    ASN  34           HN       ASN  34  -0.483   2.355   3.322
  278    HA   ASN  34           HA       ASN  34   1.426   0.488   4.310
  279   1HB   ASN  34          2HB       ASN  34   3.029   0.652   2.327
  280   2HB   ASN  34          1HB       ASN  34   1.589  -0.331   2.056
  281   1HD2  ASN  34          1HD2      ASN  34   2.625   0.540  -0.265
  282   2HD2  ASN  34          2HD2      ASN  34   1.785   1.876  -0.892
  283    H    PHE  35           HN       PHE  35   0.667   2.890   5.333
  284    HA   PHE  35           HA       PHE  35   2.984   4.713   4.754
  285   1HB   PHE  35          2HB       PHE  35   0.183   5.384   5.720
  286   2HB   PHE  35          1HB       PHE  35   1.443   6.543   5.301
  287    HD1  PHE  35           HD1      PHE  35   2.529   4.890   2.910
  288    HD2  PHE  35           HD2      PHE  35  -1.420   6.134   4.054
  289    HE1  PHE  35           HE1      PHE  35   1.815   4.806   0.536
  290    HE2  PHE  35           HE2      PHE  35  -2.134   6.052   1.681
  291    HZ   PHE  35           HZ       PHE  35  -0.516   5.388  -0.078
  292    H    ALA  36           HN       ALA  36   3.858   5.817   6.652
  293    HA   ALA  36           HA       ALA  36   4.375   4.320   8.928
  294   1HB   ALA  36          3HB       ALA  36   4.516   6.761   9.965
  295   2HB   ALA  36          2HB       ALA  36   5.622   6.270   8.682
  296   3HB   ALA  36          1HB       ALA  36   4.205   7.246   8.298
  297    HA   PRO  37           HA       PRO  37   0.124   4.214  10.506
  298   1HB   PRO  37          2HB       PRO  37   1.086   2.326  12.452
  299   2HB   PRO  37          1HB       PRO  37   0.084   2.011  11.034
  300   1HG   PRO  37          2HG       PRO  37   2.803   1.260  11.423
  301   2HG   PRO  37          1HG       PRO  37   1.845   1.075   9.951
  302   1HD   PRO  37          2HD       PRO  37   3.992   2.977  10.509
  303   2HD   PRO  37          1HD       PRO  37   3.190   2.632   8.958
  304    H    ILE  38           HN       ILE  38  -0.251   3.772  13.214
  305    HA   ILE  38           HA       ILE  38   1.476   5.620  14.756
  306    HB   ILE  38           HB       ILE  38  -0.672   6.906  15.365
  307   1HG1  ILE  38          2HG1      ILE  38  -2.017   4.972  14.179
  308   2HG1  ILE  38          1HG1      ILE  38  -2.598   6.634  14.094
  309   1HG2  ILE  38          3HG2      ILE  38   0.484   7.024  12.569
  310   2HG2  ILE  38          2HG2      ILE  38  -0.570   8.264  13.245
  311   3HG2  ILE  38          1HG2      ILE  38   1.005   7.951  13.976
  312   1HD1  ILE  38          1HD1      ILE  38  -0.687   6.064  11.970
  313   2HD1  ILE  38          3HD1      ILE  38  -2.055   4.954  11.924
  314   3HD1  ILE  38          2HD1      ILE  38  -2.329   6.694  11.854
  315    HA   PRO  39           HA       PRO  39  -0.397   1.918  16.958
  316   1HB   PRO  39          2HB       PRO  39   2.149   1.713  18.285
  317   2HB   PRO  39          1HB       PRO  39   1.431   0.593  17.124
  318   1HG   PRO  39          2HG       PRO  39   3.634   2.404  16.717
  319   2HG   PRO  39          1HG       PRO  39   2.943   1.254  15.570
  320   1HD   PRO  39          2HD       PRO  39   2.731   4.124  15.522
  321   2HD   PRO  39          1HD       PRO  39   1.981   2.962  14.402
  322    H    GLY  40           HN       GLY  40  -1.092   1.955  19.155
  323   1HA   GLY  40          1HA       GLY  40  -0.403   4.458  20.636
  324   2HA   GLY  40          2HA       GLY  40  -0.483   2.905  21.467
  325    H    GLU  41           HN       GLU  41  -2.831   2.422  19.368
  326    HA   GLU  41           HA       GLU  41  -4.901   3.878  20.984
  327   1HB   GLU  41          2HB       GLU  41  -6.245   3.656  18.842
  328   2HB   GLU  41          1HB       GLU  41  -4.816   4.680  18.707
  329   1HG   GLU  41          2HG       GLU  41  -3.614   3.063  17.504
  330   2HG   GLU  41          1HG       GLU  41  -4.630   1.742  18.080
  331    HA   PRO  42           HA       PRO  42  -5.246  -0.711  21.744
  332   1HB   PRO  42          2HB       PRO  42  -6.291   0.052  24.314
  333   2HB   PRO  42          1HB       PRO  42  -4.756  -0.743  23.954
  334   1HG   PRO  42          2HG       PRO  42  -5.194   1.978  24.795
  335   2HG   PRO  42          1HG       PRO  42  -3.657   1.171  24.474
  336   1HD   PRO  42          2HD       PRO  42  -4.937   3.201  22.889
  337   2HD   PRO  42          1HD       PRO  42  -3.421   2.340  22.530
  338    H    VAL  43           HN       VAL  43  -7.196  -1.855  21.548
  339    HA   VAL  43           HA       VAL  43  -9.717  -0.226  21.598
  340    HB   VAL  43           HB       VAL  43 -10.426  -1.632  19.712
  341   1HG1  VAL  43          3HG1      VAL  43  -8.203   0.181  19.701
  342   2HG1  VAL  43          2HG1      VAL  43  -7.911  -1.076  18.498
  343   3HG1  VAL  43          1HG1      VAL  43  -9.384  -0.109  18.424
  344   1HG2  VAL  43          1HG2      VAL  43  -8.253  -3.279  20.680
  345   2HG2  VAL  43          3HG2      VAL  43  -9.523  -3.689  19.529
  346   3HG2  VAL  43          2HG2      VAL  43  -8.035  -2.928  18.966
  347    H    VAL  44           HN       VAL  44 -11.541  -2.247  21.341
  348    HA   VAL  44           HA       VAL  44 -12.674  -3.934  22.551
  349    HB   VAL  44           HB       VAL  44  -9.883  -4.654  23.485
  350   1HG1  VAL  44          2HG1      VAL  44 -12.099  -5.780  24.336
  351   2HG1  VAL  44          1HG1      VAL  44 -12.092  -6.556  22.752
  352   3HG1  VAL  44          3HG1      VAL  44 -10.739  -6.797  23.857
  353   1HG2  VAL  44          2HG2      VAL  44 -11.169  -4.809  20.805
  354   2HG2  VAL  44          1HG2      VAL  44  -9.464  -4.655  21.226
  355   3HG2  VAL  44          3HG2      VAL  44 -10.259  -6.225  21.330
  356    HA   PRO  45           HA       PRO  45 -11.743  -1.194  26.353
  357   1HB   PRO  45          2HB       PRO  45 -14.379  -0.091  26.023
  358   2HB   PRO  45          1HB       PRO  45 -12.828   0.742  25.890
  359   1HG   PRO  45          2HG       PRO  45 -14.647   0.046  23.776
  360   2HG   PRO  45          1HG       PRO  45 -13.101   0.888  23.645
  361   1HD   PRO  45          2HD       PRO  45 -13.721  -1.809  22.827
  362   2HD   PRO  45          1HD       PRO  45 -12.162  -0.962  22.705
  363    H    ILE  46           HN       ILE  46 -14.431  -3.091  25.118
  364    HA   ILE  46           HA       ILE  46 -14.745  -4.431  27.720
  365    HB   ILE  46           HB       ILE  46 -16.079  -2.291  27.817
  366   1HG1  ILE  46          2HG1      ILE  46 -17.866  -4.732  27.747
  367   2HG1  ILE  46          1HG1      ILE  46 -16.680  -4.465  29.024
  368   1HG2  ILE  46          1HG2      ILE  46 -16.650  -2.315  25.367
  369   2HG2  ILE  46          3HG2      ILE  46 -17.757  -3.649  25.688
  370   3HG2  ILE  46          2HG2      ILE  46 -18.046  -2.069  26.415
  371   1HD1  ILE  46          2HD1      ILE  46 -17.786  -2.121  29.250
  372   2HD1  ILE  46          1HD1      ILE  46 -19.127  -2.838  28.357
  373   3HD1  ILE  46          3HD1      ILE  46 -18.642  -3.515  29.912
  374    H    LEU  47           HN       LEU  47 -15.980  -3.935  24.418
  375    HA   LEU  47           HA       LEU  47 -16.014  -6.847  23.971
  376   1HB   LEU  47          2HB       LEU  47 -18.161  -6.178  25.164
  377   2HB   LEU  47          1HB       LEU  47 -18.564  -5.224  23.736
  378    HG   LEU  47           HG       LEU  47 -17.848  -7.657  22.644
  379   1HD1  LEU  47          2HD1      LEU  47 -18.762  -8.036  25.425
  380   2HD1  LEU  47          1HD1      LEU  47 -19.627  -9.007  24.232
  381   3HD1  LEU  47          3HD1      LEU  47 -17.873  -9.138  24.372
  382   1HD2  LEU  47          1HD2      LEU  47 -20.038  -5.974  22.686
  383   2HD2  LEU  47          3HD2      LEU  47 -19.931  -7.475  21.766
  384   3HD2  LEU  47          2HD2      LEU  47 -20.691  -7.469  23.357
  385    H    CYS  48           HN       CYS  48 -14.513  -6.260  22.268
  386    HA   CYS  48           HA       CYS  48 -13.893  -5.526  20.102
  387   1HB   CYS  48          2HB       CYS  48 -16.845  -6.167  19.815
  388   2HB   CYS  48          1HB       CYS  48 -15.718  -6.020  18.467
  389    H    SER  49           HN       SER  49 -13.398  -3.364  19.946
  390    HA   SER  49           HA       SER  49 -15.109  -1.181  20.572
  391   1HB   SER  49          2HB       SER  49 -13.386   0.117  19.367
  392   2HB   SER  49          1HB       SER  49 -12.640  -1.118  20.383
  393    HG   SER  49           HG       SER  49 -11.915  -2.078  18.671
  394    H    ASN  50           HN       ASN  50 -13.902  -1.366  17.268
  395    HA   ASN  50           HA       ASN  50 -16.284  -0.267  16.129
  396   1HB   ASN  50          2HB       ASN  50 -13.677  -1.389  15.292
  397   2HB   ASN  50          1HB       ASN  50 -14.942  -1.441  14.064
  398   1HD2  ASN  50          1HD2      ASN  50 -16.102   0.713  13.672
  399   2HD2  ASN  50          2HD2      ASN  50 -15.197   2.138  13.839
  400    HA   PRO  51           HA       PRO  51 -18.525  -4.194  16.215
  401   1HB   PRO  51          2HB       PRO  51 -20.715  -2.779  14.999
  402   2HB   PRO  51          1HB       PRO  51 -20.567  -3.316  16.675
  403   1HG   PRO  51          2HG       PRO  51 -20.476  -0.634  15.696
  404   2HG   PRO  51          1HG       PRO  51 -20.232  -1.179  17.357
  405   1HD   PRO  51          2HD       PRO  51 -18.247  -0.193  15.466
  406   2HD   PRO  51          1HD       PRO  51 -18.033  -0.597  17.185
  407    H    ASN  52           HN       ASN  52 -17.447  -2.200  13.700
  408    HA   ASN  52           HA       ASN  52 -18.272  -4.211  11.633
  409   1HB   ASN  52          2HB       ASN  52 -18.375  -2.288  10.089
  410   2HB   ASN  52          1HB       ASN  52 -19.424  -2.016  11.481
  411   1HD2  ASN  52          1HD2      ASN  52 -19.264   0.223  11.859
  412   2HD2  ASN  52          2HD2      ASN  52 -17.800   1.062  12.035
  413    H    PHE  53           HN       PHE  53 -15.759  -3.916  13.349
  414    HA   PHE  53           HA       PHE  53 -13.653  -3.085  11.480
  415   1HB   PHE  53          2HB       PHE  53 -12.235  -3.462  13.320
  416   2HB   PHE  53          1HB       PHE  53 -13.763  -3.094  14.116
  417    HD1  PHE  53           HD1      PHE  53 -15.297  -5.579  13.766
  418    HD2  PHE  53           HD2      PHE  53 -11.138  -5.022  14.698
  419    HE1  PHE  53           HE1      PHE  53 -15.249  -7.788  14.891
  420    HE2  PHE  53           HE2      PHE  53 -11.092  -7.242  15.823
  421    HZ   PHE  53           HZ       PHE  53 -13.148  -8.616  15.917
  422    HA   PRO  54           HA       PRO  54 -12.707  -6.888   9.500
  423   1HB   PRO  54          2HB       PRO  54 -10.257  -7.585  10.850
  424   2HB   PRO  54          1HB       PRO  54 -10.450  -6.853   9.255
  425   1HG   PRO  54          2HG       PRO  54  -9.520  -5.607  11.679
  426   2HG   PRO  54          1HG       PRO  54  -9.679  -4.885  10.077
  427   1HD   PRO  54          2HD       PRO  54 -11.296  -4.379  12.396
  428   2HD   PRO  54          1HD       PRO  54 -11.507  -3.701  10.764
  429    H    GLU  55           HN       GLU  55 -14.575  -7.635  10.904
  430    HA   GLU  55           HA       GLU  55 -14.613  -8.872  13.333
  431   1HB   GLU  55          2HB       GLU  55 -16.474  -8.688  11.708
  432   2HB   GLU  55          1HB       GLU  55 -15.755  -9.992  10.756
  433   1HG   GLU  55          2HG       GLU  55 -15.931 -11.490  12.745
  434   2HG   GLU  55          1HG       GLU  55 -16.744 -10.192  13.618
  435    H    GLU  56           HN       GLU  56 -12.930 -10.070  10.484
  436    HA   GLU  56           HA       GLU  56 -12.467 -12.761  11.193
  437   1HB   GLU  56          2HB       GLU  56 -10.661 -10.670   9.929
  438   2HB   GLU  56          1HB       GLU  56 -10.339 -12.403   9.892
  439   1HG   GLU  56          2HG       GLU  56 -12.542 -12.750   8.773
  440   2HG   GLU  56          1HG       GLU  56 -12.766 -11.001   8.732
  441    H    LEU  57           HN       LEU  57 -11.464  -9.851  12.742
  442    HA   LEU  57           HA       LEU  57  -9.232 -11.093  14.233
  443   1HB   LEU  57          2HB       LEU  57 -10.563  -8.381  14.507
  444   2HB   LEU  57          1HB       LEU  57  -8.971  -8.834  15.110
  445    HG   LEU  57           HG       LEU  57  -9.831  -8.646  12.212
  446   1HD1  LEU  57          3HD1      LEU  57  -9.299  -6.507  13.401
  447   2HD1  LEU  57          2HD1      LEU  57  -7.702  -7.156  13.774
  448   3HD1  LEU  57          1HD1      LEU  57  -8.166  -6.868  12.098
  449   1HD2  LEU  57          2HD2      LEU  57  -7.745 -10.204  13.488
  450   2HD2  LEU  57          1HD2      LEU  57  -8.238 -10.177  11.796
  451   3HD2  LEU  57          3HD2      LEU  57  -7.056  -9.010  12.388
  452    H    LYS  58           HN       LYS  58 -12.459 -11.462  14.443
  453    HA   LYS  58           HA       LYS  58 -13.497 -10.794  16.880
  454   1HB   LYS  58          2HB       LYS  58 -13.947 -12.692  14.900
  455   2HB   LYS  58          1HB       LYS  58 -13.739 -13.666  16.356
  456   1HG   LYS  58          2HG       LYS  58 -15.390 -12.133  17.506
  457   2HG   LYS  58          1HG       LYS  58 -15.701 -11.395  15.935
  458   1HD   LYS  58          2HD       LYS  58 -16.783 -13.265  15.119
  459   2HD   LYS  58          1HD       LYS  58 -15.840 -14.374  16.116
  460   1HE   LYS  58          2HE       LYS  58 -17.260 -12.803  17.964
  461   2HE   LYS  58          1HE       LYS  58 -18.428 -13.173  16.681
  462   1HZ   LYS  58          1HZ       LYS  58 -17.169 -15.497  16.858
  463   2HZ   LYS  58          3HZ       LYS  58 -16.981 -14.981  18.462
  464   3HZ   LYS  58          2HZ       LYS  58 -18.537 -15.134  17.796
  465    HA   PRO  59           HA       PRO  59 -11.068 -14.489  18.983
  466   1HB   PRO  59          2HB       PRO  59  -8.590 -14.622  17.518
  467   2HB   PRO  59          1HB       PRO  59  -9.791 -15.895  17.745
  468   1HG   PRO  59          2HG       PRO  59  -9.250 -14.330  15.368
  469   2HG   PRO  59          1HG       PRO  59 -10.356 -15.694  15.556
  470   1HD   PRO  59          2HD       PRO  59 -11.064 -12.967  15.193
  471   2HD   PRO  59          1HD       PRO  59 -12.165 -14.297  15.613
  472    H    LEU  60           HN       LEU  60  -9.248 -11.882  17.306
  473    HA   LEU  60           HA       LEU  60  -7.373 -11.333  19.362
  474   1HB   LEU  60          2HB       LEU  60  -8.741  -9.644  17.251
  475   2HB   LEU  60          1HB       LEU  60  -7.381  -9.063  18.213
  476    HG   LEU  60           HG       LEU  60  -7.404 -11.454  16.349
  477   1HD1  LEU  60          1HD1      LEU  60  -7.152  -8.982  15.529
  478   2HD1  LEU  60          3HD1      LEU  60  -5.546  -9.087  16.252
  479   3HD1  LEU  60          2HD1      LEU  60  -6.003 -10.190  14.953
  480   1HD2  LEU  60          2HD2      LEU  60  -5.529 -10.585  18.512
  481   2HD2  LEU  60          1HD2      LEU  60  -5.972 -12.214  18.001
  482   3HD2  LEU  60          3HD2      LEU  60  -4.841 -11.265  17.036
  483    H    CYS  61           HN       CYS  61 -10.688 -10.070  18.846
  484    HA   CYS  61           HA       CYS  61 -10.627  -8.226  21.061
  485   1HB   CYS  61          2HB       CYS  61 -12.218  -7.881  19.343
  486   2HB   CYS  61          1HB       CYS  61 -12.723  -9.569  19.353
  487    H    LYS  62           HN       LYS  62 -11.436 -11.653  20.741
  488    HA   LYS  62           HA       LYS  62 -12.641 -11.855  23.396
  489   1HB   LYS  62          2HB       LYS  62 -11.663 -13.856  21.338
  490   2HB   LYS  62          1HB       LYS  62 -12.548 -14.299  22.798
  491   1HG   LYS  62          2HG       LYS  62 -14.423 -12.836  22.082
  492   2HG   LYS  62          1HG       LYS  62 -13.542 -12.456  20.602
  493   1HD   LYS  62          2HD       LYS  62 -15.125 -14.231  20.115
  494   2HD   LYS  62          1HD       LYS  62 -13.499 -14.911  20.073
  495   1HE   LYS  62          2HE       LYS  62 -13.898 -16.251  21.883
  496   2HE   LYS  62          1HE       LYS  62 -14.785 -14.976  22.740
  497   1HZ   LYS  62          1HZ       LYS  62 -16.562 -15.302  20.992
  498   2HZ   LYS  62          3HZ       LYS  62 -15.756 -16.726  20.548
  499   3HZ   LYS  62          2HZ       LYS  62 -16.396 -16.566  22.114
  500    H    GLU  63           HN       GLU  63  -9.511 -11.286  22.550
  501    HA   GLU  63           HA       GLU  63  -8.471 -12.929  24.839
  502   1HB   GLU  63          2HB       GLU  63  -6.326 -12.948  23.529
  503   2HB   GLU  63          1HB       GLU  63  -7.655 -13.756  22.698
  504   1HG   GLU  63          2HG       GLU  63  -8.028 -11.857  21.277
  505   2HG   GLU  63          1HG       GLU  63  -6.938 -10.852  22.232
  506    HA   PRO  64           HA       PRO  64  -7.495  -9.032  26.678
  507   1HB   PRO  64          2HB       PRO  64  -5.304 -10.220  28.114
  508   2HB   PRO  64          1HB       PRO  64  -6.916  -9.827  28.717
  509   1HG   PRO  64          2HG       PRO  64  -5.818 -12.426  28.177
  510   2HG   PRO  64          1HG       PRO  64  -7.430 -12.033  28.780
  511   1HD   PRO  64          2HD       PRO  64  -6.708 -13.006  26.159
  512   2HD   PRO  64          1HD       PRO  64  -8.332 -12.607  26.765
  513    H    ASN  65           HN       ASN  65  -5.289 -10.945  24.813
  514    HA   ASN  65           HA       ASN  65  -3.071  -9.038  24.882
  515   1HB   ASN  65          2HB       ASN  65  -3.722 -11.345  23.019
  516   2HB   ASN  65          1HB       ASN  65  -2.145 -10.576  23.199
  517   1HD2  ASN  65          1HD2      ASN  65  -2.042 -10.301  26.027
  518   2HD2  ASN  65          2HD2      ASN  65  -2.017 -11.847  26.729
  519    H    ALA  66           HN       ALA  66  -6.088  -9.103  23.328
  520    HA   ALA  66           HA       ALA  66  -5.647  -8.176  20.719
  521   1HB   ALA  66          2HB       ALA  66  -7.760  -8.466  22.493
  522   2HB   ALA  66          3HB       ALA  66  -7.896  -7.855  20.844
  523   3HB   ALA  66          1HB       ALA  66  -7.736  -6.728  22.192
  524    H    GLN  67           HN       GLN  67  -5.394  -6.418  23.783
  525    HA   GLN  67           HA       GLN  67  -5.177  -3.766  22.725
  526   1HB   GLN  67          2HB       GLN  67  -4.034  -5.116  25.194
  527   2HB   GLN  67          1HB       GLN  67  -4.061  -3.370  24.947
  528   1HG   GLN  67          2HG       GLN  67  -6.551  -3.508  24.676
  529   2HG   GLN  67          1HG       GLN  67  -6.462  -5.217  25.097
  530   1HE2  GLN  67          1HE2      GLN  67  -4.026  -3.909  26.890
  531   2HE2  GLN  67          2HE2      GLN  67  -4.873  -3.530  28.310
  532    H    GLU  68           HN       GLU  68  -2.761  -6.318  23.299
  533    HA   GLU  68           HA       GLU  68  -0.516  -4.630  22.456
  534   1HB   GLU  68          2HB       GLU  68  -0.871  -7.598  22.998
  535   2HB   GLU  68          1HB       GLU  68   0.687  -6.832  22.679
  536   1HG   GLU  68          2HG       GLU  68   0.316  -5.328  24.628
  537   2HG   GLU  68          1HG       GLU  68  -1.197  -6.171  24.964
  538    H    ILE  69           HN       ILE  69  -2.398  -7.334  21.082
  539    HA   ILE  69           HA       ILE  69  -0.983  -7.553  18.602
  540    HB   ILE  69           HB       ILE  69  -3.893  -8.057  19.317
  541   1HG1  ILE  69          2HG1      ILE  69  -1.491  -9.908  19.318
  542   2HG1  ILE  69          1HG1      ILE  69  -2.288  -9.269  20.755
  543   1HG2  ILE  69          1HG2      ILE  69  -2.212  -8.673  16.916
  544   2HG2  ILE  69          3HG2      ILE  69  -3.424  -9.851  17.420
  545   3HG2  ILE  69          2HG2      ILE  69  -3.911  -8.209  17.003
  546   1HD1  ILE  69          1HD1      ILE  69  -4.396 -10.370  20.070
  547   2HD1  ILE  69          3HD1      ILE  69  -3.592 -11.015  18.640
  548   3HD1  ILE  69          2HD1      ILE  69  -3.095 -11.547  20.246
  549    H    LEU  70           HN       LEU  70  -3.764  -5.586  19.606
  550    HA   LEU  70           HA       LEU  70  -4.651  -4.488  17.218
  551   1HB   LEU  70          2HB       LEU  70  -5.659  -4.001  19.355
  552   2HB   LEU  70          1HB       LEU  70  -4.177  -3.249  19.943
  553    HG   LEU  70           HG       LEU  70  -6.113  -1.715  19.094
  554   1HD1  LEU  70          1HD1      LEU  70  -3.503  -1.292  19.477
  555   2HD1  LEU  70          3HD1      LEU  70  -3.535  -1.066  17.729
  556   3HD1  LEU  70          2HD1      LEU  70  -4.540  -0.056  18.765
  557   1HD2  LEU  70          1HD2      LEU  70  -6.308  -3.080  16.945
  558   2HD2  LEU  70          3HD2      LEU  70  -6.202  -1.333  16.735
  559   3HD2  LEU  70          2HD2      LEU  70  -4.785  -2.342  16.450
  560    H    GLN  71           HN       GLN  71  -2.234  -2.779  19.260
  561    HA   GLN  71           HA       GLN  71  -1.404  -0.846  17.446
  562   1HB   GLN  71          2HB       GLN  71   0.233  -2.492  19.400
  563   2HB   GLN  71          1HB       GLN  71   0.751  -0.953  18.712
  564   1HG   GLN  71          2HG       GLN  71  -1.218   0.156  19.702
  565   2HG   GLN  71          1HG       GLN  71  -1.749  -1.382  20.380
  566   1HE2  GLN  71          1HE2      GLN  71  -1.198   0.781  22.121
  567   2HE2  GLN  71          2HE2      GLN  71   0.210   0.441  23.004
  568    H    ARG  72           HN       ARG  72   0.105  -4.085  17.805
  569    HA   ARG  72           HA       ARG  72   1.949  -3.894  15.674
  570   1HB   ARG  72          2HB       ARG  72   1.724  -5.681  17.444
  571   2HB   ARG  72          1HB       ARG  72   0.359  -6.330  16.538
  572   1HG   ARG  72          2HG       ARG  72   2.200  -7.599  15.768
  573   2HG   ARG  72          1HG       ARG  72   1.982  -6.375  14.518
  574   1HD   ARG  72          2HD       ARG  72   4.302  -6.259  14.934
  575   2HD   ARG  72          1HD       ARG  72   3.676  -4.983  15.996
  576    HE   ARG  72           HE       ARG  72   3.635  -7.562  17.316
  577   1HH1  ARG  72          1HH1      ARG  72   4.730  -4.535  17.778
  578   2HH1  ARG  72          2HH1      ARG  72   6.291  -4.950  18.402
  579   1HH2  ARG  72          1HH2      ARG  72   6.052  -8.292  17.505
  580   2HH2  ARG  72          2HH2      ARG  72   7.040  -7.079  18.249
  581    H    LEU  73           HN       LEU  73  -1.329  -5.346  15.579
  582    HA   LEU  73           HA       LEU  73  -1.490  -5.943  12.854
  583   1HB   LEU  73          2HB       LEU  73  -3.127  -6.327  14.798
  584   2HB   LEU  73          1HB       LEU  73  -3.720  -4.698  14.479
  585    HG   LEU  73           HG       LEU  73  -4.438  -5.280  12.287
  586   1HD1  LEU  73          3HD1      LEU  73  -2.638  -7.655  12.694
  587   2HD1  LEU  73          2HD1      LEU  73  -3.952  -7.739  11.519
  588   3HD1  LEU  73          1HD1      LEU  73  -2.688  -6.520  11.345
  589   1HD2  LEU  73          3HD2      LEU  73  -4.994  -7.535  14.229
  590   2HD2  LEU  73          2HD2      LEU  73  -5.990  -6.111  13.930
  591   3HD2  LEU  73          1HD2      LEU  73  -5.836  -7.356  12.690
  592    H    GLU  74           HN       GLU  74  -2.513  -2.859  14.395
  593    HA   GLU  74           HA       GLU  74  -3.214  -1.413  12.097
  594   1HB   GLU  74          2HB       GLU  74  -1.700  -0.472  14.556
  595   2HB   GLU  74          1HB       GLU  74  -2.647   0.555  13.480
  596   1HG   GLU  74          2HG       GLU  74  -4.659  -0.840  14.017
  597   2HG   GLU  74          1HG       GLU  74  -3.685  -1.716  15.195
  598    H    GLU  75           HN       GLU  75   0.045  -1.782  13.546
  599    HA   GLU  75           HA       GLU  75   1.510  -0.120  11.810
  600   1HB   GLU  75          2HB       GLU  75   2.152  -2.755  13.164
  601   2HB   GLU  75          1HB       GLU  75   3.374  -1.747  12.388
  602   1HG   GLU  75          2HG       GLU  75   2.703   0.144  13.868
  603   2HG   GLU  75          1HG       GLU  75   1.564  -0.930  14.682
  604    H    ILE  76           HN       ILE  76   0.915  -3.642  11.441
  605    HA   ILE  76           HA       ILE  76   2.120  -3.898   8.868
  606    HB   ILE  76           HB       ILE  76  -0.155  -5.409  10.197
  607   1HG1  ILE  76          2HG1      ILE  76   2.855  -5.611  10.288
  608   2HG1  ILE  76          1HG1      ILE  76   1.719  -5.543  11.635
  609   1HG2  ILE  76          3HG2      ILE  76   0.730  -5.600   7.562
  610   2HG2  ILE  76          2HG2      ILE  76   1.611  -6.884   8.392
  611   3HG2  ILE  76          1HG2      ILE  76  -0.150  -6.845   8.450
  612   1HD1  ILE  76          3HD1      ILE  76   0.798  -7.778  10.556
  613   2HD1  ILE  76          2HD1      ILE  76   2.412  -7.852   9.849
  614   3HD1  ILE  76          1HD1      ILE  76   2.218  -7.817  11.601
  615    H    ALA  77           HN       ALA  77  -1.203  -3.071   9.842
  616    HA   ALA  77           HA       ALA  77  -2.437  -3.159   7.279
  617   1HB   ALA  77          2HB       ALA  77  -3.127  -2.583   9.883
  618   2HB   ALA  77          3HB       ALA  77  -4.200  -2.381   8.498
  619   3HB   ALA  77          1HB       ALA  77  -3.279  -1.006   9.108
  620    H    GLU  78           HN       GLU  78  -0.566  -0.603   8.885
  621    HA   GLU  78           HA       GLU  78  -0.846   1.116   6.457
  622   1HB   GLU  78          2HB       GLU  78   0.178   1.637   9.267
  623   2HB   GLU  78          1HB       GLU  78   0.011   2.861   8.009
  624   1HG   GLU  78          2HG       GLU  78  -2.412   2.410   7.888
  625   2HG   GLU  78          1HG       GLU  78  -2.247   1.186   9.146
  626    H    ASP  79           HN       ASP  79   1.036  -1.328   7.232
  627    HA   ASP  79           HA       ASP  79   3.369  -0.290   5.778
  628   1HB   ASP  79          2HB       ASP  79   3.363   0.167   8.432
  629   2HB   ASP  79          1HB       ASP  79   3.996  -1.480   8.440
  630    HA   PRO  80           HA       PRO  80   2.551  -4.602   4.658
  631   1HB   PRO  80          2HB       PRO  80   4.672  -4.292   2.732
  632   2HB   PRO  80          1HB       PRO  80   2.932  -4.366   2.439
  633   1HG   PRO  80          2HG       PRO  80   4.669  -2.065   2.298
  634   2HG   PRO  80          1HG       PRO  80   2.945  -2.158   1.930
  635   1HD   PRO  80          2HD       PRO  80   4.172  -0.882   4.183
  636   2HD   PRO  80          1HD       PRO  80   2.431  -1.086   3.877
  637    H    GLY  81           HN       GLY  81   5.976  -3.551   4.320
  638   1HA   GLY  81          1HA       GLY  81   6.786  -5.195   6.599
  639   2HA   GLY  81          2HA       GLY  81   7.862  -4.264   5.557
  640    H    THR  82           HN       THR  82   7.672  -7.231   6.503
  641    HA   THR  82           HA       THR  82   8.737  -8.371   4.032
  642    HB   THR  82           HB       THR  82   9.071 -10.328   5.509
  643    HG1  THR  82          1HG       THR  82   7.047 -10.016   6.623
  644   1HG2  THR  82          1HG2      THR  82  10.337  -7.959   5.693
  645   2HG2  THR  82          3HG2      THR  82   9.690  -8.059   7.331
  646   3HG2  THR  82          2HG2      THR  82  10.746  -9.334   6.721
  647    H    CYS  83           HN       CYS  83   5.659  -8.316   5.668
  648    HA   CYS  83           HA       CYS  83   4.351 -10.632   4.894
  649   1HB   CYS  83          2HB       CYS  83   3.604  -8.437   6.102
  650   2HB   CYS  83          1HB       CYS  83   3.119  -7.910   4.491
  651    H    GLU  84           HN       GLU  84   4.425  -7.656   2.893
  652    HA   GLU  84           HA       GLU  84   3.226  -8.728   0.578
  653   1HB   GLU  84          2HB       GLU  84   5.157  -6.504   1.185
  654   2HB   GLU  84          1HB       GLU  84   4.669  -6.817  -0.481
  655   1HG   GLU  84          2HG       GLU  84   2.254  -6.760   0.379
  656   2HG   GLU  84          1HG       GLU  84   2.912  -6.081   1.867
  657    H    ILE  85           HN       ILE  85   6.673  -8.769   1.527
  658    HA   ILE  85           HA       ILE  85   7.401 -10.072  -1.025
  659    HB   ILE  85           HB       ILE  85   9.672  -9.816  -0.158
  660   1HG1  ILE  85          2HG1      ILE  85   8.238  -9.162   2.424
  661   2HG1  ILE  85          1HG1      ILE  85   9.389 -10.466   2.138
  662   1HG2  ILE  85          1HG2      ILE  85   7.755  -7.689  -0.401
  663   2HG2  ILE  85          3HG2      ILE  85   8.933  -7.258   0.838
  664   3HG2  ILE  85          2HG2      ILE  85   9.475  -7.664  -0.789
  665   1HD1  ILE  85          2HD1      ILE  85  10.883  -8.325   1.386
  666   2HD1  ILE  85          1HD1      ILE  85   9.871  -7.582   2.624
  667   3HD1  ILE  85          3HD1      ILE  85  10.877  -8.973   3.027
  668    H    CYS  86           HN       CYS  86   5.788 -11.266   1.452
  669    HA   CYS  86           HA       CYS  86   5.595 -13.396   2.458
  670   1HB   CYS  86          2HB       CYS  86   7.190 -14.100  -0.026
  671   2HB   CYS  86          1HB       CYS  86   6.167 -15.200   0.898
  672    H    ALA  87           HN       ALA  87   8.223 -11.728   2.822
  673    HA   ALA  87           HA       ALA  87  10.317 -13.706   3.227
  674   1HB   ALA  87          1HB       ALA  87   9.821 -10.815   3.905
  675   2HB   ALA  87          3HB       ALA  87  11.218 -11.645   4.587
  676   3HB   ALA  87          2HB       ALA  87  11.042 -11.505   2.838
  677    H    TYR  88           HN       TYR  88   7.463 -13.130   4.874
  678    HA   TYR  88           HA       TYR  88   8.457 -14.573   7.266
  679   1HB   TYR  88          2HB       TYR  88   7.714 -11.714   7.086
  680   2HB   TYR  88          1HB       TYR  88   6.983 -12.585   8.434
  681    HD1  TYR  88           HD1      TYR  88  10.169 -11.550   6.870
  682    HD2  TYR  88           HD2      TYR  88   8.329 -13.465  10.248
  683    HE1  TYR  88           HE1      TYR  88  12.319 -11.441   8.103
  684    HE2  TYR  88           HE2      TYR  88  10.479 -13.356  11.480
  685    HH   TYR  88           HH       TYR  88  12.608 -11.759  11.319
  686    H    ALA  89           HN       ALA  89   6.514 -15.057   8.740
  687    HA   ALA  89           HA       ALA  89   4.361 -16.200   7.143
  688   1HB   ALA  89          3HB       ALA  89   5.547 -16.494   9.698
  689   2HB   ALA  89          2HB       ALA  89   3.851 -16.107   9.985
  690   3HB   ALA  89          1HB       ALA  89   4.282 -17.498   8.990
  691    H    ALA  90           HN       ALA  90   4.860 -13.065   7.976
  692    HA   ALA  90           HA       ALA  90   2.403 -12.210   9.169
  693   1HB   ALA  90          3HB       ALA  90   4.730 -11.061   8.674
  694   2HB   ALA  90          2HB       ALA  90   3.936 -10.563   7.181
  695   3HB   ALA  90          1HB       ALA  90   3.265 -10.083   8.740
  696    H    CYS  91           HN       CYS  91   3.284 -12.902   5.810
  697    HA   CYS  91           HA       CYS  91   0.514 -12.102   4.981
  698   1HB   CYS  91          2HB       CYS  91   3.209 -11.728   3.915
  699   2HB   CYS  91          1HB       CYS  91   2.103 -12.387   2.712
  700    H    THR  92           HN       THR  92  -0.803 -13.775   4.426
  701    HA   THR  92           HA       THR  92   0.463 -16.402   3.723
  702    HB   THR  92           HB       THR  92  -1.512 -17.384   4.737
  703    HG1  THR  92          1HG       THR  92  -3.073 -15.954   4.069
  704   1HG2  THR  92          2HG2      THR  92   0.388 -16.142   6.131
  705   2HG2  THR  92          1HG2      THR  92  -0.971 -15.135   6.625
  706   3HG2  THR  92          3HG2      THR  92  -1.004 -16.872   6.930
  707    H    GLY  93           HN       GLY  93  -0.492 -17.594   1.977
  708   1HA   GLY  93          1HA       GLY  93  -2.529 -16.173   0.341
  709   2HA   GLY  93          2HA       GLY  93  -2.096 -17.876   0.180
  710    H    CYS  94           HN       CYS  94   0.478 -15.586   0.536
  711    HA   CYS  94           HA       CYS  94   1.018 -14.619  -1.999
  712   1HB   CYS  94          2HB       CYS  94   2.397 -14.212  -0.026
  713   2HB   CYS  94          1HB       CYS  94   2.885 -15.906   0.018

  No H/Q in entry =         713
  Start of MODEL   20
    1    H1   VAL   1          1H        VAL   1  -2.787 -11.435  -0.468
    2    H2   VAL   1          3H        VAL   1  -1.757 -12.542  -1.237
    3    H3   VAL   1          2H        VAL   1  -3.113 -13.100  -0.378
    4    HA   VAL   1           HA       VAL   1  -1.323 -13.507   1.068
    5    HB   VAL   1           HB       VAL   1   0.318 -12.292  -0.226
    6   1HG1  VAL   1          1HG1      VAL   1  -1.613 -10.117   0.161
    7   2HG1  VAL   1          3HG1      VAL   1   0.057  -9.609   0.411
    8   3HG1  VAL   1          2HG1      VAL   1  -0.421 -10.344  -1.119
    9   1HG2  VAL   1          2HG2      VAL   1   0.008 -11.076   2.537
   10   2HG2  VAL   1          1HG2      VAL   1   0.879 -12.558   2.142
   11   3HG2  VAL   1          3HG2      VAL   1   1.477 -11.004   1.564
   12    H    THR   2           HN       THR   2  -2.173 -13.448   3.110
   13    HA   THR   2           HA       THR   2  -3.517 -10.920   4.012
   14    HB   THR   2           HB       THR   2  -4.042 -13.812   4.770
   15    HG1  THR   2          1HG       THR   2  -5.282 -13.854   3.094
   16   1HG2  THR   2          2HG2      THR   2  -5.013 -11.209   5.743
   17   2HG2  THR   2          1HG2      THR   2  -6.295 -12.352   5.341
   18   3HG2  THR   2          3HG2      THR   2  -5.059 -12.791   6.521
   19    H    VAL   3           HN       VAL   3  -3.234 -10.368   6.277
   20    HA   VAL   3           HA       VAL   3  -0.605 -11.120   7.349
   21    HB   VAL   3           HB       VAL   3  -2.866  -9.337   8.315
   22   1HG1  VAL   3          2HG1      VAL   3  -0.029  -9.695   9.319
   23   2HG1  VAL   3          1HG1      VAL   3  -1.074  -8.351   9.779
   24   3HG1  VAL   3          3HG1      VAL   3  -1.515 -10.001  10.217
   25   1HG2  VAL   3          2HG2      VAL   3  -0.703  -9.045   6.375
   26   2HG2  VAL   3          1HG2      VAL   3  -2.096  -8.004   6.659
   27   3HG2  VAL   3          3HG2      VAL   3  -0.638  -7.809   7.630
   28    H    GLN   4           HN       GLN   4  -0.342 -12.859   8.701
   29    HA   GLN   4           HA       GLN   4  -2.756 -13.876  10.161
   30   1HB   GLN   4          2HB       GLN   4  -1.678 -15.304   8.405
   31   2HB   GLN   4          1HB       GLN   4  -0.194 -15.292   9.359
   32   1HG   GLN   4          2HG       GLN   4  -1.324 -16.381  11.217
   33   2HG   GLN   4          1HG       GLN   4  -2.875 -16.272  10.384
   34   1HE2  GLN   4          1HE2      GLN   4  -2.181 -18.821  11.061
   35   2HE2  GLN   4          2HE2      GLN   4  -1.616 -19.692   9.718
   36    H    ASP   5           HN       ASP   5  -2.703 -13.531  12.331
   37    HA   ASP   5           HA       ASP   5  -0.092 -12.968  13.659
   38   1HB   ASP   5          2HB       ASP   5  -3.001 -12.586  14.442
   39   2HB   ASP   5          1HB       ASP   5  -1.639 -12.148  15.474
   40    H    GLY   6           HN       GLY   6  -1.585 -15.680  12.919
   41   1HA   GLY   6          1HA       GLY   6  -2.128 -16.989  15.415
   42   2HA   GLY   6          2HA       GLY   6  -0.459 -17.300  14.930
   43    H    ASN   7           HN       ASN   7  -3.223 -18.854  14.913
   44    HA   ASN   7           HA       ASN   7  -2.597 -20.326  12.421
   45   1HB   ASN   7          2HB       ASN   7  -4.518 -20.784  14.727
   46   2HB   ASN   7          1HB       ASN   7  -4.234 -21.935  13.420
   47   1HD2  ASN   7          1HD2      ASN   7  -3.636 -22.669  16.099
   48   2HD2  ASN   7          2HD2      ASN   7  -1.953 -22.792  16.275
   49    H    PHE   8           HN       PHE   8  -4.142 -17.595  12.783
   50    HA   PHE   8           HA       PHE   8  -6.412 -18.347  10.971
   51   1HB   PHE   8          2HB       PHE   8  -6.330 -16.297  13.210
   52   2HB   PHE   8          1HB       PHE   8  -7.716 -16.608  12.166
   53    HD1  PHE   8           HD1      PHE   8  -9.002 -18.687  12.358
   54    HD2  PHE   8           HD2      PHE   8  -5.634 -17.907  14.909
   55    HE1  PHE   8           HE1      PHE   8  -9.700 -20.543  13.849
   56    HE2  PHE   8           HE2      PHE   8  -6.333 -19.762  16.398
   57    HZ   PHE   8           HZ       PHE   8  -8.366 -21.080  15.869
   58    H    SER   9           HN       SER   9  -6.331 -17.231   9.054
   59    HA   SER   9           HA       SER   9  -4.293 -15.174   8.628
   60   1HB   SER   9          2HB       SER   9  -4.888 -15.462   6.349
   61   2HB   SER   9          1HB       SER   9  -5.166 -17.051   7.061
   62    HG   SER   9           HG       SER   9  -6.901 -16.140   5.722
   63    H    PHE  10           HN       PHE  10  -4.649 -13.026   9.010
   64    HA   PHE  10           HA       PHE  10  -7.485 -12.042   9.050
   65   1HB   PHE  10          2HB       PHE  10  -4.986 -11.182  10.539
   66   2HB   PHE  10          1HB       PHE  10  -6.538 -10.350  10.650
   67    HD1  PHE  10           HD1      PHE  10  -8.593 -11.754  11.363
   68    HD2  PHE  10           HD2      PHE  10  -4.529 -13.036  11.908
   69    HE1  PHE  10           HE1      PHE  10  -9.334 -13.375  13.087
   70    HE2  PHE  10           HE2      PHE  10  -5.271 -14.656  13.630
   71    HZ   PHE  10           HZ       PHE  10  -7.673 -14.827  14.222
   72    H    SER  11           HN       SER  11  -7.956 -10.594   7.433
   73    HA   SER  11           HA       SER  11  -5.996  -9.630   5.564
   74   1HB   SER  11          2HB       SER  11  -7.893  -8.429   4.651
   75   2HB   SER  11          1HB       SER  11  -8.486  -9.982   5.238
   76    HG   SER  11           HG       SER  11  -8.682  -7.446   6.469
   77    H    LEU  12           HN       LEU  12  -5.558  -7.246   5.213
   78    HA   LEU  12           HA       LEU  12  -5.188  -5.872   7.848
   79   1HB   LEU  12          2HB       LEU  12  -3.265  -6.653   6.298
   80   2HB   LEU  12          1HB       LEU  12  -3.741  -5.312   5.259
   81    HG   LEU  12           HG       LEU  12  -3.437  -3.744   7.137
   82   1HD1  LEU  12          1HD1      LEU  12  -3.530  -6.160   8.654
   83   2HD1  LEU  12          3HD1      LEU  12  -1.954  -5.417   8.927
   84   3HD1  LEU  12          2HD1      LEU  12  -3.427  -4.504   9.256
   85   1HD2  LEU  12          2HD2      LEU  12  -1.526  -4.433   5.604
   86   2HD2  LEU  12          1HD2      LEU  12  -1.040  -3.775   7.165
   87   3HD2  LEU  12          3HD2      LEU  12  -0.995  -5.516   6.891
   88    H    GLU  13           HN       GLU  13  -6.983  -5.711   4.958
   89    HA   GLU  13           HA       GLU  13  -7.091  -2.922   4.416
   90   1HB   GLU  13          2HB       GLU  13  -7.989  -4.821   3.044
   91   2HB   GLU  13          1HB       GLU  13  -9.299  -4.993   4.213
   92   1HG   GLU  13          2HG       GLU  13  -9.969  -2.641   3.775
   93   2HG   GLU  13          1HG       GLU  13  -8.687  -2.516   2.570
   94    H    SER  14           HN       SER  14  -9.718  -4.722   6.062
   95    HA   SER  14           HA       SER  14 -11.132  -2.602   7.147
   96   1HB   SER  14          2HB       SER  14 -10.450  -5.123   8.672
   97   2HB   SER  14          1HB       SER  14 -11.958  -4.209   8.721
   98    HG   SER  14           HG       SER  14 -12.572  -5.077   6.891
   99    H    VAL  15           HN       VAL  15  -8.163  -4.063   8.488
  100    HA   VAL  15           HA       VAL  15  -8.130  -2.542  10.921
  101    HB   VAL  15           HB       VAL  15  -6.085  -3.977   9.226
  102   1HG1  VAL  15          2HG1      VAL  15  -5.051  -2.028  10.486
  103   2HG1  VAL  15          1HG1      VAL  15  -5.586  -2.807  11.976
  104   3HG1  VAL  15          3HG1      VAL  15  -4.420  -3.615  10.928
  105   1HG2  VAL  15          1HG2      VAL  15  -7.811  -4.536  11.578
  106   2HG2  VAL  15          3HG2      VAL  15  -7.240  -5.630  10.316
  107   3HG2  VAL  15          2HG2      VAL  15  -6.175  -5.193  11.652
  108    H    LYS  16           HN       LYS  16  -6.471  -2.017   7.780
  109    HA   LYS  16           HA       LYS  16  -5.191   0.427   8.418
  110   1HB   LYS  16          2HB       LYS  16  -6.383  -0.756   5.900
  111   2HB   LYS  16          1HB       LYS  16  -5.521   0.782   5.875
  112   1HG   LYS  16          2HG       LYS  16  -3.540  -0.315   6.868
  113   2HG   LYS  16          1HG       LYS  16  -4.402  -1.854   6.882
  114   1HD   LYS  16          2HD       LYS  16  -4.674  -1.639   4.390
  115   2HD   LYS  16          1HD       LYS  16  -3.625  -0.223   4.449
  116   1HE   LYS  16          2HE       LYS  16  -1.740  -1.495   5.074
  117   2HE   LYS  16          1HE       LYS  16  -2.733  -2.845   5.656
  118   1HZ   LYS  16          3HZ       LYS  16  -2.770  -1.923   2.836
  119   2HZ   LYS  16          2HZ       LYS  16  -1.708  -3.134   3.378
  120   3HZ   LYS  16          1HZ       LYS  16  -3.388  -3.371   3.465
  121    H    LYS  17           HN       LYS  17  -8.425  -0.111   6.967
  122    HA   LYS  17           HA       LYS  17  -9.171   2.711   7.238
  123   1HB   LYS  17          2HB       LYS  17 -10.715   0.181   6.563
  124   2HB   LYS  17          1HB       LYS  17 -11.335   1.821   6.370
  125   1HG   LYS  17          2HG       LYS  17  -9.500   2.331   4.800
  126   2HG   LYS  17          1HG       LYS  17  -8.880   0.691   4.990
  127   1HD   LYS  17          2HD       LYS  17 -11.050  -0.195   4.146
  128   2HD   LYS  17          1HD       LYS  17 -11.600   1.462   3.886
  129   1HE   LYS  17          2HE       LYS  17  -9.066   0.363   2.628
  130   2HE   LYS  17          1HE       LYS  17 -10.643   0.334   1.815
  131   1HZ   LYS  17          1HZ       LYS  17 -10.829   2.723   2.194
  132   2HZ   LYS  17          3HZ       LYS  17  -9.311   2.744   2.950
  133   3HZ   LYS  17          2HZ       LYS  17  -9.429   2.374   1.295
  134    H    LEU  18           HN       LEU  18  -8.740   0.367   9.494
  135    HA   LEU  18           HA       LEU  18 -11.101   0.219  11.040
  136   1HB   LEU  18          2HB       LEU  18  -8.974  -1.076  11.268
  137   2HB   LEU  18          1HB       LEU  18  -8.201   0.364  11.930
  138    HG   LEU  18           HG       LEU  18  -9.656   0.356  13.848
  139   1HD1  LEU  18          1HD1      LEU  18 -11.167  -1.709  12.254
  140   2HD1  LEU  18          3HD1      LEU  18 -11.370  -1.569  13.998
  141   3HD1  LEU  18          2HD1      LEU  18 -11.775  -0.209  12.950
  142   1HD2  LEU  18          3HD2      LEU  18  -7.748  -1.374  13.675
  143   2HD2  LEU  18          2HD2      LEU  18  -8.980  -1.669  14.902
  144   3HD2  LEU  18          1HD2      LEU  18  -9.017  -2.565  13.384
  145    H    LYS  19           HN       LYS  19  -8.799   2.843  10.647
  146    HA   LYS  19           HA       LYS  19  -9.355   4.346  13.010
  147   1HB   LYS  19          2HB       LYS  19  -7.496   4.744  11.422
  148   2HB   LYS  19          1HB       LYS  19  -8.657   5.240  10.191
  149   1HG   LYS  19          2HG       LYS  19  -9.449   7.032  11.788
  150   2HG   LYS  19          1HG       LYS  19  -8.097   6.608  12.837
  151   1HD   LYS  19          2HD       LYS  19  -6.573   7.004  10.839
  152   2HD   LYS  19          1HD       LYS  19  -7.973   7.688  10.010
  153   1HE   LYS  19          2HE       LYS  19  -7.753   8.827  12.666
  154   2HE   LYS  19          1HE       LYS  19  -6.236   9.046  11.774
  155   1HZ   LYS  19          2HZ       LYS  19  -7.773   9.623   9.821
  156   2HZ   LYS  19          1HZ       LYS  19  -8.975   9.854  10.999
  157   3HZ   LYS  19          3HZ       LYS  19  -7.566  10.797  11.032
  158    H    ASP  20           HN       ASP  20 -11.018   4.150   9.882
  159    HA   ASP  20           HA       ASP  20 -12.947   6.260  10.612
  160   1HB   ASP  20          2HB       ASP  20 -12.055   5.923   8.311
  161   2HB   ASP  20          1HB       ASP  20 -12.796   4.322   8.276
  162    H    LEU  21           HN       LEU  21 -14.457   5.638  12.137
  163    HA   LEU  21           HA       LEU  21 -15.562   2.864  11.999
  164   1HB   LEU  21          2HB       LEU  21 -14.852   4.801  14.066
  165   2HB   LEU  21          1HB       LEU  21 -16.467   4.136  14.307
  166    HG   LEU  21           HG       LEU  21 -14.552   2.818  15.367
  167   1HD1  LEU  21          2HD1      LEU  21 -16.832   1.899  14.858
  168   2HD1  LEU  21          1HD1      LEU  21 -16.212   1.342  13.303
  169   3HD1  LEU  21          3HD1      LEU  21 -15.558   0.681  14.802
  170   1HD2  LEU  21          2HD2      LEU  21 -13.825   2.706  12.487
  171   2HD2  LEU  21          1HD2      LEU  21 -12.794   2.621  13.913
  172   3HD2  LEU  21          3HD2      LEU  21 -13.680   1.194  13.380
  173    H    GLN  22           HN       GLN  22 -17.950   2.694  12.446
  174    HA   GLN  22           HA       GLN  22 -20.189   3.268  11.949
  175   1HB   GLN  22          2HB       GLN  22 -19.455   5.097  13.562
  176   2HB   GLN  22          1HB       GLN  22 -19.132   6.101  12.149
  177   1HG   GLN  22          2HG       GLN  22 -21.480   5.838  11.426
  178   2HG   GLN  22          1HG       GLN  22 -21.803   4.839  12.843
  179   1HE2  GLN  22          1HE2      GLN  22 -23.324   7.141  12.618
  180   2HE2  GLN  22          2HE2      GLN  22 -22.805   8.313  13.730
  181    H    GLU  23           HN       GLU  23 -18.891   2.540   9.709
  182    HA   GLU  23           HA       GLU  23 -19.762   4.571   7.689
  183   1HB   GLU  23          2HB       GLU  23 -17.114   3.699   8.357
  184   2HB   GLU  23          1HB       GLU  23 -17.496   3.119   6.736
  185   1HG   GLU  23          2HG       GLU  23 -18.499   5.720   6.768
  186   2HG   GLU  23          1HG       GLU  23 -16.978   5.842   7.654
  187    HA   PRO  24           HA       PRO  24 -21.717   1.316   5.497
  188   1HB   PRO  24          2HB       PRO  24 -20.415   1.803   2.978
  189   2HB   PRO  24          1HB       PRO  24 -22.021   2.326   3.492
  190   1HG   PRO  24          2HG       PRO  24 -19.670   3.938   3.141
  191   2HG   PRO  24          1HG       PRO  24 -21.274   4.460   3.661
  192   1HD   PRO  24          2HD       PRO  24 -18.874   4.241   5.255
  193   2HD   PRO  24          1HD       PRO  24 -20.487   4.780   5.777
  194    H    GLN  25           HN       GLN  25 -21.314  -0.866   4.952
  195    HA   GLN  25           HA       GLN  25 -18.862  -2.085   5.653
  196   1HB   GLN  25          2HB       GLN  25 -21.143  -3.122   5.419
  197   2HB   GLN  25          1HB       GLN  25 -20.944  -3.054   3.669
  198   1HG   GLN  25          2HG       GLN  25 -18.879  -4.432   3.883
  199   2HG   GLN  25          1HG       GLN  25 -19.169  -4.555   5.617
  200   1HE2  GLN  25          1HE2      GLN  25 -20.156  -6.509   6.129
  201   2HE2  GLN  25          2HE2      GLN  25 -21.293  -7.315   5.162
  202    H    GLU  26           HN       GLU  26 -17.088  -2.820   4.389
  203    HA   GLU  26           HA       GLU  26 -16.976  -1.773   1.578
  204   1HB   GLU  26          2HB       GLU  26 -14.644  -1.185   2.051
  205   2HB   GLU  26          1HB       GLU  26 -15.693  -0.444   3.261
  206   1HG   GLU  26          2HG       GLU  26 -14.965  -3.094   4.125
  207   2HG   GLU  26          1HG       GLU  26 -13.506  -2.195   3.711
  208    HA   PRO  27           HA       PRO  27 -16.197  -6.393   1.807
  209   1HB   PRO  27          2HB       PRO  27 -17.705  -6.543  -0.638
  210   2HB   PRO  27          1HB       PRO  27 -18.145  -7.175   0.950
  211   1HG   PRO  27          2HG       PRO  27 -19.275  -4.921  -0.424
  212   2HG   PRO  27          1HG       PRO  27 -19.710  -5.550   1.168
  213   1HD   PRO  27          2HD       PRO  27 -18.282  -3.113   0.548
  214   2HD   PRO  27          1HD       PRO  27 -18.733  -3.739   2.152
  215    H    ARG  28           HN       ARG  28 -16.183  -4.058  -0.854
  216    HA   ARG  28           HA       ARG  28 -13.544  -5.116  -1.736
  217   1HB   ARG  28          2HB       ARG  28 -16.035  -4.799  -3.443
  218   2HB   ARG  28          1HB       ARG  28 -14.428  -5.122  -4.092
  219   1HG   ARG  28          2HG       ARG  28 -14.328  -7.190  -2.689
  220   2HG   ARG  28          1HG       ARG  28 -15.988  -6.886  -2.179
  221   1HD   ARG  28          2HD       ARG  28 -16.080  -8.448  -4.035
  222   2HD   ARG  28          1HD       ARG  28 -16.618  -6.878  -4.658
  223    HE   ARG  28           HE       ARG  28 -14.252  -6.551  -5.475
  224   1HH1  ARG  28          1HH1      ARG  28 -15.908  -9.348  -6.034
  225   2HH1  ARG  28          2HH1      ARG  28 -14.530 -10.335  -6.387
  226   1HH2  ARG  28          1HH2      ARG  28 -12.229  -7.968  -5.324
  227   2HH2  ARG  28          2HH2      ARG  28 -12.446  -9.553  -5.986
  228    H    VAL  29           HN       VAL  29 -12.241  -3.326  -1.828
  229    HA   VAL  29           HA       VAL  29 -13.458  -0.743  -2.754
  230    HB   VAL  29           HB       VAL  29 -11.369  -1.203  -0.600
  231   1HG1  VAL  29          2HG1      VAL  29 -12.426   1.168  -1.997
  232   2HG1  VAL  29          1HG1      VAL  29 -12.449   1.297  -0.238
  233   3HG1  VAL  29          3HG1      VAL  29 -10.933   0.976  -1.078
  234   1HG2  VAL  29          2HG2      VAL  29 -14.352  -0.913  -0.556
  235   2HG2  VAL  29          1HG2      VAL  29 -13.314  -1.941   0.434
  236   3HG2  VAL  29          3HG2      VAL  29 -13.416  -0.211   0.764
  237    H    GLY  30           HN       GLY  30 -12.314   0.249  -4.383
  238   1HA   GLY  30          1HA       GLY  30 -10.741   0.197  -6.186
  239   2HA   GLY  30          2HA       GLY  30  -9.832  -1.045  -5.324
  240    H    LYS  31           HN       LYS  31 -10.602   1.318  -3.124
  241    HA   LYS  31           HA       LYS  31  -8.641   3.357  -3.722
  242   1HB   LYS  31          2HB       LYS  31 -10.683   3.543  -2.264
  243   2HB   LYS  31          1HB       LYS  31  -9.874   2.519  -1.078
  244   1HG   LYS  31          2HG       LYS  31  -8.014   4.175  -0.966
  245   2HG   LYS  31          1HG       LYS  31  -8.906   5.215  -2.078
  246   1HD   LYS  31          2HD       LYS  31 -10.817   5.204  -0.437
  247   2HD   LYS  31          1HD       LYS  31  -9.774   4.340   0.693
  248   1HE   LYS  31          2HE       LYS  31  -8.162   6.211   0.655
  249   2HE   LYS  31          1HE       LYS  31  -9.189   7.077  -0.504
  250   1HZ   LYS  31          3HZ       LYS  31 -10.332   6.028   2.006
  251   2HZ   LYS  31          2HZ       LYS  31  -9.503   7.510   2.018
  252   3HZ   LYS  31          1HZ       LYS  31 -10.878   7.311   1.041
  253    H    LEU  32           HN       LEU  32  -6.573   3.650  -2.675
  254    HA   LEU  32           HA       LEU  32  -5.010   1.254  -2.329
  255   1HB   LEU  32          2HB       LEU  32  -4.452   4.120  -1.493
  256   2HB   LEU  32          1HB       LEU  32  -3.247   2.867  -1.789
  257    HG   LEU  32           HG       LEU  32  -5.154   4.060  -3.824
  258   1HD1  LEU  32          3HD1      LEU  32  -2.193   4.263  -3.296
  259   2HD1  LEU  32          2HD1      LEU  32  -2.847   4.556  -4.907
  260   3HD1  LEU  32          1HD1      LEU  32  -3.357   5.562  -3.552
  261   1HD2  LEU  32          2HD2      LEU  32  -3.798   1.495  -3.735
  262   2HD2  LEU  32          1HD2      LEU  32  -4.938   2.109  -4.933
  263   3HD2  LEU  32          3HD2      LEU  32  -3.217   2.464  -5.091
  264    H    ARG  33           HN       ARG  33  -4.230   0.309  -0.396
  265    HA   ARG  33           HA       ARG  33  -5.700   1.099   2.087
  266   1HB   ARG  33          2HB       ARG  33  -4.288  -1.463   1.270
  267   2HB   ARG  33          1HB       ARG  33  -5.229  -1.240   2.745
  268   1HG   ARG  33          2HG       ARG  33  -7.226  -0.709   1.354
  269   2HG   ARG  33          1HG       ARG  33  -6.275  -1.034  -0.095
  270   1HD   ARG  33          2HD       ARG  33  -5.851  -3.355   0.760
  271   2HD   ARG  33          1HD       ARG  33  -6.945  -3.013   2.114
  272    HE   ARG  33           HE       ARG  33  -8.770  -2.766   0.500
  273   1HH1  ARG  33          1HH1      ARG  33  -5.864  -2.797  -1.223
  274   2HH1  ARG  33          2HH1      ARG  33  -6.453  -3.778  -2.523
  275   1HH2  ARG  33          1HH2      ARG  33  -9.493  -4.446  -0.993
  276   2HH2  ARG  33          2HH2      ARG  33  -8.509  -4.713  -2.393
  277    H    ASN  34           HN       ASN  34  -4.422   2.426   3.342
  278    HA   ASN  34           HA       ASN  34  -2.066   1.589   4.634
  279   1HB   ASN  34          2HB       ASN  34  -0.445   3.054   3.199
  280   2HB   ASN  34          1HB       ASN  34  -0.899   1.465   2.586
  281   1HD2  ASN  34          1HD2      ASN  34  -0.175   2.890   0.522
  282   2HD2  ASN  34          2HD2      ASN  34  -1.460   3.636  -0.299
  283    H    PHE  35           HN       PHE  35  -0.605   4.068   4.649
  284    HA   PHE  35           HA       PHE  35  -0.663   6.204   5.649
  285   1HB   PHE  35          2HB       PHE  35  -3.479   6.048   4.525
  286   2HB   PHE  35          1HB       PHE  35  -2.721   7.521   5.124
  287    HD1  PHE  35           HD1      PHE  35  -0.412   8.154   4.079
  288    HD2  PHE  35           HD2      PHE  35  -3.197   5.421   2.285
  289    HE1  PHE  35           HE1      PHE  35   0.676   8.492   1.877
  290    HE2  PHE  35           HE2      PHE  35  -2.108   5.756   0.082
  291    HZ   PHE  35           HZ       PHE  35  -0.171   7.292  -0.122
  292    H    ALA  36           HN       ALA  36  -1.649   3.668   7.073
  293    HA   ALA  36           HA       ALA  36  -3.757   4.446   8.892
  294   1HB   ALA  36          2HB       ALA  36  -2.801   2.126   8.208
  295   2HB   ALA  36          3HB       ALA  36  -3.275   2.354   9.891
  296   3HB   ALA  36          1HB       ALA  36  -1.573   2.434   9.436
  297    HA   PRO  37           HA       PRO  37  -1.550   7.094  11.638
  298   1HB   PRO  37          2HB       PRO  37  -3.030   6.130  13.909
  299   2HB   PRO  37          1HB       PRO  37  -3.289   7.616  12.992
  300   1HG   PRO  37          2HG       PRO  37  -4.924   5.264  13.018
  301   2HG   PRO  37          1HG       PRO  37  -5.161   6.734  12.070
  302   1HD   PRO  37          2HD       PRO  37  -4.306   4.125  11.141
  303   2HD   PRO  37          1HD       PRO  37  -4.606   5.590  10.177
  304    H    ILE  38           HN       ILE  38  -1.276   6.340  14.463
  305    HA   ILE  38           HA       ILE  38   0.834   4.232  14.173
  306    HB   ILE  38           HB       ILE  38   0.497   6.328  16.336
  307   1HG1  ILE  38          2HG1      ILE  38   0.601   7.383  14.080
  308   2HG1  ILE  38          1HG1      ILE  38   2.026   7.740  15.054
  309   1HG2  ILE  38          1HG2      ILE  38   2.878   4.739  15.327
  310   2HG2  ILE  38          3HG2      ILE  38   2.941   5.971  16.588
  311   3HG2  ILE  38          2HG2      ILE  38   2.033   4.483  16.854
  312   1HD1  ILE  38          3HD1      ILE  38   2.824   5.439  13.837
  313   2HD1  ILE  38          2HD1      ILE  38   1.782   6.119  12.587
  314   3HD1  ILE  38          1HD1      ILE  38   3.154   7.047  13.193
  315    HA   PRO  39           HA       PRO  39  -1.544   1.508  16.710
  316   1HB   PRO  39          2HB       PRO  39   0.827   0.481  17.974
  317   2HB   PRO  39          1HB       PRO  39  -0.115  -0.250  16.673
  318   1HG   PRO  39          2HG       PRO  39   2.485   0.973  16.511
  319   2HG   PRO  39          1HG       PRO  39   1.557   0.213  15.215
  320   1HD   PRO  39          2HD       PRO  39   2.086   3.017  15.585
  321   2HD   PRO  39          1HD       PRO  39   1.104   2.257  14.311
  322    H    GLY  40           HN       GLY  40  -2.436   1.704  18.773
  323   1HA   GLY  40          1HA       GLY  40  -2.369   3.737  20.464
  324   2HA   GLY  40          2HA       GLY  40  -0.821   3.015  20.895
  325    H    GLU  41           HN       GLU  41  -2.615   0.426  20.038
  326    HA   GLU  41           HA       GLU  41  -3.676  -1.266  21.308
  327   1HB   GLU  41          2HB       GLU  41  -1.649  -0.102  22.813
  328   2HB   GLU  41          1HB       GLU  41  -3.038  -0.047  23.898
  329   1HG   GLU  41          2HG       GLU  41  -2.552  -2.208  24.370
  330   2HG   GLU  41          1HG       GLU  41  -3.219  -2.577  22.780
  331    HA   PRO  42           HA       PRO  42  -7.122   1.853  21.949
  332   1HB   PRO  42          2HB       PRO  42  -8.728   0.053  20.382
  333   2HB   PRO  42          1HB       PRO  42  -8.186   1.679  19.959
  334   1HG   PRO  42          2HG       PRO  42  -7.275  -0.820  18.879
  335   2HG   PRO  42          1HG       PRO  42  -6.729   0.805  18.459
  336   1HD   PRO  42          2HD       PRO  42  -5.306  -1.216  19.955
  337   2HD   PRO  42          1HD       PRO  42  -4.751   0.419  19.525
  338    H    VAL  43           HN       VAL  43  -9.616   0.795  22.282
  339    HA   VAL  43           HA       VAL  43  -9.256  -0.967  24.651
  340    HB   VAL  43           HB       VAL  43 -10.592   0.822  25.265
  341   1HG1  VAL  43          2HG1      VAL  43 -11.372   0.844  22.369
  342   2HG1  VAL  43          1HG1      VAL  43 -12.416   1.646  23.542
  343   3HG1  VAL  43          3HG1      VAL  43 -10.736   2.154  23.363
  344   1HG2  VAL  43          1HG2      VAL  43 -12.594  -1.072  23.997
  345   2HG2  VAL  43          3HG2      VAL  43 -11.940  -1.195  25.632
  346   3HG2  VAL  43          2HG2      VAL  43 -12.983   0.159  25.199
  347    H    VAL  44           HN       VAL  44  -9.811  -3.103  24.563
  348    HA   VAL  44           HA       VAL  44 -11.922  -4.058  22.739
  349    HB   VAL  44           HB       VAL  44  -9.631  -3.798  21.528
  350   1HG1  VAL  44          2HG1      VAL  44  -8.626  -5.073  23.661
  351   2HG1  VAL  44          1HG1      VAL  44  -8.998  -6.481  22.663
  352   3HG1  VAL  44          3HG1      VAL  44  -7.907  -5.233  22.057
  353   1HG2  VAL  44          1HG2      VAL  44 -11.745  -5.385  21.050
  354   2HG2  VAL  44          3HG2      VAL  44 -10.283  -5.448  20.065
  355   3HG2  VAL  44          2HG2      VAL  44 -10.532  -6.633  21.349
  356    HA   PRO  45           HA       PRO  45 -10.854  -6.281  26.854
  357   1HB   PRO  45          2HB       PRO  45 -13.564  -5.732  27.650
  358   2HB   PRO  45          1HB       PRO  45 -12.073  -5.141  28.385
  359   1HG   PRO  45          2HG       PRO  45 -13.973  -3.684  26.767
  360   2HG   PRO  45          1HG       PRO  45 -12.531  -3.071  27.579
  361   1HD   PRO  45          2HD       PRO  45 -12.911  -3.430  24.764
  362   2HD   PRO  45          1HD       PRO  45 -11.412  -2.951  25.595
  363    H    ILE  46           HN       ILE  46 -14.204  -6.203  25.557
  364    HA   ILE  46           HA       ILE  46 -13.922  -9.037  24.704
  365    HB   ILE  46           HB       ILE  46 -15.855  -7.968  26.781
  366   1HG1  ILE  46          2HG1      ILE  46 -13.740 -10.144  26.865
  367   2HG1  ILE  46          1HG1      ILE  46 -13.608  -8.552  27.612
  368   1HG2  ILE  46          3HG2      ILE  46 -15.967 -10.336  24.998
  369   2HG2  ILE  46          2HG2      ILE  46 -16.316 -10.640  26.700
  370   3HG2  ILE  46          1HG2      ILE  46 -17.276  -9.467  25.800
  371   1HD1  ILE  46          2HD1      ILE  46 -16.061 -10.030  28.323
  372   2HD1  ILE  46          1HD1      ILE  46 -14.569 -10.783  28.886
  373   3HD1  ILE  46          3HD1      ILE  46 -14.954  -9.127  29.356
  374    H    LEU  47           HN       LEU  47 -15.878  -6.080  24.851
  375    HA   LEU  47           HA       LEU  47 -17.631  -7.056  22.664
  376   1HB   LEU  47          2HB       LEU  47 -17.562  -4.567  24.398
  377   2HB   LEU  47          1HB       LEU  47 -18.801  -4.886  23.184
  378    HG   LEU  47           HG       LEU  47 -19.193  -7.114  24.394
  379   1HD1  LEU  47          3HD1      LEU  47 -17.217  -5.768  26.182
  380   2HD1  LEU  47          2HD1      LEU  47 -18.537  -6.651  26.951
  381   3HD1  LEU  47          1HD1      LEU  47 -17.442  -7.485  25.848
  382   1HD2  LEU  47          1HD2      LEU  47 -20.272  -4.588  24.749
  383   2HD2  LEU  47          3HD2      LEU  47 -20.947  -6.085  25.392
  384   3HD2  LEU  47          2HD2      LEU  47 -19.894  -5.089  26.396
  385    H    CYS  48           HN       CYS  48 -14.625  -5.692  22.775
  386    HA   CYS  48           HA       CYS  48 -13.358  -4.460  21.201
  387   1HB   CYS  48          2HB       CYS  48 -15.651  -5.706  19.765
  388   2HB   CYS  48          1HB       CYS  48 -14.756  -4.462  18.891
  389    H    SER  49           HN       SER  49 -13.170  -2.257  21.256
  390    HA   SER  49           HA       SER  49 -15.328  -0.501  21.903
  391   1HB   SER  49          2HB       SER  49 -13.645   1.220  21.551
  392   2HB   SER  49          1HB       SER  49 -12.873  -0.180  22.298
  393    HG   SER  49           HG       SER  49 -11.707  -0.424  20.585
  394    H    ASN  50           HN       ASN  50 -13.773  -1.243  18.777
  395    HA   ASN  50           HA       ASN  50 -15.446   0.653  17.304
  396   1HB   ASN  50          2HB       ASN  50 -13.340  -1.407  16.739
  397   2HB   ASN  50          1HB       ASN  50 -14.303  -0.783  15.400
  398   1HD2  ASN  50          1HD2      ASN  50 -12.438   0.390  14.523
  399   2HD2  ASN  50          2HD2      ASN  50 -11.865   1.800  15.271
  400    HA   PRO  51           HA       PRO  51 -18.785  -2.423  17.344
  401   1HB   PRO  51          2HB       PRO  51 -20.326  -0.502  15.858
  402   2HB   PRO  51          1HB       PRO  51 -20.500  -0.955  17.555
  403   1HG   PRO  51          2HG       PRO  51 -19.468   1.500  16.480
  404   2HG   PRO  51          1HG       PRO  51 -19.646   1.049  18.177
  405   1HD   PRO  51          2HD       PRO  51 -17.205   1.283  16.655
  406   2HD   PRO  51          1HD       PRO  51 -17.389   0.824  18.361
  407    H    ASN  52           HN       ASN  52 -17.140  -0.801  14.765
  408    HA   ASN  52           HA       ASN  52 -18.182  -2.848  12.838
  409   1HB   ASN  52          2HB       ASN  52 -17.490   0.075  12.412
  410   2HB   ASN  52          1HB       ASN  52 -17.974  -1.039  11.133
  411   1HD2  ASN  52          1HD2      ASN  52 -20.037  -2.470  12.468
  412   2HD2  ASN  52          2HD2      ASN  52 -21.309  -1.402  12.820
  413    H    PHE  53           HN       PHE  53 -15.725  -3.053  14.469
  414    HA   PHE  53           HA       PHE  53 -13.486  -2.393  12.674
  415   1HB   PHE  53          2HB       PHE  53 -12.164  -3.109  14.473
  416   2HB   PHE  53          1HB       PHE  53 -13.638  -2.627  15.313
  417    HD1  PHE  53           HD1      PHE  53 -15.513  -4.758  14.923
  418    HD2  PHE  53           HD2      PHE  53 -11.259  -5.011  15.466
  419    HE1  PHE  53           HE1      PHE  53 -15.762  -7.061  15.803
  420    HE2  PHE  53           HE2      PHE  53 -11.509  -7.322  16.346
  421    HZ   PHE  53           HZ       PHE  53 -13.761  -8.341  16.512
  422    HA   PRO  54           HA       PRO  54 -13.197  -6.073  10.287
  423   1HB   PRO  54          2HB       PRO  54 -10.773  -7.136  11.436
  424   2HB   PRO  54          1HB       PRO  54 -10.969  -6.276   9.908
  425   1HG   PRO  54          2HG       PRO  54  -9.815  -5.308  12.382
  426   2HG   PRO  54          1HG       PRO  54  -9.896  -4.493  10.819
  427   1HD   PRO  54          2HD       PRO  54 -11.365  -3.830  13.167
  428   2HD   PRO  54          1HD       PRO  54 -11.608  -3.160  11.537
  429    H    GLU  55           HN       GLU  55 -15.064  -6.746  11.735
  430    HA   GLU  55           HA       GLU  55 -15.090  -8.179  14.060
  431   1HB   GLU  55          2HB       GLU  55 -17.008  -7.638  12.592
  432   2HB   GLU  55          1HB       GLU  55 -16.497  -8.908  11.473
  433   1HG   GLU  55          2HG       GLU  55 -16.725 -10.576  13.313
  434   2HG   GLU  55          1HG       GLU  55 -17.328  -9.295  14.366
  435    H    GLU  56           HN       GLU  56 -13.713  -9.266  11.006
  436    HA   GLU  56           HA       GLU  56 -13.506 -12.050  11.439
  437   1HB   GLU  56          2HB       GLU  56 -11.551 -10.051  10.247
  438   2HB   GLU  56          1HB       GLU  56 -11.448 -11.796  10.016
  439   1HG   GLU  56          2HG       GLU  56 -13.749 -11.758   9.037
  440   2HG   GLU  56          1HG       GLU  56 -13.743  -9.999   9.173
  441    H    LEU  57           HN       LEU  57 -12.133  -9.415  13.143
  442    HA   LEU  57           HA       LEU  57  -9.972 -10.999  14.411
  443   1HB   LEU  57          2HB       LEU  57 -10.981  -8.160  14.819
  444   2HB   LEU  57          1HB       LEU  57  -9.498  -8.821  15.502
  445    HG   LEU  57           HG       LEU  57 -10.108  -8.588  12.539
  446   1HD1  LEU  57          3HD1      LEU  57  -9.646  -6.448  13.916
  447   2HD1  LEU  57          2HD1      LEU  57  -8.009  -7.079  14.100
  448   3HD1  LEU  57          1HD1      LEU  57  -8.643  -6.728  12.492
  449   1HD2  LEU  57          1HD2      LEU  57  -8.217 -10.165  14.016
  450   2HD2  LEU  57          3HD2      LEU  57  -8.409 -10.039  12.267
  451   3HD2  LEU  57          2HD2      LEU  57  -7.342  -8.922  13.120
  452    H    LYS  58           HN       LYS  58 -13.164 -11.107  14.721
  453    HA   LYS  58           HA       LYS  58 -14.097 -10.486  17.218
  454   1HB   LYS  58          2HB       LYS  58 -15.559 -11.650  15.827
  455   2HB   LYS  58          1HB       LYS  58 -14.367 -12.884  15.433
  456   1HG   LYS  58          2HG       LYS  58 -14.885 -14.145  17.265
  457   2HG   LYS  58          1HG       LYS  58 -15.114 -12.729  18.293
  458   1HD   LYS  58          2HD       LYS  58 -17.308 -13.444  18.127
  459   2HD   LYS  58          1HD       LYS  58 -17.238 -12.382  16.720
  460   1HE   LYS  58          2HE       LYS  58 -17.882 -14.189  15.494
  461   2HE   LYS  58          1HE       LYS  58 -16.262 -14.846  15.790
  462   1HZ   LYS  58          3HZ       LYS  58 -17.427 -15.336  18.128
  463   2HZ   LYS  58          2HZ       LYS  58 -18.787 -15.452  17.115
  464   3HZ   LYS  58          1HZ       LYS  58 -17.438 -16.450  16.848
  465    HA   PRO  59           HA       PRO  59 -11.947 -14.474  19.080
  466   1HB   PRO  59          2HB       PRO  59  -9.532 -14.752  17.533
  467   2HB   PRO  59          1HB       PRO  59 -10.833 -15.927  17.736
  468   1HG   PRO  59          2HG       PRO  59 -10.225 -14.285  15.421
  469   2HG   PRO  59          1HG       PRO  59 -11.420 -15.575  15.571
  470   1HD   PRO  59          2HD       PRO  59 -11.952 -12.800  15.352
  471   2HD   PRO  59          1HD       PRO  59 -13.126 -14.066  15.773
  472    H    LEU  60           HN       LEU  60  -9.859 -12.087  17.398
  473    HA   LEU  60           HA       LEU  60  -7.887 -11.668  19.323
  474   1HB   LEU  60          2HB       LEU  60  -8.134 -10.658  17.034
  475   2HB   LEU  60          1HB       LEU  60  -9.369  -9.582  17.688
  476    HG   LEU  60           HG       LEU  60  -7.534  -8.990  19.457
  477   1HD1  LEU  60          2HD1      LEU  60  -6.144 -10.819  17.771
  478   2HD1  LEU  60          1HD1      LEU  60  -5.435  -9.223  17.524
  479   3HD1  LEU  60          3HD1      LEU  60  -5.506  -9.914  19.144
  480   1HD2  LEU  60          2HD2      LEU  60  -8.480  -7.513  17.632
  481   2HD2  LEU  60          1HD2      LEU  60  -6.811  -7.151  18.074
  482   3HD2  LEU  60          3HD2      LEU  60  -7.156  -8.056  16.601
  483    H    CYS  61           HN       CYS  61 -11.075 -10.041  19.115
  484    HA   CYS  61           HA       CYS  61 -10.841  -8.458  21.468
  485   1HB   CYS  61          2HB       CYS  61 -12.570  -8.704  19.425
  486   2HB   CYS  61          1HB       CYS  61 -13.459  -9.625  20.637
  487    H    LYS  62           HN       LYS  62 -11.675 -11.850  21.012
  488    HA   LYS  62           HA       LYS  62 -12.768 -12.181  23.707
  489   1HB   LYS  62          2HB       LYS  62 -13.417 -13.480  21.651
  490   2HB   LYS  62          1HB       LYS  62 -11.823 -14.234  21.684
  491   1HG   LYS  62          2HG       LYS  62 -12.265 -15.166  23.896
  492   2HG   LYS  62          1HG       LYS  62 -13.811 -14.322  23.974
  493   1HD   LYS  62          2HD       LYS  62 -14.246 -16.614  23.323
  494   2HD   LYS  62          1HD       LYS  62 -14.523 -15.588  21.916
  495   1HE   LYS  62          2HE       LYS  62 -11.951 -16.102  21.451
  496   2HE   LYS  62          1HE       LYS  62 -12.302 -17.537  22.432
  497   1HZ   LYS  62          3HZ       LYS  62 -13.936 -16.603  20.125
  498   2HZ   LYS  62          2HZ       LYS  62 -12.815 -17.878  20.058
  499   3HZ   LYS  62          1HZ       LYS  62 -14.199 -18.010  21.034
  500    H    GLU  63           HN       GLU  63  -9.638 -11.752  22.583
  501    HA   GLU  63           HA       GLU  63  -8.529 -13.345  24.872
  502   1HB   GLU  63          2HB       GLU  63  -6.508 -13.570  23.347
  503   2HB   GLU  63          1HB       GLU  63  -7.955 -14.403  22.777
  504   1HG   GLU  63          2HG       GLU  63  -8.484 -12.489  21.313
  505   2HG   GLU  63          1HG       GLU  63  -7.045 -11.649  21.887
  506    HA   PRO  64           HA       PRO  64  -6.948  -9.497  26.338
  507   1HB   PRO  64          2HB       PRO  64  -4.614 -10.780  27.429
  508   2HB   PRO  64          1HB       PRO  64  -6.076 -10.271  28.279
  509   1HG   PRO  64          2HG       PRO  64  -5.233 -12.946  27.679
  510   2HG   PRO  64          1HG       PRO  64  -6.706 -12.436  28.505
  511   1HD   PRO  64          2HD       PRO  64  -6.443 -13.519  25.833
  512   2HD   PRO  64          1HD       PRO  64  -7.934 -13.044  26.681
  513    H    ASN  65           HN       ASN  65  -5.380 -11.481  24.045
  514    HA   ASN  65           HA       ASN  65  -2.932  -9.914  23.754
  515   1HB   ASN  65          2HB       ASN  65  -4.319 -11.948  21.978
  516   2HB   ASN  65          1HB       ASN  65  -2.658 -11.391  21.778
  517   1HD2  ASN  65          1HD2      ASN  65  -1.841 -11.332  24.512
  518   2HD2  ASN  65          2HD2      ASN  65  -1.846 -12.920  25.115
  519    H    ALA  66           HN       ALA  66  -6.197  -9.614  22.601
  520    HA   ALA  66           HA       ALA  66  -6.017  -8.420  20.105
  521   1HB   ALA  66          2HB       ALA  66  -8.154  -8.646  21.064
  522   2HB   ALA  66          1HB       ALA  66  -7.660  -7.875  22.570
  523   3HB   ALA  66          3HB       ALA  66  -7.902  -6.904  21.119
  524    H    GLN  67           HN       GLN  67  -5.284  -6.916  23.241
  525    HA   GLN  67           HA       GLN  67  -4.772  -4.269  22.244
  526   1HB   GLN  67          2HB       GLN  67  -3.780  -5.811  24.663
  527   2HB   GLN  67          1HB       GLN  67  -3.595  -4.070  24.456
  528   1HG   GLN  67          2HG       GLN  67  -6.039  -3.817  24.312
  529   2HG   GLN  67          1HG       GLN  67  -6.238  -5.561  24.477
  530   1HE2  GLN  67          1HE2      GLN  67  -7.428  -3.853  26.392
  531   2HE2  GLN  67          2HE2      GLN  67  -6.610  -4.015  27.870
  532    H    GLU  68           HN       GLU  68  -2.681  -7.117  22.732
  533    HA   GLU  68           HA       GLU  68  -0.259  -5.689  21.892
  534   1HB   GLU  68          2HB       GLU  68  -0.943  -8.610  22.369
  535   2HB   GLU  68          1HB       GLU  68   0.689  -8.003  22.082
  536   1HG   GLU  68          2HG       GLU  68  -1.132  -7.150  24.357
  537   2HG   GLU  68          1HG       GLU  68   0.243  -8.246  24.502
  538    H    ILE  69           HN       ILE  69  -2.430  -8.162  20.499
  539    HA   ILE  69           HA       ILE  69  -1.061  -8.462  18.000
  540    HB   ILE  69           HB       ILE  69  -3.999  -8.748  18.723
  541   1HG1  ILE  69          2HG1      ILE  69  -1.722 -10.755  18.783
  542   2HG1  ILE  69          1HG1      ILE  69  -2.523 -10.063  20.195
  543   1HG2  ILE  69          3HG2      ILE  69  -2.317  -9.784  16.425
  544   2HG2  ILE  69          2HG2      ILE  69  -3.886 -10.470  16.846
  545   3HG2  ILE  69          1HG2      ILE  69  -3.769  -8.786  16.333
  546   1HD1  ILE  69          3HD1      ILE  69  -4.244 -11.365  18.128
  547   2HD1  ILE  69          2HD1      ILE  69  -3.285 -12.414  19.171
  548   3HD1  ILE  69          1HD1      ILE  69  -4.451 -11.296  19.878
  549    H    LEU  70           HN       LEU  70  -3.727  -6.321  19.017
  550    HA   LEU  70           HA       LEU  70  -4.392  -5.127  16.562
  551   1HB   LEU  70          2HB       LEU  70  -5.581  -4.742  18.657
  552   2HB   LEU  70          1HB       LEU  70  -4.160  -3.969  19.360
  553    HG   LEU  70           HG       LEU  70  -6.034  -2.442  18.405
  554   1HD1  LEU  70          1HD1      LEU  70  -3.487  -1.967  18.935
  555   2HD1  LEU  70          3HD1      LEU  70  -3.364  -1.836  17.182
  556   3HD1  LEU  70          2HD1      LEU  70  -4.451  -0.772  18.068
  557   1HD2  LEU  70          2HD2      LEU  70  -6.290  -3.680  16.278
  558   2HD2  LEU  70          1HD2      LEU  70  -5.833  -2.002  15.989
  559   3HD2  LEU  70          3HD2      LEU  70  -4.626  -3.281  15.851
  560    H    GLN  71           HN       GLN  71  -1.921  -3.991  18.910
  561    HA   GLN  71           HA       GLN  71  -0.861  -1.791  17.626
  562   1HB   GLN  71          2HB       GLN  71  -0.166  -2.972  19.778
  563   2HB   GLN  71          1HB       GLN  71   0.788  -4.061  18.772
  564   1HG   GLN  71          2HG       GLN  71   1.994  -2.088  17.841
  565   2HG   GLN  71          1HG       GLN  71   1.092  -1.049  18.944
  566   1HE2  GLN  71          1HE2      GLN  71   2.304  -0.562  20.772
  567   2HE2  GLN  71          2HE2      GLN  71   3.404  -1.613  21.526
  568    H    ARG  72           HN       ARG  72   0.178  -5.163  17.018
  569    HA   ARG  72           HA       ARG  72   1.950  -4.624  14.871
  570   1HB   ARG  72          2HB       ARG  72   0.193  -7.023  15.483
  571   2HB   ARG  72          1HB       ARG  72   1.590  -7.046  14.405
  572   1HG   ARG  72          2HG       ARG  72   3.018  -6.282  16.306
  573   2HG   ARG  72          1HG       ARG  72   1.613  -6.385  17.368
  574   1HD   ARG  72          2HD       ARG  72   1.402  -8.818  16.752
  575   2HD   ARG  72          1HD       ARG  72   2.928  -8.673  15.859
  576    HE   ARG  72           HE       ARG  72   3.790  -7.720  18.164
  577   1HH1  ARG  72          1HH1      ARG  72   2.640 -10.740  17.376
  578   2HH1  ARG  72          2HH1      ARG  72   2.415 -11.290  19.002
  579   1HH2  ARG  72          1HH2      ARG  72   2.977  -8.173  20.415
  580   2HH2  ARG  72          2HH2      ARG  72   2.605  -9.837  20.722
  581    H    LEU  73           HN       LEU  73  -1.482  -5.701  14.690
  582    HA   LEU  73           HA       LEU  73  -1.809  -5.679  11.906
  583   1HB   LEU  73          2HB       LEU  73  -3.751  -4.711  14.035
  584   2HB   LEU  73          1HB       LEU  73  -4.184  -5.293  12.428
  585    HG   LEU  73           HG       LEU  73  -2.834  -6.907  14.612
  586   1HD1  LEU  73          1HD1      LEU  73  -5.614  -6.701  13.515
  587   2HD1  LEU  73          3HD1      LEU  73  -5.037  -8.276  14.059
  588   3HD1  LEU  73          2HD1      LEU  73  -5.084  -6.918  15.183
  589   1HD2  LEU  73          1HD2      LEU  73  -3.017  -7.248  11.704
  590   2HD2  LEU  73          3HD2      LEU  73  -1.991  -8.086  12.868
  591   3HD2  LEU  73          2HD2      LEU  73  -3.648  -8.628  12.602
  592    H    GLU  74           HN       GLU  74  -2.507  -2.930  14.103
  593    HA   GLU  74           HA       GLU  74  -3.075  -0.985  12.148
  594   1HB   GLU  74          2HB       GLU  74  -1.600  -0.649  14.780
  595   2HB   GLU  74          1HB       GLU  74  -2.551   0.583  13.950
  596   1HG   GLU  74          2HG       GLU  74  -4.464  -1.227  14.090
  597   2HG   GLU  74          1HG       GLU  74  -3.484  -1.868  15.409
  598    H    GLU  75           HN       GLU  75   0.113  -1.676  13.679
  599    HA   GLU  75           HA       GLU  75   1.669   0.202  12.282
  600   1HB   GLU  75          2HB       GLU  75   2.311  -1.278  14.201
  601   2HB   GLU  75          1HB       GLU  75   2.391  -2.636  13.079
  602   1HG   GLU  75          2HG       GLU  75   4.095  -1.392  11.751
  603   2HG   GLU  75          1HG       GLU  75   4.057  -0.103  12.953
  604    H    ILE  76           HN       ILE  76   1.134  -3.236  11.373
  605    HA   ILE  76           HA       ILE  76   2.489  -3.094   8.862
  606    HB   ILE  76           HB       ILE  76   0.172  -4.814   9.811
  607   1HG1  ILE  76          2HG1      ILE  76   3.172  -5.266   9.897
  608   2HG1  ILE  76          1HG1      ILE  76   2.164  -4.861  11.286
  609   1HG2  ILE  76          2HG2      ILE  76   1.055  -4.637   7.251
  610   2HG2  ILE  76          1HG2      ILE  76   2.189  -5.831   7.883
  611   3HG2  ILE  76          3HG2      ILE  76   0.453  -6.136   7.961
  612   1HD1  ILE  76          3HD1      ILE  76   0.766  -6.960  10.467
  613   2HD1  ILE  76          2HD1      ILE  76   2.298  -7.410   9.717
  614   3HD1  ILE  76          1HD1      ILE  76   2.207  -7.177  11.462
  615    H    ALA  77           HN       ALA  77  -0.839  -2.358   9.811
  616    HA   ALA  77           HA       ALA  77  -2.055  -2.156   7.257
  617   1HB   ALA  77          3HB       ALA  77  -2.447  -1.154  10.011
  618   2HB   ALA  77          1HB       ALA  77  -3.613  -1.891   8.911
  619   3HB   ALA  77          2HB       ALA  77  -3.222  -0.178   8.763
  620    H    GLU  78           HN       GLU  78   0.003   0.110   9.037
  621    HA   GLU  78           HA       GLU  78  -0.375   2.429   7.431
  622   1HB   GLU  78          2HB       GLU  78   0.787   2.237   9.646
  623   2HB   GLU  78          1HB       GLU  78   2.133   1.442   8.829
  624   1HG   GLU  78          2HG       GLU  78   2.390   3.455   7.376
  625   2HG   GLU  78          1HG       GLU  78   1.111   4.248   8.295
  626    H    ASP  79           HN       ASP  79   1.879  -0.315   7.071
  627    HA   ASP  79           HA       ASP  79   2.138   0.302   4.186
  628   1HB   ASP  79          2HB       ASP  79   4.705   0.179   4.563
  629   2HB   ASP  79          1HB       ASP  79   3.885   1.672   5.011
  630    HA   PRO  80           HA       PRO  80   2.444  -4.054   3.749
  631   1HB   PRO  80          2HB       PRO  80   4.660  -3.955   1.920
  632   2HB   PRO  80          1HB       PRO  80   2.947  -4.147   1.542
  633   1HG   PRO  80          2HG       PRO  80   4.607  -1.841   1.101
  634   2HG   PRO  80          1HG       PRO  80   2.898  -2.043   0.705
  635   1HD   PRO  80          2HD       PRO  80   4.044  -0.415   2.788
  636   2HD   PRO  80          1HD       PRO  80   2.321  -0.644   2.409
  637    H    GLY  81           HN       GLY  81   5.799  -2.747   3.560
  638   1HA   GLY  81          1HA       GLY  81   6.540  -4.056   6.051
  639   2HA   GLY  81          2HA       GLY  81   7.637  -3.210   4.959
  640    H    THR  82           HN       THR  82   7.638  -5.998   6.282
  641    HA   THR  82           HA       THR  82   8.776  -7.398   3.967
  642    HB   THR  82           HB       THR  82   9.402  -9.024   5.706
  643    HG1  THR  82          1HG       THR  82   7.526  -9.006   6.922
  644   1HG2  THR  82          1HG2      THR  82   9.799  -6.104   6.063
  645   2HG2  THR  82          3HG2      THR  82  10.243  -7.123   7.433
  646   3HG2  THR  82          2HG2      THR  82  10.993  -7.387   5.858
  647    H    CYS  83           HN       CYS  83   5.757  -7.360   5.701
  648    HA   CYS  83           HA       CYS  83   4.771  -9.974   5.224
  649   1HB   CYS  83          2HB       CYS  83   3.821  -7.877   6.484
  650   2HB   CYS  83          1HB       CYS  83   3.072  -7.503   4.932
  651    H    GLU  84           HN       GLU  84   4.490  -7.068   3.146
  652    HA   GLU  84           HA       GLU  84   3.109  -8.279   0.983
  653   1HB   GLU  84          2HB       GLU  84   3.501  -5.851   1.400
  654   2HB   GLU  84          1HB       GLU  84   5.192  -6.075   0.953
  655   1HG   GLU  84          2HG       GLU  84   4.430  -6.939  -1.274
  656   2HG   GLU  84          1HG       GLU  84   2.773  -6.542  -0.819
  657    H    ILE  85           HN       ILE  85   6.571  -8.265   1.780
  658    HA   ILE  85           HA       ILE  85   7.177  -9.662  -0.780
  659    HB   ILE  85           HB       ILE  85   9.459  -9.075  -0.269
  660   1HG1  ILE  85          2HG1      ILE  85   8.374  -8.517   2.500
  661   2HG1  ILE  85          1HG1      ILE  85   9.611  -9.689   2.046
  662   1HG2  ILE  85          2HG2      ILE  85   7.444  -7.208  -0.547
  663   2HG2  ILE  85          1HG2      ILE  85   8.301  -6.631   0.882
  664   3HG2  ILE  85          3HG2      ILE  85   9.170  -6.855  -0.637
  665   1HD1  ILE  85          2HD1      ILE  85  10.801  -7.497   1.088
  666   2HD1  ILE  85          1HD1      ILE  85   9.812  -6.721   2.325
  667   3HD1  ILE  85          3HD1      ILE  85  10.971  -7.969   2.779
  668    H    CYS  86           HN       CYS  86   5.982 -10.657   2.037
  669    HA   CYS  86           HA       CYS  86   6.043 -12.702   3.216
  670   1HB   CYS  86          2HB       CYS  86   7.292 -13.275   0.534
  671   2HB   CYS  86          1HB       CYS  86   7.147 -14.551   1.743
  672    H    ALA  87           HN       ALA  87   8.522 -10.730   3.119
  673    HA   ALA  87           HA       ALA  87  10.894 -12.254   3.540
  674   1HB   ALA  87          3HB       ALA  87  11.082 -10.004   5.158
  675   2HB   ALA  87          1HB       ALA  87   9.864  -9.540   3.970
  676   3HB   ALA  87          2HB       ALA  87  11.464 -10.057   3.437
  677    H    TYR  88           HN       TYR  88   8.082 -11.832   5.518
  678    HA   TYR  88           HA       TYR  88   9.404 -13.393   7.698
  679   1HB   TYR  88          2HB       TYR  88   8.089 -10.700   7.773
  680   2HB   TYR  88          1HB       TYR  88   7.921 -11.753   9.176
  681    HD1  TYR  88           HD1      TYR  88  10.233 -12.984   9.855
  682    HD2  TYR  88           HD2      TYR  88   9.905  -9.251   7.755
  683    HE1  TYR  88           HE1      TYR  88  12.524 -12.370  10.585
  684    HE2  TYR  88           HE2      TYR  88  12.194  -8.638   8.483
  685    HH   TYR  88           HH       TYR  88  13.908 -10.455  10.878
  686    H    ALA  89           HN       ALA  89   7.534 -14.024   9.339
  687    HA   ALA  89           HA       ALA  89   5.547 -15.522   7.836
  688   1HB   ALA  89          3HB       ALA  89   6.738 -15.434  10.432
  689   2HB   ALA  89          2HB       ALA  89   4.988 -15.377  10.641
  690   3HB   ALA  89          1HB       ALA  89   5.727 -16.706   9.748
  691    H    ALA  90           HN       ALA  90   5.649 -12.301   8.588
  692    HA   ALA  90           HA       ALA  90   3.127 -11.669   9.719
  693   1HB   ALA  90          3HB       ALA  90   5.321 -10.400   8.322
  694   2HB   ALA  90          1HB       ALA  90   4.220  -9.704   9.511
  695   3HB   ALA  90          2HB       ALA  90   3.785  -9.708   7.801
  696    H    CYS  91           HN       CYS  91   4.032 -12.221   6.310
  697    HA   CYS  91           HA       CYS  91   1.124 -12.101   5.593
  698   1HB   CYS  91          2HB       CYS  91   3.662 -11.217   4.399
  699   2HB   CYS  91          1HB       CYS  91   2.577 -12.011   3.258
  700    H    THR  92           HN       THR  92   0.214 -14.072   5.183
  701    HA   THR  92           HA       THR  92   2.001 -16.358   4.461
  702    HB   THR  92           HB       THR  92   0.242 -17.714   5.398
  703    HG1  THR  92          1HG       THR  92  -1.590 -16.118   6.210
  704   1HG2  THR  92          1HG2      THR  92   1.507 -15.624   6.821
  705   2HG2  THR  92          3HG2      THR  92  -0.155 -15.689   7.408
  706   3HG2  THR  92          2HG2      THR  92   0.861 -17.129   7.477
  707    H    GLY  93           HN       GLY  93   0.715 -18.021   3.009
  708   1HA   GLY  93          1HA       GLY  93  -0.956 -16.636   0.979
  709   2HA   GLY  93          2HA       GLY  93  -0.773 -18.385   1.137
  710    H    CYS  94           HN       CYS  94   2.210 -16.913   1.486
  711    HA   CYS  94           HA       CYS  94   2.846 -16.749  -1.398
  712   1HB   CYS  94          2HB       CYS  94   4.292 -16.226   1.206
  713   2HB   CYS  94          1HB       CYS  94   5.116 -16.129  -0.350

  No H/Q in entry =         713
  Start of MODEL   21
    1    H1   VAL   1          3H        VAL   1  -2.360 -10.742   0.224
    2    H2   VAL   1          2H        VAL   1  -1.008 -10.823  -0.801
    3    H3   VAL   1          1H        VAL   1  -1.369 -12.118   0.237
    4    HA   VAL   1           HA       VAL   1   0.269 -11.126   1.470
    5    HB   VAL   1           HB       VAL   1   0.582  -9.443  -0.321
    6   1HG1  VAL   1          3HG1      VAL   1  -2.076  -8.735   0.437
    7   2HG1  VAL   1          2HG1      VAL   1  -1.047  -7.332   0.726
    8   3HG1  VAL   1          1HG1      VAL   1  -1.108  -8.066  -0.876
    9   1HG2  VAL   1          1HG2      VAL   1   0.559  -8.638   2.569
   10   2HG2  VAL   1          3HG2      VAL   1   1.932  -8.882   1.488
   11   3HG2  VAL   1          2HG2      VAL   1   0.951  -7.423   1.352
   12    H    THR   2           HN       THR   2  -1.901 -12.032   2.689
   13    HA   THR   2           HA       THR   2  -3.327  -9.879   4.128
   14    HB   THR   2           HB       THR   2  -3.457 -12.899   4.389
   15    HG1  THR   2          1HG       THR   2  -5.467 -12.239   3.055
   16   1HG2  THR   2          2HG2      THR   2  -5.245 -10.621   5.255
   17   2HG2  THR   2          1HG2      THR   2  -5.837 -12.276   5.112
   18   3HG2  THR   2          3HG2      THR   2  -4.548 -11.898   6.253
   19    H    VAL   3           HN       VAL   3  -3.166  -9.551   6.364
   20    HA   VAL   3           HA       VAL   3  -0.649 -10.523   7.632
   21    HB   VAL   3           HB       VAL   3  -2.623  -8.285   8.113
   22   1HG1  VAL   3          2HG1      VAL   3  -0.364  -9.203   9.915
   23   2HG1  VAL   3          1HG1      VAL   3  -1.201  -7.660  10.074
   24   3HG1  VAL   3          3HG1      VAL   3  -2.080  -9.169  10.320
   25   1HG2  VAL   3          2HG2      VAL   3   0.235  -8.573   7.245
   26   2HG2  VAL   3          1HG2      VAL   3  -1.043  -7.571   6.556
   27   3HG2  VAL   3          3HG2      VAL   3  -0.264  -7.095   8.065
   28    H    GLN   4           HN       GLN   4  -0.863 -12.321   8.932
   29    HA   GLN   4           HA       GLN   4  -3.479 -12.706  10.352
   30   1HB   GLN   4          2HB       GLN   4  -3.153 -15.071  10.006
   31   2HB   GLN   4          1HB       GLN   4  -2.854 -14.276   8.461
   32   1HG   GLN   4          2HG       GLN   4  -0.469 -14.419   8.759
   33   2HG   GLN   4          1HG       GLN   4  -0.653 -14.946  10.432
   34   1HE2  GLN   4          1HE2      GLN   4   0.783 -16.537   8.526
   35   2HE2  GLN   4          2HE2      GLN   4  -0.096 -17.962   8.248
   36    H    ASP   5           HN       ASP   5  -3.082 -14.328  12.280
   37    HA   ASP   5           HA       ASP   5  -0.478 -13.916  13.635
   38   1HB   ASP   5          2HB       ASP   5  -1.930 -11.929  14.088
   39   2HB   ASP   5          1HB       ASP   5  -3.133 -13.012  14.789
   40    H    GLY   6           HN       GLY   6  -3.808 -14.890  14.489
   41   1HA   GLY   6          1HA       GLY   6  -4.466 -16.731  15.851
   42   2HA   GLY   6          2HA       GLY   6  -2.771 -17.212  15.966
   43    H    ASN   7           HN       ASN   7  -5.700 -18.060  14.617
   44    HA   ASN   7           HA       ASN   7  -4.327 -19.797  12.600
   45   1HB   ASN   7          2HB       ASN   7  -6.954 -20.036  14.104
   46   2HB   ASN   7          1HB       ASN   7  -6.352 -21.222  12.947
   47   1HD2  ASN   7          1HD2      ASN   7  -6.791 -21.901  15.703
   48   2HD2  ASN   7          2HD2      ASN   7  -5.286 -22.221  16.420
   49    H    PHE   8           HN       PHE   8  -5.701 -16.915  12.508
   50    HA   PHE   8           HA       PHE   8  -7.188 -17.481   9.967
   51   1HB   PHE   8          2HB       PHE   8  -7.877 -15.571  12.224
   52   2HB   PHE   8          1HB       PHE   8  -8.756 -15.675  10.698
   53    HD1  PHE   8           HD1      PHE   8  -9.871 -17.857  10.061
   54    HD2  PHE   8           HD2      PHE   8  -8.262 -17.134  13.978
   55    HE1  PHE   8           HE1      PHE   8 -11.211 -19.741  10.960
   56    HE2  PHE   8           HE2      PHE   8  -9.602 -19.019  14.876
   57    HZ   PHE   8           HZ       PHE   8 -11.076 -20.322  13.367
   58    H    SER   9           HN       SER   9  -7.167 -15.629   8.462
   59    HA   SER   9           HA       SER   9  -4.676 -14.011   8.746
   60   1HB   SER   9          2HB       SER   9  -6.492 -14.570   6.378
   61   2HB   SER   9          1HB       SER   9  -4.914 -13.785   6.307
   62    HG   SER   9           HG       SER   9  -4.006 -15.661   6.390
   63    H    PHE  10           HN       PHE  10  -4.789 -11.783   8.920
   64    HA   PHE  10           HA       PHE  10  -7.520 -10.556   8.855
   65   1HB   PHE  10          2HB       PHE  10  -5.005  -9.593  10.246
   66   2HB   PHE  10          1HB       PHE  10  -6.654  -9.034  10.524
   67    HD1  PHE  10           HD1      PHE  10  -7.780 -11.987  10.209
   68    HD2  PHE  10           HD2      PHE  10  -4.728 -10.177  12.631
   69    HE1  PHE  10           HE1      PHE  10  -8.095 -13.748  11.926
   70    HE2  PHE  10           HE2      PHE  10  -5.045 -11.939  14.348
   71    HZ   PHE  10           HZ       PHE  10  -6.729 -13.723  13.996
   72    H    SER  11           HN       SER  11  -7.862  -9.179   7.150
   73    HA   SER  11           HA       SER  11  -5.802  -8.411   5.298
   74   1HB   SER  11          2HB       SER  11  -8.536  -7.194   5.816
   75   2HB   SER  11          1HB       SER  11  -7.618  -7.099   4.314
   76    HG   SER  11           HG       SER  11  -9.241  -9.050   5.194
   77    H    LEU  12           HN       LEU  12  -5.083  -6.163   4.891
   78    HA   LEU  12           HA       LEU  12  -4.444  -4.763   7.405
   79   1HB   LEU  12          2HB       LEU  12  -3.734  -4.310   4.490
   80   2HB   LEU  12          1HB       LEU  12  -3.019  -3.435   5.843
   81    HG   LEU  12           HG       LEU  12  -2.921  -6.443   5.469
   82   1HD1  LEU  12          2HD1      LEU  12  -1.534  -4.763   3.949
   83   2HD1  LEU  12          1HD1      LEU  12  -0.520  -4.658   5.387
   84   3HD1  LEU  12          3HD1      LEU  12  -0.781  -6.217   4.605
   85   1HD2  LEU  12          1HD2      LEU  12  -2.434  -4.689   7.723
   86   2HD2  LEU  12          3HD2      LEU  12  -2.408  -6.452   7.664
   87   3HD2  LEU  12          2HD2      LEU  12  -0.955  -5.534   7.268
   88    H    GLU  13           HN       GLU  13  -6.551  -4.335   4.625
   89    HA   GLU  13           HA       GLU  13  -7.054  -1.538   4.834
   90   1HB   GLU  13          2HB       GLU  13  -7.678  -3.162   2.994
   91   2HB   GLU  13          1HB       GLU  13  -8.995  -3.722   4.026
   92   1HG   GLU  13          2HG       GLU  13  -9.905  -1.429   4.110
   93   2HG   GLU  13          1HG       GLU  13  -8.583  -0.865   3.086
   94    H    SER  14           HN       SER  14  -9.309  -4.119   5.929
   95    HA   SER  14           HA       SER  14 -11.060  -2.607   7.449
   96   1HB   SER  14          2HB       SER  14  -9.875  -5.225   8.391
   97   2HB   SER  14          1HB       SER  14 -11.526  -4.648   8.610
   98    HG   SER  14           HG       SER  14 -11.325  -6.180   6.903
   99    H    VAL  15           HN       VAL  15  -7.967  -3.980   8.619
  100    HA   VAL  15           HA       VAL  15  -8.092  -2.942  11.257
  101    HB   VAL  15           HB       VAL  15  -5.820  -3.614   9.374
  102   1HG1  VAL  15          3HG1      VAL  15  -5.309  -1.994  11.358
  103   2HG1  VAL  15          2HG1      VAL  15  -5.568  -3.416  12.369
  104   3HG1  VAL  15          1HG1      VAL  15  -4.291  -3.419  11.153
  105   1HG2  VAL  15          2HG2      VAL  15  -7.612  -5.057  11.235
  106   2HG2  VAL  15          1HG2      VAL  15  -6.732  -5.658   9.826
  107   3HG2  VAL  15          3HG2      VAL  15  -5.903  -5.481  11.375
  108    H    LYS  16           HN       LYS  16  -6.609  -1.501   8.308
  109    HA   LYS  16           HA       LYS  16  -5.674   0.893   9.551
  110   1HB   LYS  16          2HB       LYS  16  -5.097   0.137   7.261
  111   2HB   LYS  16          1HB       LYS  16  -6.766   0.403   6.755
  112   1HG   LYS  16          2HG       LYS  16  -6.512   2.815   7.430
  113   2HG   LYS  16          1HG       LYS  16  -4.803   2.501   7.727
  114   1HD   LYS  16          2HD       LYS  16  -4.484   1.847   5.391
  115   2HD   LYS  16          1HD       LYS  16  -6.208   2.047   5.077
  116   1HE   LYS  16          2HE       LYS  16  -4.960   4.426   6.292
  117   2HE   LYS  16          1HE       LYS  16  -4.322   4.021   4.687
  118   1HZ   LYS  16          1HZ       LYS  16  -6.663   3.735   3.955
  119   2HZ   LYS  16          3HZ       LYS  16  -7.179   4.332   5.456
  120   3HZ   LYS  16          2HZ       LYS  16  -6.295   5.331   4.405
  121    H    LYS  17           HN       LYS  17  -8.743   0.256   7.812
  122    HA   LYS  17           HA       LYS  17  -9.934   2.775   8.726
  123   1HB   LYS  17          2HB       LYS  17 -11.050   0.314   7.335
  124   2HB   LYS  17          1HB       LYS  17 -11.890   1.854   7.498
  125   1HG   LYS  17          2HG       LYS  17 -10.089   2.971   6.229
  126   2HG   LYS  17          1HG       LYS  17  -9.251   1.427   6.063
  127   1HD   LYS  17          2HD       LYS  17 -11.245   0.507   4.887
  128   2HD   LYS  17          1HD       LYS  17 -12.015   2.089   4.998
  129   1HE   LYS  17          2HE       LYS  17  -9.971   3.026   3.773
  130   2HE   LYS  17          1HE       LYS  17  -9.526   1.342   3.440
  131   1HZ   LYS  17          2HZ       LYS  17 -12.313   2.092   3.008
  132   2HZ   LYS  17          1HZ       LYS  17 -11.190   2.703   1.889
  133   3HZ   LYS  17          3HZ       LYS  17 -11.330   1.029   2.120
  134    H    LEU  18           HN       LEU  18  -9.111   0.211  10.472
  135    HA   LEU  18           HA       LEU  18 -11.422  -0.862  11.691
  136   1HB   LEU  18          2HB       LEU  18  -9.180  -1.739  11.972
  137   2HB   LEU  18          1HB       LEU  18  -8.630  -0.225  12.692
  138    HG   LEU  18           HG       LEU  18 -10.203  -0.580  14.583
  139   1HD1  LEU  18          3HD1      LEU  18 -11.480  -2.303  12.870
  140   2HD1  LEU  18          2HD1      LEU  18 -10.606  -3.424  13.913
  141   3HD1  LEU  18          1HD1      LEU  18 -11.735  -2.265  14.614
  142   1HD2  LEU  18          1HD2      LEU  18  -7.759  -1.784  14.128
  143   2HD2  LEU  18          3HD2      LEU  18  -8.610  -1.785  15.674
  144   3HD2  LEU  18          2HD2      LEU  18  -8.773  -3.157  14.577
  145    H    LYS  19           HN       LYS  19  -9.660   2.167  12.345
  146    HA   LYS  19           HA       LYS  19 -11.010   2.907  14.754
  147   1HB   LYS  19          2HB       LYS  19  -8.966   3.964  13.807
  148   2HB   LYS  19          1HB       LYS  19  -9.933   4.622  12.486
  149   1HG   LYS  19          2HG       LYS  19 -11.346   5.809  14.179
  150   2HG   LYS  19          1HG       LYS  19 -10.254   5.238  15.440
  151   1HD   LYS  19          2HD       LYS  19  -8.365   6.365  14.237
  152   2HD   LYS  19          1HD       LYS  19  -9.537   7.031  13.101
  153   1HE   LYS  19          2HE       LYS  19  -9.449   8.781  14.635
  154   2HE   LYS  19          1HE       LYS  19 -10.720   7.803  15.395
  155   1HZ   LYS  19          3HZ       LYS  19  -7.834   7.350  15.918
  156   2HZ   LYS  19          2HZ       LYS  19  -8.756   8.426  16.855
  157   3HZ   LYS  19          1HZ       LYS  19  -9.160   6.777  16.807
  158    H    ASP  20           HN       ASP  20 -11.823   3.389  11.333
  159    HA   ASP  20           HA       ASP  20 -14.635   3.987  12.133
  160   1HB   ASP  20          2HB       ASP  20 -13.331   6.099  11.790
  161   2HB   ASP  20          1HB       ASP  20 -12.977   5.575  10.144
  162    H    LEU  21           HN       LEU  21 -15.943   2.632  10.962
  163    HA   LEU  21           HA       LEU  21 -15.115   0.764   9.062
  164   1HB   LEU  21          2HB       LEU  21 -17.696   2.154   9.710
  165   2HB   LEU  21          1HB       LEU  21 -17.644   1.047   8.338
  166    HG   LEU  21           HG       LEU  21 -18.313  -0.064  10.486
  167   1HD1  LEU  21          1HD1      LEU  21 -15.777  -0.868   9.055
  168   2HD1  LEU  21          3HD1      LEU  21 -16.482  -1.877  10.317
  169   3HD1  LEU  21          2HD1      LEU  21 -17.401  -1.523   8.855
  170   1HD2  LEU  21          1HD2      LEU  21 -16.881   1.328  11.962
  171   2HD2  LEU  21          3HD2      LEU  21 -16.590  -0.394  12.203
  172   3HD2  LEU  21          2HD2      LEU  21 -15.450   0.570  11.265
  173    H    GLN  22           HN       GLN  22 -16.522   3.995   8.384
  174    HA   GLN  22           HA       GLN  22 -16.543   5.231   6.359
  175   1HB   GLN  22          2HB       GLN  22 -13.822   3.885   6.312
  176   2HB   GLN  22          1HB       GLN  22 -14.258   5.309   5.370
  177   1HG   GLN  22          2HG       GLN  22 -14.691   6.569   7.426
  178   2HG   GLN  22          1HG       GLN  22 -14.344   5.139   8.397
  179   1HE2  GLN  22          1HE2      GLN  22 -12.802   7.503   8.751
  180   2HE2  GLN  22          2HE2      GLN  22 -11.228   7.222   8.184
  181    H    GLU  23           HN       GLU  23 -18.065   3.048   5.907
  182    HA   GLU  23           HA       GLU  23 -18.704   1.405   4.314
  183   1HB   GLU  23          2HB       GLU  23 -17.567   3.813   2.936
  184   2HB   GLU  23          1HB       GLU  23 -18.036   2.429   1.948
  185   1HG   GLU  23          2HG       GLU  23 -20.020   3.680   2.038
  186   2HG   GLU  23          1HG       GLU  23 -20.250   2.507   3.335
  187    HA   PRO  24           HA       PRO  24 -14.388  -0.374   4.249
  188   1HB   PRO  24          2HB       PRO  24 -15.646  -2.838   5.039
  189   2HB   PRO  24          1HB       PRO  24 -14.554  -1.821   5.983
  190   1HG   PRO  24          2HG       PRO  24 -17.379  -2.182   6.344
  191   2HG   PRO  24          1HG       PRO  24 -16.289  -1.158   7.280
  192   1HD   PRO  24          2HD       PRO  24 -18.311  -0.332   5.388
  193   2HD   PRO  24          1HD       PRO  24 -17.220   0.700   6.343
  194    H    GLN  25           HN       GLN  25 -13.636  -1.377   2.397
  195    HA   GLN  25           HA       GLN  25 -15.444  -3.148   0.839
  196   1HB   GLN  25          2HB       GLN  25 -15.756  -0.737   0.147
  197   2HB   GLN  25          1HB       GLN  25 -14.059  -0.714  -0.331
  198   1HG   GLN  25          2HG       GLN  25 -14.472  -2.558  -1.912
  199   2HG   GLN  25          1HG       GLN  25 -16.166  -2.607  -1.421
  200   1HE2  GLN  25          1HE2      GLN  25 -15.644  -2.105  -4.112
  201   2HE2  GLN  25          2HE2      GLN  25 -15.961  -0.478  -4.477
  202    H    GLU  26           HN       GLU  26 -14.161  -4.154  -1.027
  203    HA   GLU  26           HA       GLU  26 -11.236  -4.306  -0.385
  204   1HB   GLU  26          2HB       GLU  26 -13.375  -6.329  -0.365
  205   2HB   GLU  26          1HB       GLU  26 -11.946  -6.821  -1.273
  206   1HG   GLU  26          2HG       GLU  26 -10.563  -6.093   0.733
  207   2HG   GLU  26          1HG       GLU  26 -12.080  -5.930   1.618
  208    HA   PRO  27           HA       PRO  27 -12.309  -3.489  -4.925
  209   1HB   PRO  27          2HB       PRO  27 -10.364  -1.374  -4.804
  210   2HB   PRO  27          1HB       PRO  27 -12.106  -1.235  -5.051
  211   1HG   PRO  27          2HG       PRO  27 -10.593  -0.527  -2.715
  212   2HG   PRO  27          1HG       PRO  27 -12.335  -0.386  -2.962
  213   1HD   PRO  27          2HD       PRO  27 -10.932  -2.265  -1.276
  214   2HD   PRO  27          1HD       PRO  27 -12.687  -2.123  -1.528
  215    H    ARG  28           HN       ARG  28 -10.833  -4.002  -6.668
  216    HA   ARG  28           HA       ARG  28  -8.326  -5.331  -5.754
  217   1HB   ARG  28          2HB       ARG  28  -8.515  -6.514  -7.874
  218   2HB   ARG  28          1HB       ARG  28 -10.095  -6.518  -7.091
  219   1HG   ARG  28          2HG       ARG  28 -10.716  -4.511  -8.456
  220   2HG   ARG  28          1HG       ARG  28  -9.178  -4.660  -9.307
  221   1HD   ARG  28          2HD       ARG  28 -10.846  -5.794 -10.651
  222   2HD   ARG  28          1HD       ARG  28  -9.874  -7.058  -9.876
  223    HE   ARG  28           HE       ARG  28 -11.877  -6.564  -8.031
  224   1HH1  ARG  28          1HH1      ARG  28 -11.402  -8.533 -10.644
  225   2HH1  ARG  28          2HH1      ARG  28 -13.076  -8.820 -10.986
  226   1HH2  ARG  28          1HH2      ARG  28 -14.216  -6.396  -8.784
  227   2HH2  ARG  28          2HH2      ARG  28 -14.668  -7.610  -9.932
  228    H    VAL  29           HN       VAL  29  -6.318  -4.586  -6.421
  229    HA   VAL  29           HA       VAL  29  -4.724  -3.105  -7.349
  230    HB   VAL  29           HB       VAL  29  -6.915  -3.228  -9.438
  231   1HG1  VAL  29          1HG1      VAL  29  -4.278  -1.774  -9.435
  232   2HG1  VAL  29          3HG1      VAL  29  -4.942  -2.408 -10.940
  233   3HG1  VAL  29          2HG1      VAL  29  -5.848  -1.215 -10.011
  234   1HG2  VAL  29          3HG2      VAL  29  -4.632  -4.869  -8.663
  235   2HG2  VAL  29          2HG2      VAL  29  -5.966  -5.253  -9.752
  236   3HG2  VAL  29          1HG2      VAL  29  -4.551  -4.393 -10.360
  237    H    GLY  30           HN       GLY  30  -4.588  -1.220  -6.153
  238   1HA   GLY  30          1HA       GLY  30  -6.639   0.584  -5.540
  239   2HA   GLY  30          2HA       GLY  30  -5.956   1.153  -7.064
  240    H    LYS  31           HN       LYS  31  -5.720   2.787  -4.869
  241    HA   LYS  31           HA       LYS  31  -2.896   3.250  -4.694
  242   1HB   LYS  31          2HB       LYS  31  -4.719   4.933  -4.462
  243   2HB   LYS  31          1HB       LYS  31  -5.177   4.196  -2.927
  244   1HG   LYS  31          2HG       LYS  31  -2.872   4.652  -2.073
  245   2HG   LYS  31          1HG       LYS  31  -2.514   5.493  -3.582
  246   1HD   LYS  31          2HD       LYS  31  -4.444   7.025  -3.124
  247   2HD   LYS  31          1HD       LYS  31  -4.653   6.234  -1.561
  248   1HE   LYS  31          2HE       LYS  31  -2.099   6.801  -1.241
  249   2HE   LYS  31          1HE       LYS  31  -2.414   8.016  -2.494
  250   1HZ   LYS  31          2HZ       LYS  31  -4.581   8.292  -0.976
  251   2HZ   LYS  31          1HZ       LYS  31  -3.466   7.826   0.217
  252   3HZ   LYS  31          3HZ       LYS  31  -3.166   9.200  -0.731
  253    H    LEU  32           HN       LEU  32  -1.468   2.904  -2.909
  254    HA   LEU  32           HA       LEU  32  -1.853   0.470  -1.410
  255   1HB   LEU  32          2HB       LEU  32   0.098   2.764  -1.012
  256   2HB   LEU  32          1HB       LEU  32   0.309   1.108  -0.442
  257    HG   LEU  32           HG       LEU  32   0.105   1.989  -3.339
  258   1HD1  LEU  32          1HD1      LEU  32   2.404   0.832  -1.730
  259   2HD1  LEU  32          3HD1      LEU  32   2.445   1.207  -3.453
  260   3HD1  LEU  32          2HD1      LEU  32   2.271   2.506  -2.273
  261   1HD2  LEU  32          3HD2      LEU  32  -0.029  -0.657  -1.977
  262   2HD2  LEU  32          2HD2      LEU  32  -0.770  -0.133  -3.489
  263   3HD2  LEU  32          1HD2      LEU  32   0.939  -0.567  -3.449
  264    H    ARG  33           HN       ARG  33  -2.051   0.289   0.933
  265    HA   ARG  33           HA       ARG  33  -3.682   2.487   2.114
  266   1HB   ARG  33          2HB       ARG  33  -3.155  -0.365   3.012
  267   2HB   ARG  33          1HB       ARG  33  -4.386   0.720   3.661
  268   1HG   ARG  33          2HG       ARG  33  -4.244  -0.193   0.771
  269   2HG   ARG  33          1HG       ARG  33  -5.310  -0.891   1.991
  270   1HD   ARG  33          2HD       ARG  33  -6.278   1.423   2.350
  271   2HD   ARG  33          1HD       ARG  33  -5.343   1.959   0.941
  272    HE   ARG  33           HE       ARG  33  -7.781   0.546   0.746
  273   1HH1  ARG  33          1HH1      ARG  33  -5.808  -1.742   0.360
  274   2HH1  ARG  33          2HH1      ARG  33  -5.628  -1.744  -1.363
  275   1HH2  ARG  33          1HH2      ARG  33  -6.998   1.415  -1.774
  276   2HH2  ARG  33          2HH2      ARG  33  -6.302   0.044  -2.571
  277    H    ASN  34           HN       ASN  34  -2.798   3.785   3.671
  278    HA   ASN  34           HA       ASN  34  -0.452   2.771   5.229
  279   1HB   ASN  34          2HB       ASN  34   0.684   4.882   4.812
  280   2HB   ASN  34          1HB       ASN  34   0.194   4.204   3.260
  281   1HD2  ASN  34          1HD2      ASN  34   0.635   7.014   3.563
  282   2HD2  ASN  34          2HD2      ASN  34  -0.854   7.814   3.403
  283    H    PHE  35           HN       PHE  35  -0.303   3.703   7.353
  284    HA   PHE  35           HA       PHE  35  -2.545   5.500   8.181
  285   1HB   PHE  35          2HB       PHE  35  -3.134   3.118   8.572
  286   2HB   PHE  35          1HB       PHE  35  -1.673   2.927   9.540
  287    HD1  PHE  35           HD1      PHE  35  -4.973   4.598   9.349
  288    HD2  PHE  35           HD2      PHE  35  -1.522   3.802  11.780
  289    HE1  PHE  35           HE1      PHE  35  -6.178   5.456  11.340
  290    HE2  PHE  35           HE2      PHE  35  -2.727   4.660  13.771
  291    HZ   PHE  35           HZ       PHE  35  -5.054   5.487  13.551
  292    H    ALA  36           HN       ALA  36  -2.072   6.636  10.214
  293    HA   ALA  36           HA       ALA  36   0.574   7.646  10.427
  294   1HB   ALA  36          3HB       ALA  36  -1.540   7.530  12.595
  295   2HB   ALA  36          2HB       ALA  36  -0.308   8.771  12.371
  296   3HB   ALA  36          1HB       ALA  36  -1.633   8.624  11.216
  297    HA   PRO  37           HA       PRO  37   2.547   4.247  12.533
  298   1HB   PRO  37          2HB       PRO  37   4.670   6.028  13.296
  299   2HB   PRO  37          1HB       PRO  37   4.671   4.830  12.000
  300   1HG   PRO  37          2HG       PRO  37   4.612   7.679  11.746
  301   2HG   PRO  37          1HG       PRO  37   4.553   6.481  10.451
  302   1HD   PRO  37          2HD       PRO  37   2.408   8.174  11.432
  303   2HD   PRO  37          1HD       PRO  37   2.376   7.035  10.065
  304    H    ILE  38           HN       ILE  38   0.554   4.964  14.112
  305    HA   ILE  38           HA       ILE  38   1.821   5.818  16.697
  306    HB   ILE  38           HB       ILE  38  -1.079   6.273  16.293
  307   1HG1  ILE  38          2HG1      ILE  38  -0.233   6.815  14.037
  308   2HG1  ILE  38          1HG1      ILE  38  -0.728   8.275  14.892
  309   1HG2  ILE  38          3HG2      ILE  38   0.551   7.025  18.197
  310   2HG2  ILE  38          2HG2      ILE  38   1.002   8.300  17.065
  311   3HG2  ILE  38          1HG2      ILE  38  -0.668   8.161  17.614
  312   1HD1  ILE  38          2HD1      ILE  38   2.022   7.721  15.514
  313   2HD1  ILE  38          1HD1      ILE  38   1.818   7.697  13.762
  314   3HD1  ILE  38          3HD1      ILE  38   1.346   9.124  14.686
  315    HA   PRO  39           HA       PRO  39  -0.177   1.543  16.865
  316   1HB   PRO  39          2HB       PRO  39   2.189   0.715  18.276
  317   2HB   PRO  39          1HB       PRO  39   1.636   0.196  16.681
  318   1HG   PRO  39          2HG       PRO  39   3.856   1.909  17.310
  319   2HG   PRO  39          1HG       PRO  39   3.307   1.385  15.717
  320   1HD   PRO  39          2HD       PRO  39   3.080   4.013  16.893
  321   2HD   PRO  39          1HD       PRO  39   2.522   3.481  15.290
  322    H    GLY  40           HN       GLY  40  -1.141   0.735  18.794
  323   1HA   GLY  40          1HA       GLY  40  -0.489   2.254  21.287
  324   2HA   GLY  40          2HA       GLY  40  -1.016   0.573  21.298
  325    H    GLU  41           HN       GLU  41  -3.078   0.799  19.355
  326    HA   GLU  41           HA       GLU  41  -5.045   2.495  20.855
  327   1HB   GLU  41          2HB       GLU  41  -5.042   1.977  17.872
  328   2HB   GLU  41          1HB       GLU  41  -5.950   3.206  18.754
  329   1HG   GLU  41          2HG       GLU  41  -3.525   3.975  19.512
  330   2HG   GLU  41          1HG       GLU  41  -3.043   3.146  18.032
  331    HA   PRO  42           HA       PRO  42  -6.293  -2.019  20.638
  332   1HB   PRO  42          2HB       PRO  42  -7.332  -1.612  23.292
  333   2HB   PRO  42          1HB       PRO  42  -5.966  -2.616  22.801
  334   1HG   PRO  42          2HG       PRO  42  -5.904  -0.115  24.219
  335   2HG   PRO  42          1HG       PRO  42  -4.540  -1.129  23.745
  336   1HD   PRO  42          2HD       PRO  42  -5.316   1.415  22.633
  337   2HD   PRO  42          1HD       PRO  42  -3.958   0.378  22.136
  338    H    VAL  43           HN       VAL  43  -8.428  -2.607  20.096
  339    HA   VAL  43           HA       VAL  43 -10.614  -0.687  20.777
  340    HB   VAL  43           HB       VAL  43 -11.326  -0.878  18.362
  341   1HG1  VAL  43          2HG1      VAL  43  -9.849   0.978  19.375
  342   2HG1  VAL  43          1HG1      VAL  43  -8.500   0.167  18.580
  343   3HG1  VAL  43          3HG1      VAL  43  -9.832   0.811  17.619
  344   1HG2  VAL  43          2HG2      VAL  43  -9.631  -3.000  18.272
  345   2HG2  VAL  43          1HG2      VAL  43 -10.141  -2.106  16.840
  346   3HG2  VAL  43          3HG2      VAL  43  -8.592  -1.741  17.603
  347    H    VAL  44           HN       VAL  44 -10.446  -3.021  22.156
  348    HA   VAL  44           HA       VAL  44 -12.610  -4.676  20.914
  349    HB   VAL  44           HB       VAL  44 -11.419  -6.682  21.655
  350   1HG1  VAL  44          1HG1      VAL  44 -10.842  -5.628  19.445
  351   2HG1  VAL  44          3HG1      VAL  44  -9.483  -4.830  20.238
  352   3HG1  VAL  44          2HG1      VAL  44  -9.535  -6.590  20.137
  353   1HG2  VAL  44          1HG2      VAL  44 -10.381  -5.408  23.648
  354   2HG2  VAL  44          3HG2      VAL  44  -9.387  -6.632  22.860
  355   3HG2  VAL  44          2HG2      VAL  44  -9.124  -4.922  22.512
  356    HA   PRO  45           HA       PRO  45 -13.085  -3.324  25.505
  357   1HB   PRO  45          2HB       PRO  45 -15.445  -1.886  24.707
  358   2HB   PRO  45          1HB       PRO  45 -13.956  -1.233  25.394
  359   1HG   PRO  45          2HG       PRO  45 -14.904  -1.026  22.683
  360   2HG   PRO  45          1HG       PRO  45 -13.438  -0.335  23.380
  361   1HD   PRO  45          2HD       PRO  45 -13.632  -2.526  21.530
  362   2HD   PRO  45          1HD       PRO  45 -12.163  -1.871  22.289
  363    H    ILE  46           HN       ILE  46 -15.985  -3.087  25.994
  364    HA   ILE  46           HA       ILE  46 -16.712  -5.823  26.262
  365    HB   ILE  46           HB       ILE  46 -17.583  -3.705  27.425
  366   1HG1  ILE  46          2HG1      ILE  46 -19.757  -5.541  26.404
  367   2HG1  ILE  46          1HG1      ILE  46 -18.550  -6.070  27.575
  368   1HG2  ILE  46          1HG2      ILE  46 -18.142  -2.695  25.091
  369   2HG2  ILE  46          3HG2      ILE  46 -19.607  -3.673  25.194
  370   3HG2  ILE  46          2HG2      ILE  46 -19.284  -2.436  26.409
  371   1HD1  ILE  46          3HD1      ILE  46 -19.320  -3.745  28.730
  372   2HD1  ILE  46          2HD1      ILE  46 -20.820  -4.184  27.914
  373   3HD1  ILE  46          1HD1      ILE  46 -20.094  -5.291  29.079
  374    H    LEU  47           HN       LEU  47 -17.138  -7.213  24.597
  375    HA   LEU  47           HA       LEU  47 -18.048  -8.049  22.583
  376   1HB   LEU  47          2HB       LEU  47 -19.750  -5.824  23.505
  377   2HB   LEU  47          1HB       LEU  47 -19.897  -6.175  21.784
  378    HG   LEU  47           HG       LEU  47 -21.500  -7.516  23.099
  379   1HD1  LEU  47          3HD1      LEU  47 -19.481  -8.544  21.306
  380   2HD1  LEU  47          2HD1      LEU  47 -19.962  -9.798  22.450
  381   3HD1  LEU  47          1HD1      LEU  47 -21.176  -9.008  21.443
  382   1HD2  LEU  47          1HD2      LEU  47 -19.289  -7.732  24.867
  383   2HD2  LEU  47          3HD2      LEU  47 -20.904  -8.408  25.078
  384   3HD2  LEU  47          2HD2      LEU  47 -19.644  -9.362  24.297
  385    H    CYS  48           HN       CYS  48 -15.640  -6.462  22.436
  386    HA   CYS  48           HA       CYS  48 -14.295  -5.472  20.768
  387   1HB   CYS  48          2HB       CYS  48 -16.598  -6.755  19.425
  388   2HB   CYS  48          1HB       CYS  48 -15.766  -5.535  18.463
  389    H    SER  49           HN       SER  49 -14.059  -3.430  19.665
  390    HA   SER  49           HA       SER  49 -15.978  -1.382  20.566
  391   1HB   SER  49          2HB       SER  49 -13.191  -1.624  19.952
  392   2HB   SER  49          1HB       SER  49 -13.873  -0.357  18.933
  393    HG   SER  49           HG       SER  49 -14.301   0.823  20.639
  394    H    ASN  50           HN       ASN  50 -14.420  -2.156  17.439
  395    HA   ASN  50           HA       ASN  50 -16.409  -0.651  15.924
  396   1HB   ASN  50          2HB       ASN  50 -13.979  -2.332  15.429
  397   2HB   ASN  50          1HB       ASN  50 -15.048  -1.988  14.070
  398   1HD2  ASN  50          1HD2      ASN  50 -15.361   0.312  13.486
  399   2HD2  ASN  50          2HD2      ASN  50 -14.223   1.478  13.957
  400    HA   PRO  51           HA       PRO  51 -19.200  -4.217  16.086
  401   1HB   PRO  51          2HB       PRO  51 -20.996  -2.675  14.451
  402   2HB   PRO  51          1HB       PRO  51 -21.133  -3.035  16.173
  403   1HG   PRO  51          2HG       PRO  51 -20.496  -0.521  14.948
  404   2HG   PRO  51          1HG       PRO  51 -20.614  -0.887  16.671
  405   1HD   PRO  51          2HD       PRO  51 -18.226  -0.366  15.124
  406   2HD   PRO  51          1HD       PRO  51 -18.354  -0.707  16.864
  407    H    ASN  52           HN       ASN  52 -17.654  -2.622  13.475
  408    HA   ASN  52           HA       ASN  52 -18.392  -4.878  11.644
  409   1HB   ASN  52          2HB       ASN  52 -18.178  -1.898  11.165
  410   2HB   ASN  52          1HB       ASN  52 -18.192  -3.066   9.843
  411   1HD2  ASN  52          1HD2      ASN  52 -20.304  -1.129  10.215
  412   2HD2  ASN  52          2HD2      ASN  52 -21.724  -1.973  10.607
  413    H    PHE  53           HN       PHE  53 -16.010  -4.590  13.391
  414    HA   PHE  53           HA       PHE  53 -13.781  -3.821  11.632
  415   1HB   PHE  53          2HB       PHE  53 -12.465  -4.200  13.546
  416   2HB   PHE  53          1HB       PHE  53 -14.021  -3.767  14.255
  417    HD1  PHE  53           HD1      PHE  53 -15.633  -6.178  13.962
  418    HD2  PHE  53           HD2      PHE  53 -11.466  -5.796  14.941
  419    HE1  PHE  53           HE1      PHE  53 -15.709  -8.357  15.139
  420    HE2  PHE  53           HE2      PHE  53 -11.542  -7.987  16.119
  421    HZ   PHE  53           HZ       PHE  53 -13.665  -9.260  16.216
  422    HA   PRO  54           HA       PRO  54 -12.856  -7.652   9.716
  423   1HB   PRO  54          2HB       PRO  54 -10.379  -8.241  11.075
  424   2HB   PRO  54          1HB       PRO  54 -10.601  -7.577   9.453
  425   1HG   PRO  54          2HG       PRO  54  -9.697  -6.212  11.828
  426   2HG   PRO  54          1HG       PRO  54  -9.864  -5.564  10.198
  427   1HD   PRO  54          2HD       PRO  54 -11.493  -4.971  12.478
  428   2HD   PRO  54          1HD       PRO  54 -11.734  -4.404  10.810
  429    H    GLU  55           HN       GLU  55 -14.692  -8.393  11.145
  430    HA   GLU  55           HA       GLU  55 -14.711  -9.526  13.619
  431   1HB   GLU  55          2HB       GLU  55 -16.564  -9.455  11.979
  432   2HB   GLU  55          1HB       GLU  55 -15.815 -10.789  11.093
  433   1HG   GLU  55          2HG       GLU  55 -15.973 -12.198  13.144
  434   2HG   GLU  55          1HG       GLU  55 -16.803 -10.873  13.961
  435    H    GLU  56           HN       GLU  56 -12.947 -10.799  10.853
  436    HA   GLU  56           HA       GLU  56 -12.446 -13.451  11.695
  437   1HB   GLU  56          2HB       GLU  56 -11.739 -12.233   9.564
  438   2HB   GLU  56          1HB       GLU  56 -10.433 -11.512  10.506
  439   1HG   GLU  56          2HG       GLU  56  -9.505 -13.458   9.458
  440   2HG   GLU  56          1HG       GLU  56  -9.759 -13.885  11.149
  441    H    LEU  57           HN       LEU  57 -11.492 -10.413  13.044
  442    HA   LEU  57           HA       LEU  57  -9.274 -11.464  14.668
  443   1HB   LEU  57          2HB       LEU  57 -10.810  -8.844  14.690
  444   2HB   LEU  57          1HB       LEU  57  -9.292  -9.140  15.532
  445    HG   LEU  57           HG       LEU  57  -9.715  -9.269  12.531
  446   1HD1  LEU  57          3HD1      LEU  57  -9.718  -6.978  13.502
  447   2HD1  LEU  57          2HD1      LEU  57  -8.157  -7.314  14.251
  448   3HD1  LEU  57          1HD1      LEU  57  -8.299  -7.267  12.494
  449   1HD2  LEU  57          2HD2      LEU  57  -7.403  -9.909  14.343
  450   2HD2  LEU  57          1HD2      LEU  57  -8.001 -10.810  12.951
  451   3HD2  LEU  57          3HD2      LEU  57  -7.104  -9.309  12.711
  452    H    LYS  58           HN       LYS  58 -12.472 -12.037  14.825
  453    HA   LYS  58           HA       LYS  58 -13.613 -11.330  17.205
  454   1HB   LYS  58          2HB       LYS  58 -13.819 -13.407  15.320
  455   2HB   LYS  58          1HB       LYS  58 -13.728 -14.213  16.886
  456   1HG   LYS  58          2HG       LYS  58 -15.444 -12.185  17.477
  457   2HG   LYS  58          1HG       LYS  58 -15.847 -12.461  15.782
  458   1HD   LYS  58          2HD       LYS  58 -16.595 -14.621  16.170
  459   2HD   LYS  58          1HD       LYS  58 -15.557 -14.838  17.579
  460   1HE   LYS  58          2HE       LYS  58 -17.512 -12.681  17.950
  461   2HE   LYS  58          1HE       LYS  58 -18.269 -14.262  17.681
  462   1HZ   LYS  58          3HZ       LYS  58 -16.537 -15.139  19.288
  463   2HZ   LYS  58          2HZ       LYS  58 -16.230 -13.521  19.706
  464   3HZ   LYS  58          1HZ       LYS  58 -17.768 -14.193  19.969
  465    HA   PRO  59           HA       PRO  59 -11.057 -14.750  19.570
  466   1HB   PRO  59          2HB       PRO  59  -8.563 -14.939  18.142
  467   2HB   PRO  59          1HB       PRO  59  -9.744 -16.214  18.450
  468   1HG   PRO  59          2HG       PRO  59  -9.195 -14.848  15.967
  469   2HG   PRO  59          1HG       PRO  59 -10.322 -16.175  16.258
  470   1HD   PRO  59          2HD       PRO  59 -10.968 -13.448  15.702
  471   2HD   PRO  59          1HD       PRO  59 -12.100 -14.749  16.129
  472    H    LEU  60           HN       LEU  60  -9.151 -12.282  17.747
  473    HA   LEU  60           HA       LEU  60  -7.377 -11.601  19.860
  474   1HB   LEU  60          2HB       LEU  60  -8.563  -9.962  17.597
  475   2HB   LEU  60          1HB       LEU  60  -7.137  -9.501  18.525
  476    HG   LEU  60           HG       LEU  60  -7.432 -11.538  16.395
  477   1HD1  LEU  60          3HD1      LEU  60  -5.385  -9.628  17.461
  478   2HD1  LEU  60          2HD1      LEU  60  -4.841 -10.984  16.472
  479   3HD1  LEU  60          1HD1      LEU  60  -5.988  -9.817  15.815
  480   1HD2  LEU  60          2HD2      LEU  60  -5.813 -12.056  18.905
  481   2HD2  LEU  60          1HD2      LEU  60  -7.086 -13.074  18.231
  482   3HD2  LEU  60          3HD2      LEU  60  -5.551 -12.902  17.380
  483    H    CYS  61           HN       CYS  61 -10.622 -10.335  19.065
  484    HA   CYS  61           HA       CYS  61 -10.653  -8.235  21.010
  485   1HB   CYS  61          2HB       CYS  61 -12.145  -8.524  19.032
  486   2HB   CYS  61          1HB       CYS  61 -12.908  -9.893  19.839
  487    H    LYS  62           HN       LYS  62 -11.284 -11.696  21.236
  488    HA   LYS  62           HA       LYS  62 -12.466 -11.433  23.936
  489   1HB   LYS  62          2HB       LYS  62 -13.273 -13.027  22.171
  490   2HB   LYS  62          1HB       LYS  62 -11.731 -13.874  22.291
  491   1HG   LYS  62          2HG       LYS  62 -12.171 -14.240  24.725
  492   2HG   LYS  62          1HG       LYS  62 -13.757 -13.497  24.518
  493   1HD   LYS  62          2HD       LYS  62 -14.304 -15.229  22.807
  494   2HD   LYS  62          1HD       LYS  62 -12.748 -15.996  23.124
  495   1HE   LYS  62          2HE       LYS  62 -15.088 -15.694  25.030
  496   2HE   LYS  62          1HE       LYS  62 -14.301 -17.191  24.494
  497   1HZ   LYS  62          3HZ       LYS  62 -12.198 -16.197  25.456
  498   2HZ   LYS  62          2HZ       LYS  62 -13.189 -15.049  26.222
  499   3HZ   LYS  62          1HZ       LYS  62 -13.359 -16.700  26.585
  500    H    GLU  63           HN       GLU  63  -9.378 -11.204  22.876
  501    HA   GLU  63           HA       GLU  63  -8.321 -12.602  25.309
  502   1HB   GLU  63          2HB       GLU  63  -6.390 -13.269  23.931
  503   2HB   GLU  63          1HB       GLU  63  -7.890 -13.854  23.209
  504   1HG   GLU  63          2HG       GLU  63  -7.908 -11.861  21.714
  505   2HG   GLU  63          1HG       GLU  63  -6.358 -11.365  22.394
  506    HA   PRO  64           HA       PRO  64  -6.570  -8.685  26.321
  507   1HB   PRO  64          2HB       PRO  64  -4.299  -9.934  27.569
  508   2HB   PRO  64          1HB       PRO  64  -5.737  -9.268  28.344
  509   1HG   PRO  64          2HG       PRO  64  -5.013 -12.028  28.059
  510   2HG   PRO  64          1HG       PRO  64  -6.461 -11.362  28.816
  511   1HD   PRO  64          2HD       PRO  64  -6.254 -12.758  26.291
  512   2HD   PRO  64          1HD       PRO  64  -7.719 -12.116  27.070
  513    H    ASN  65           HN       ASN  65  -5.096 -10.985  24.282
  514    HA   ASN  65           HA       ASN  65  -2.574  -9.581  23.834
  515   1HB   ASN  65          2HB       ASN  65  -4.081 -11.749  22.338
  516   2HB   ASN  65          1HB       ASN  65  -2.423 -11.264  21.981
  517   1HD2  ASN  65          1HD2      ASN  65  -3.015 -13.930  22.838
  518   2HD2  ASN  65          2HD2      ASN  65  -2.357 -14.158  24.386
  519    H    ALA  66           HN       ALA  66  -5.820  -9.405  22.528
  520    HA   ALA  66           HA       ALA  66  -5.417  -8.316  19.971
  521   1HB   ALA  66          1HB       ALA  66  -7.447  -8.355  22.065
  522   2HB   ALA  66          2HB       ALA  66  -7.657  -8.395  20.314
  523   3HB   ALA  66          3HB       ALA  66  -7.495  -6.849  21.148
  524    H    GLN  67           HN       GLN  67  -5.140  -6.750  23.146
  525    HA   GLN  67           HA       GLN  67  -4.877  -4.048  22.262
  526   1HB   GLN  67          2HB       GLN  67  -3.708  -5.553  24.627
  527   2HB   GLN  67          1HB       GLN  67  -3.776  -3.795  24.497
  528   1HG   GLN  67          2HG       GLN  67  -6.222  -3.875  24.358
  529   2HG   GLN  67          1HG       GLN  67  -6.187  -5.637  24.405
  530   1HE2  GLN  67          1HE2      GLN  67  -7.594  -4.214  26.413
  531   2HE2  GLN  67          2HE2      GLN  67  -6.769  -4.375  27.889
  532    H    GLU  68           HN       GLU  68  -2.431  -6.599  22.798
  533    HA   GLU  68           HA       GLU  68  -0.222  -4.880  21.922
  534   1HB   GLU  68          2HB       GLU  68  -0.068  -6.712  23.628
  535   2HB   GLU  68          1HB       GLU  68  -0.405  -7.882  22.350
  536   1HG   GLU  68          2HG       GLU  68   1.601  -7.039  21.116
  537   2HG   GLU  68          1HG       GLU  68   1.962  -5.990  22.487
  538    H    ILE  69           HN       ILE  69  -2.121  -7.581  20.584
  539    HA   ILE  69           HA       ILE  69  -0.685  -7.851  18.115
  540    HB   ILE  69           HB       ILE  69  -3.592  -8.363  18.834
  541   1HG1  ILE  69          2HG1      ILE  69  -1.214 -10.245  18.841
  542   2HG1  ILE  69          1HG1      ILE  69  -1.888  -9.492  20.286
  543   1HG2  ILE  69          1HG2      ILE  69  -1.943  -8.891  16.421
  544   2HG2  ILE  69          3HG2      ILE  69  -2.953 -10.227  16.976
  545   3HG2  ILE  69          2HG2      ILE  69  -3.688  -8.676  16.569
  546   1HD1  ILE  69          2HD1      ILE  69  -4.144 -10.501  19.529
  547   2HD1  ILE  69          1HD1      ILE  69  -3.181 -11.505  18.444
  548   3HD1  ILE  69          3HD1      ILE  69  -2.943 -11.612  20.188
  549    H    LEU  70           HN       LEU  70  -3.623  -5.995  18.963
  550    HA   LEU  70           HA       LEU  70  -4.292  -4.901  16.481
  551   1HB   LEU  70          2HB       LEU  70  -5.581  -4.568  18.523
  552   2HB   LEU  70          1HB       LEU  70  -4.257  -3.659  19.250
  553    HG   LEU  70           HG       LEU  70  -6.219  -2.324  18.186
  554   1HD1  LEU  70          2HD1      LEU  70  -3.680  -1.668  18.747
  555   2HD1  LEU  70          1HD1      LEU  70  -3.620  -1.466  16.996
  556   3HD1  LEU  70          3HD1      LEU  70  -4.777  -0.539  17.950
  557   1HD2  LEU  70          1HD2      LEU  70  -4.653  -3.142  15.718
  558   2HD2  LEU  70          3HD2      LEU  70  -6.312  -3.611  16.089
  559   3HD2  LEU  70          2HD2      LEU  70  -5.927  -1.921  15.758
  560    H    GLN  71           HN       GLN  71  -2.036  -3.445  18.870
  561    HA   GLN  71           HA       GLN  71  -1.157  -1.211  17.477
  562   1HB   GLN  71          2HB       GLN  71   0.456  -3.244  19.055
  563   2HB   GLN  71          1HB       GLN  71   0.982  -1.597  18.707
  564   1HG   GLN  71          2HG       GLN  71  -0.967  -0.708  19.920
  565   2HG   GLN  71          1HG       GLN  71  -1.524  -2.348  20.247
  566   1HE2  GLN  71          1HE2      GLN  71  -1.075  -0.887  22.507
  567   2HE2  GLN  71          2HE2      GLN  71   0.386  -1.325  23.253
  568    H    ARG  72           HN       ARG  72   0.294  -4.483  17.216
  569    HA   ARG  72           HA       ARG  72   2.123  -3.905  15.124
  570   1HB   ARG  72          2HB       ARG  72   0.586  -6.426  15.842
  571   2HB   ARG  72          1HB       ARG  72   1.990  -6.389  14.775
  572   1HG   ARG  72          2HG       ARG  72   3.311  -5.358  16.639
  573   2HG   ARG  72          1HG       ARG  72   1.914  -5.566  17.694
  574   1HD   ARG  72          2HD       ARG  72   1.980  -8.035  17.198
  575   2HD   ARG  72          1HD       ARG  72   3.489  -7.764  16.306
  576    HE   ARG  72           HE       ARG  72   3.154  -7.592  19.225
  577   1HH1  ARG  72          1HH1      ARG  72   5.521  -8.706  17.614
  578   2HH1  ARG  72          2HH1      ARG  72   6.735  -7.522  17.966
  579   1HH2  ARG  72          1HH2      ARG  72   4.482  -5.183  19.178
  580   2HH2  ARG  72          2HH2      ARG  72   6.147  -5.529  18.850
  581    H    LEU  73           HN       LEU  73  -1.142  -5.379  14.871
  582    HA   LEU  73           HA       LEU  73  -1.435  -5.577  12.120
  583   1HB   LEU  73          2HB       LEU  73  -3.402  -4.544  14.192
  584   2HB   LEU  73          1HB       LEU  73  -3.852  -5.159  12.602
  585    HG   LEU  73           HG       LEU  73  -2.484  -6.695  14.829
  586   1HD1  LEU  73          2HD1      LEU  73  -5.226  -6.653  13.605
  587   2HD1  LEU  73          1HD1      LEU  73  -4.603  -8.160  14.276
  588   3HD1  LEU  73          3HD1      LEU  73  -4.768  -6.737  15.306
  589   1HD2  LEU  73          1HD2      LEU  73  -2.991  -7.369  11.927
  590   2HD2  LEU  73          3HD2      LEU  73  -1.476  -7.479  12.822
  591   3HD2  LEU  73          2HD2      LEU  73  -2.778  -8.622  13.151
  592    H    GLU  74           HN       GLU  74  -2.307  -2.665  14.035
  593    HA   GLU  74           HA       GLU  74  -2.927  -0.916  11.938
  594   1HB   GLU  74          2HB       GLU  74  -1.412  -0.352  14.510
  595   2HB   GLU  74          1HB       GLU  74  -2.319   0.834  13.572
  596   1HG   GLU  74          2HG       GLU  74  -4.345  -0.713  13.880
  597   2HG   GLU  74          1HG       GLU  74  -3.387  -1.542  15.105
  598    H    GLU  75           HN       GLU  75   0.291  -1.313  13.486
  599    HA   GLU  75           HA       GLU  75   1.774   0.410  11.826
  600   1HB   GLU  75          2HB       GLU  75   2.494  -0.712  13.933
  601   2HB   GLU  75          1HB       GLU  75   2.594  -2.240  13.057
  602   1HG   GLU  75          2HG       GLU  75   4.238  -1.170  11.494
  603   2HG   GLU  75          1HG       GLU  75   4.208   0.269  12.513
  604    H    ILE  76           HN       ILE  76   1.412  -3.150  11.435
  605    HA   ILE  76           HA       ILE  76   2.786  -3.344   8.953
  606    HB   ILE  76           HB       ILE  76   0.448  -4.949  10.042
  607   1HG1  ILE  76          2HG1      ILE  76   2.184  -4.890  11.697
  608   2HG1  ILE  76          1HG1      ILE  76   2.349  -6.434  10.860
  609   1HG2  ILE  76          1HG2      ILE  76   2.600  -5.602   8.006
  610   2HG2  ILE  76          3HG2      ILE  76   1.487  -6.786   8.691
  611   3HG2  ILE  76          2HG2      ILE  76   0.870  -5.465   7.697
  612   1HD1  ILE  76          3HD1      ILE  76   3.990  -5.144   9.298
  613   2HD1  ILE  76          2HD1      ILE  76   4.047  -3.959  10.604
  614   3HD1  ILE  76          1HD1      ILE  76   4.556  -5.621  10.899
  615    H    ALA  77           HN       ALA  77  -0.610  -2.616   9.685
  616    HA   ALA  77           HA       ALA  77  -1.691  -2.736   7.062
  617   1HB   ALA  77          1HB       ALA  77  -2.688  -2.294   9.473
  618   2HB   ALA  77          2HB       ALA  77  -3.503  -1.634   8.055
  619   3HB   ALA  77          3HB       ALA  77  -2.462  -0.601   9.035
  620    H    GLU  78           HN       GLU  78   0.215  -0.241   8.684
  621    HA   GLU  78           HA       GLU  78  -0.177   1.916   6.870
  622   1HB   GLU  78          2HB       GLU  78   2.183   1.047   8.567
  623   2HB   GLU  78          1HB       GLU  78   2.061   2.627   7.796
  624   1HG   GLU  78          2HG       GLU  78   0.002   3.100   9.033
  625   2HG   GLU  78          1HG       GLU  78   0.042   1.494   9.757
  626    H    ASP  79           HN       ASP  79   2.197  -0.757   6.812
  627    HA   ASP  79           HA       ASP  79   2.553  -0.302   3.893
  628   1HB   ASP  79          2HB       ASP  79   5.133  -0.761   5.000
  629   2HB   ASP  79          1HB       ASP  79   4.549   0.705   4.217
  630    HA   PRO  80           HA       PRO  80   2.703  -4.672   3.621
  631   1HB   PRO  80          2HB       PRO  80   5.012  -4.730   1.907
  632   2HB   PRO  80          1HB       PRO  80   3.313  -4.869   1.450
  633   1HG   PRO  80          2HG       PRO  80   5.090  -2.643   1.024
  634   2HG   PRO  80          1HG       PRO  80   3.403  -2.801   0.529
  635   1HD   PRO  80          2HD       PRO  80   4.473  -1.126   2.610
  636   2HD   PRO  80          1HD       PRO  80   2.765  -1.331   2.152
  637    H    GLY  81           HN       GLY  81   6.087  -3.444   3.607
  638   1HA   GLY  81          1HA       GLY  81   6.668  -4.739   6.149
  639   2HA   GLY  81          2HA       GLY  81   7.838  -3.915   5.118
  640    H    THR  82           HN       THR  82   7.763  -6.678   6.469
  641    HA   THR  82           HA       THR  82   9.060  -8.115   4.280
  642    HB   THR  82           HB       THR  82   9.418  -9.786   6.069
  643    HG1  THR  82          1HG       THR  82   8.473  -9.373   8.100
  644   1HG2  THR  82          3HG2      THR  82  10.615  -7.449   5.929
  645   2HG2  THR  82          2HG2      THR  82   9.724  -7.122   7.415
  646   3HG2  THR  82          1HG2      THR  82  10.857  -8.472   7.346
  647    H    CYS  83           HN       CYS  83   5.874  -7.993   5.664
  648    HA   CYS  83           HA       CYS  83   4.841 -10.557   5.094
  649   1HB   CYS  83          2HB       CYS  83   3.709  -8.692   6.298
  650   2HB   CYS  83          1HB       CYS  83   3.524  -7.839   4.765
  651    H    GLU  84           HN       GLU  84   4.769  -7.676   2.956
  652    HA   GLU  84           HA       GLU  84   3.664  -8.899   0.670
  653   1HB   GLU  84          2HB       GLU  84   4.051  -6.475   1.074
  654   2HB   GLU  84          1HB       GLU  84   5.780  -6.733   0.847
  655   1HG   GLU  84          2HG       GLU  84   5.298  -7.620  -1.443
  656   2HG   GLU  84          1HG       GLU  84   3.599  -7.214  -1.207
  657    H    ILE  85           HN       ILE  85   7.024  -8.949   1.832
  658    HA   ILE  85           HA       ILE  85   7.875 -10.366  -0.642
  659    HB   ILE  85           HB       ILE  85  10.115  -9.932   0.221
  660   1HG1  ILE  85          2HG1      ILE  85   8.628  -9.150   2.737
  661   2HG1  ILE  85          1HG1      ILE  85   9.835 -10.422   2.559
  662   1HG2  ILE  85          1HG2      ILE  85   8.276  -7.987  -0.471
  663   2HG2  ILE  85          3HG2      ILE  85   8.934  -7.373   1.045
  664   3HG2  ILE  85          2HG2      ILE  85  10.013  -7.728  -0.305
  665   1HD1  ILE  85          1HD1      ILE  85  11.287  -8.330   1.682
  666   2HD1  ILE  85          3HD1      ILE  85  10.192  -7.472   2.766
  667   3HD1  ILE  85          2HD1      ILE  85  11.209  -8.771   3.388
  668    H    CYS  86           HN       CYS  86   6.290 -11.348   1.972
  669    HA   CYS  86           HA       CYS  86   6.111 -13.412   3.106
  670   1HB   CYS  86          2HB       CYS  86   7.102 -13.805   0.435
  671   2HB   CYS  86          1HB       CYS  86   7.849 -14.995   1.501
  672    H    ALA  87           HN       ALA  87   8.600 -11.529   3.447
  673    HA   ALA  87           HA       ALA  87  10.801 -13.252   4.199
  674   1HB   ALA  87          3HB       ALA  87  11.202 -10.938   5.555
  675   2HB   ALA  87          1HB       ALA  87   9.989 -10.398   4.394
  676   3HB   ALA  87          2HB       ALA  87  11.506 -11.095   3.824
  677    H    TYR  88           HN       TYR  88   7.780 -12.701   5.619
  678    HA   TYR  88           HA       TYR  88   8.710 -13.922   8.170
  679   1HB   TYR  88          2HB       TYR  88   8.734 -11.398   8.299
  680   2HB   TYR  88          1HB       TYR  88   6.996 -11.426   8.006
  681    HD1  TYR  88           HD1      TYR  88   9.569 -12.995  10.243
  682    HD2  TYR  88           HD2      TYR  88   5.552 -11.529   9.837
  683    HE1  TYR  88           HE1      TYR  88   9.171 -13.418  12.654
  684    HE2  TYR  88           HE2      TYR  88   5.153 -11.953  12.248
  685    HH   TYR  88           HH       TYR  88   6.706 -13.878  14.056
  686    H    ALA  89           HN       ALA  89   6.770 -14.608   9.499
  687    HA   ALA  89           HA       ALA  89   4.837 -16.001   7.827
  688   1HB   ALA  89          1HB       ALA  89   5.961 -16.510  10.175
  689   2HB   ALA  89          3HB       ALA  89   4.555 -15.642  10.791
  690   3HB   ALA  89          2HB       ALA  89   4.337 -17.097   9.820
  691    H    ALA  90           HN       ALA  90   4.952 -12.808   8.585
  692    HA   ALA  90           HA       ALA  90   2.340 -12.208   9.604
  693   1HB   ALA  90          2HB       ALA  90   4.492 -10.782   8.061
  694   2HB   ALA  90          1HB       ALA  90   2.950  -9.978   8.355
  695   3HB   ALA  90          3HB       ALA  90   3.945 -10.501   9.714
  696    H    CYS  91           HN       CYS  91   3.569 -12.701   6.307
  697    HA   CYS  91           HA       CYS  91   0.898 -12.079   5.161
  698   1HB   CYS  91          2HB       CYS  91   3.654 -11.964   4.381
  699   2HB   CYS  91          1HB       CYS  91   2.772 -12.949   3.218
  700    H    THR  92           HN       THR  92  -0.520 -13.734   4.937
  701    HA   THR  92           HA       THR  92   0.532 -16.524   4.794
  702    HB   THR  92           HB       THR  92  -2.356 -15.888   5.131
  703    HG1  THR  92          1HG       THR  92  -0.326 -14.827   6.670
  704   1HG2  THR  92          2HG2      THR  92  -0.334 -17.738   6.405
  705   2HG2  THR  92          1HG2      THR  92  -1.995 -17.594   6.981
  706   3HG2  THR  92          3HG2      THR  92  -1.677 -18.172   5.345
  707    H    GLY  93           HN       GLY  93  -0.622 -14.096   2.757
  708   1HA   GLY  93          1HA       GLY  93  -1.750 -14.152   0.664
  709   2HA   GLY  93          2HA       GLY  93  -2.120 -15.855   0.940
  710    H    CYS  94           HN       CYS  94   1.084 -14.389   1.159
  711    HA   CYS  94           HA       CYS  94   2.997 -14.658  -0.229
  712   1HB   CYS  94          2HB       CYS  94   1.826 -17.141   0.679
  713   2HB   CYS  94          1HB       CYS  94   2.645 -17.392  -0.863

  No H/Q in entry =         713
  Start of MODEL   22
    1    H1   VAL   1          3H        VAL   1  -1.825 -10.336  -0.364
    2    H2   VAL   1          2H        VAL   1  -0.641 -11.163  -1.259
    3    H3   VAL   1          1H        VAL   1  -2.132 -11.906  -0.928
    4    HA   VAL   1           HA       VAL   1  -0.918 -12.906   0.705
    5    HB   VAL   1           HB       VAL   1   1.077 -11.666   1.655
    6   1HG1  VAL   1          2HG1      VAL   1   0.898 -13.108  -0.586
    7   2HG1  VAL   1          1HG1      VAL   1   1.326 -11.564  -1.320
    8   3HG1  VAL   1          3HG1      VAL   1   2.398 -12.301  -0.131
    9   1HG2  VAL   1          3HG2      VAL   1   0.038  -9.613  -0.302
   10   2HG2  VAL   1          2HG2      VAL   1   0.489  -9.386   1.388
   11   3HG2  VAL   1          1HG2      VAL   1   1.738  -9.655   0.171
   12    H    THR   2           HN       THR   2  -2.264 -13.016   2.464
   13    HA   THR   2           HA       THR   2  -3.353 -10.554   3.676
   14    HB   THR   2           HB       THR   2  -3.725 -13.486   4.370
   15    HG1  THR   2          1HG       THR   2  -5.521 -13.337   3.016
   16   1HG2  THR   2          3HG2      THR   2  -5.190 -10.944   5.078
   17   2HG2  THR   2          2HG2      THR   2  -5.978 -12.520   5.165
   18   3HG2  THR   2          1HG2      THR   2  -4.563 -12.185   6.163
   19    H    VAL   3           HN       VAL   3  -3.022  -9.997   5.901
   20    HA   VAL   3           HA       VAL   3  -0.429 -10.934   7.009
   21    HB   VAL   3           HB       VAL   3  -2.354  -8.703   7.743
   22   1HG1  VAL   3          3HG1      VAL   3   0.261  -9.628   8.896
   23   2HG1  VAL   3          2HG1      VAL   3  -0.130  -7.908   8.910
   24   3HG1  VAL   3          1HG1      VAL   3  -1.184  -9.059   9.732
   25   1HG2  VAL   3          2HG2      VAL   3  -0.170  -9.000   5.803
   26   2HG2  VAL   3          1HG2      VAL   3  -1.432  -7.771   5.893
   27   3HG2  VAL   3          3HG2      VAL   3   0.029  -7.608   6.867
   28    H    GLN   4           HN       GLN   4  -0.465 -12.541   8.531
   29    HA   GLN   4           HA       GLN   4  -3.007 -12.993  10.046
   30   1HB   GLN   4          2HB       GLN   4  -0.654 -14.849   9.594
   31   2HB   GLN   4          1HB       GLN   4  -2.260 -15.290  10.172
   32   1HG   GLN   4          2HG       GLN   4  -3.123 -14.306   7.943
   33   2HG   GLN   4          1HG       GLN   4  -1.446 -14.386   7.408
   34   1HE2  GLN   4          1HE2      GLN   4  -1.183 -16.875   9.290
   35   2HE2  GLN   4          2HE2      GLN   4  -1.841 -18.133   8.361
   36    H    ASP   5           HN       ASP   5  -2.968 -12.940  12.273
   37    HA   ASP   5           HA       ASP   5  -0.352 -12.269  13.579
   38   1HB   ASP   5          2HB       ASP   5  -3.244 -11.633  14.237
   39   2HB   ASP   5          1HB       ASP   5  -1.894 -11.230  15.297
   40    H    GLY   6           HN       GLY   6  -2.072 -14.917  13.028
   41   1HA   GLY   6          1HA       GLY   6  -2.721 -15.988  15.601
   42   2HA   GLY   6          2HA       GLY   6  -1.069 -16.446  15.186
   43    H    ASN   7           HN       ASN   7  -3.963 -17.773  15.206
   44    HA   ASN   7           HA       ASN   7  -3.366 -19.550  12.922
   45   1HB   ASN   7          2HB       ASN   7  -5.467 -19.543  15.112
   46   2HB   ASN   7          1HB       ASN   7  -5.237 -20.855  13.956
   47   1HD2  ASN   7          1HD2      ASN   7  -4.891 -21.298  16.759
   48   2HD2  ASN   7          2HD2      ASN   7  -3.249 -21.603  17.060
   49    H    PHE   8           HN       PHE   8  -4.795 -16.643  13.047
   50    HA   PHE   8           HA       PHE   8  -6.962 -17.394  11.108
   51   1HB   PHE   8          2HB       PHE   8  -6.771 -15.102  13.091
   52   2HB   PHE   8          1HB       PHE   8  -8.123 -15.382  11.993
   53    HD1  PHE   8           HD1      PHE   8  -9.611 -17.325  12.289
   54    HD2  PHE   8           HD2      PHE   8  -6.413 -16.505  15.038
   55    HE1  PHE   8           HE1      PHE   8 -10.609 -18.903  13.922
   56    HE2  PHE   8           HE2      PHE   8  -7.412 -18.083  16.671
   57    HZ   PHE   8           HZ       PHE   8  -9.510 -19.282  16.113
   58    H    SER   9           HN       SER   9  -7.310 -15.791   9.376
   59    HA   SER   9           HA       SER   9  -4.783 -14.362   8.667
   60   1HB   SER   9          2HB       SER   9  -5.738 -16.170   7.199
   61   2HB   SER   9          1HB       SER   9  -7.161 -15.157   6.959
   62    HG   SER   9           HG       SER   9  -4.485 -14.623   6.222
   63    H    PHE  10           HN       PHE  10  -4.818 -12.162   8.866
   64    HA   PHE  10           HA       PHE  10  -7.476 -10.774   8.751
   65   1HB   PHE  10          2HB       PHE  10  -4.934 -10.061  10.251
   66   2HB   PHE  10          1HB       PHE  10  -6.465  -9.189  10.344
   67    HD1  PHE  10           HD1      PHE  10  -8.149 -11.838  10.129
   68    HD2  PHE  10           HD2      PHE  10  -4.912 -10.569  12.652
   69    HE1  PHE  10           HE1      PHE  10  -8.921 -13.391  11.902
   70    HE2  PHE  10           HE2      PHE  10  -5.684 -12.122  14.424
   71    HZ   PHE  10           HZ       PHE  10  -7.688 -13.532  14.049
   72    H    SER  11           HN       SER  11  -7.667  -9.253   7.144
   73    HA   SER  11           HA       SER  11  -5.439  -8.735   5.326
   74   1HB   SER  11          2HB       SER  11  -8.245  -7.597   5.571
   75   2HB   SER  11          1HB       SER  11  -7.184  -7.380   4.179
   76    HG   SER  11           HG       SER  11  -7.586  -9.340   3.553
   77    H    LEU  12           HN       LEU  12  -5.045  -6.315   4.716
   78    HA   LEU  12           HA       LEU  12  -4.466  -4.845   7.235
   79   1HB   LEU  12          2HB       LEU  12  -3.586  -4.442   4.358
   80   2HB   LEU  12          1HB       LEU  12  -2.938  -3.585   5.755
   81    HG   LEU  12           HG       LEU  12  -2.780  -6.567   5.221
   82   1HD1  LEU  12          3HD1      LEU  12  -0.962  -4.255   4.890
   83   2HD1  LEU  12          2HD1      LEU  12  -0.244  -5.664   5.672
   84   3HD1  LEU  12          1HD1      LEU  12  -0.960  -5.816   4.067
   85   1HD2  LEU  12          2HD2      LEU  12  -2.635  -5.022   7.697
   86   2HD2  LEU  12          1HD2      LEU  12  -2.709  -6.771   7.472
   87   3HD2  LEU  12          3HD2      LEU  12  -1.157  -5.937   7.396
   88    H    GLU  13           HN       GLU  13  -6.863  -4.882   4.860
   89    HA   GLU  13           HA       GLU  13  -7.295  -2.025   4.540
   90   1HB   GLU  13          2HB       GLU  13  -9.107  -4.432   4.163
   91   2HB   GLU  13          1HB       GLU  13  -9.424  -2.814   3.538
   92   1HG   GLU  13          2HG       GLU  13  -7.325  -2.925   2.226
   93   2HG   GLU  13          1HG       GLU  13  -7.046  -4.560   2.828
   94    H    SER  14           HN       SER  14  -9.575  -4.349   5.995
   95    HA   SER  14           HA       SER  14 -11.184  -2.688   7.463
   96   1HB   SER  14          2HB       SER  14  -9.976  -5.211   8.614
   97   2HB   SER  14          1HB       SER  14 -11.613  -4.596   8.842
   98    HG   SER  14           HG       SER  14 -10.488  -5.942   6.686
   99    H    VAL  15           HN       VAL  15  -8.081  -4.005   8.720
  100    HA   VAL  15           HA       VAL  15  -8.162  -2.526  11.170
  101    HB   VAL  15           HB       VAL  15  -5.738  -3.125  11.215
  102   1HG1  VAL  15          1HG1      VAL  15  -7.995  -4.770  11.236
  103   2HG1  VAL  15          3HG1      VAL  15  -6.849  -5.624  10.199
  104   3HG1  VAL  15          2HG1      VAL  15  -6.395  -5.191  11.847
  105   1HG2  VAL  15          1HG2      VAL  15  -6.327  -4.076   8.398
  106   2HG2  VAL  15          3HG2      VAL  15  -5.183  -2.820   8.867
  107   3HG2  VAL  15          2HG2      VAL  15  -4.880  -4.499   9.312
  108    H    LYS  16           HN       LYS  16  -6.558  -1.824   8.039
  109    HA   LYS  16           HA       LYS  16  -5.323   0.626   8.747
  110   1HB   LYS  16          2HB       LYS  16  -4.953  -0.511   6.619
  111   2HB   LYS  16          1HB       LYS  16  -6.652  -0.323   6.184
  112   1HG   LYS  16          2HG       LYS  16  -6.328   2.174   6.308
  113   2HG   LYS  16          1HG       LYS  16  -4.602   1.885   6.526
  114   1HD   LYS  16          2HD       LYS  16  -4.455   0.784   4.369
  115   2HD   LYS  16          1HD       LYS  16  -6.208   0.846   4.172
  116   1HE   LYS  16          2HE       LYS  16  -5.352   3.511   4.699
  117   2HE   LYS  16          1HE       LYS  16  -4.270   2.850   3.458
  118   1HZ   LYS  16          3HZ       LYS  16  -7.204   2.434   3.375
  119   2HZ   LYS  16          2HZ       LYS  16  -6.478   3.794   2.661
  120   3HZ   LYS  16          1HZ       LYS  16  -6.081   2.234   2.120
  121    H    LYS  17           HN       LYS  17  -8.532   0.173   7.201
  122    HA   LYS  17           HA       LYS  17  -9.339   2.929   7.798
  123   1HB   LYS  17          2HB       LYS  17 -10.829   0.489   6.762
  124   2HB   LYS  17          1HB       LYS  17 -11.442   2.142   6.725
  125   1HG   LYS  17          2HG       LYS  17  -9.488   2.802   5.328
  126   2HG   LYS  17          1HG       LYS  17  -8.959   1.120   5.313
  127   1HD   LYS  17          2HD       LYS  17 -11.137   0.478   4.286
  128   2HD   LYS  17          1HD       LYS  17 -11.587   2.182   4.229
  129   1HE   LYS  17          2HE       LYS  17  -9.089   1.067   2.906
  130   2HE   LYS  17          1HE       LYS  17 -10.623   1.333   2.057
  131   1HZ   LYS  17          1HZ       LYS  17 -10.517   3.646   3.115
  132   2HZ   LYS  17          3HZ       LYS  17  -8.875   3.319   3.387
  133   3HZ   LYS  17          2HZ       LYS  17  -9.484   3.342   1.801
  134    H    LEU  18           HN       LEU  18  -8.883   0.424   9.800
  135    HA   LEU  18           HA       LEU  18 -11.254  -0.097  11.218
  136   1HB   LEU  18          2HB       LEU  18  -9.037  -1.179  11.461
  137   2HB   LEU  18          1HB       LEU  18  -8.409   0.288  12.207
  138    HG   LEU  18           HG       LEU  18  -9.832   0.038  14.112
  139   1HD1  LEU  18          1HD1      LEU  18 -11.290  -1.846  12.297
  140   2HD1  LEU  18          3HD1      LEU  18 -11.366  -2.129  14.035
  141   3HD1  LEU  18          2HD1      LEU  18 -11.935  -0.600  13.366
  142   1HD2  LEU  18          3HD2      LEU  18  -7.829  -1.614  13.729
  143   2HD2  LEU  18          2HD2      LEU  18  -8.956  -1.931  15.048
  144   3HD2  LEU  18          1HD2      LEU  18  -9.097  -2.828  13.537
  145    H    LYS  19           HN       LYS  19  -9.073   2.709  11.396
  146    HA   LYS  19           HA       LYS  19 -10.119   3.903  13.769
  147   1HB   LYS  19          2HB       LYS  19  -8.047   4.567  12.590
  148   2HB   LYS  19          1HB       LYS  19  -9.008   5.164  11.238
  149   1HG   LYS  19          2HG       LYS  19  -8.525   7.087  12.564
  150   2HG   LYS  19          1HG       LYS  19 -10.194   6.666  12.946
  151   1HD   LYS  19          2HD       LYS  19  -9.443   5.471  14.963
  152   2HD   LYS  19          1HD       LYS  19  -7.766   5.853  14.575
  153   1HE   LYS  19          2HE       LYS  19  -9.804   8.065  14.846
  154   2HE   LYS  19          1HE       LYS  19  -8.992   7.400  16.276
  155   1HZ   LYS  19          2HZ       LYS  19  -6.916   7.620  14.692
  156   2HZ   LYS  19          1HZ       LYS  19  -7.858   8.848  13.992
  157   3HZ   LYS  19          3HZ       LYS  19  -7.441   8.933  15.633
  158    H    ASP  20           HN       ASP  20 -11.135   4.192  10.361
  159    HA   ASP  20           HA       ASP  20 -13.437   5.894  11.163
  160   1HB   ASP  20          2HB       ASP  20 -11.969   6.417   9.202
  161   2HB   ASP  20          1HB       ASP  20 -12.487   4.907   8.452
  162    H    LEU  21           HN       LEU  21 -14.900   4.434  12.156
  163    HA   LEU  21           HA       LEU  21 -15.477   1.794  11.136
  164   1HB   LEU  21          2HB       LEU  21 -15.812   2.839  13.473
  165   2HB   LEU  21          1HB       LEU  21 -17.289   3.541  12.811
  166    HG   LEU  21           HG       LEU  21 -17.840   1.128  12.038
  167   1HD1  LEU  21          1HD1      LEU  21 -15.319   0.755  13.413
  168   2HD1  LEU  21          3HD1      LEU  21 -16.589  -0.194  14.188
  169   3HD1  LEU  21          2HD1      LEU  21 -16.250  -0.408  12.470
  170   1HD2  LEU  21          2HD2      LEU  21 -17.871   2.142  14.875
  171   2HD2  LEU  21          1HD2      LEU  21 -19.208   2.014  13.733
  172   3HD2  LEU  21          3HD2      LEU  21 -18.548   0.562  14.483
  173    H    GLN  22           HN       GLN  22 -16.958   4.990  10.659
  174    HA   GLN  22           HA       GLN  22 -19.351   4.251   9.357
  175   1HB   GLN  22          2HB       GLN  22 -17.443   6.562   8.877
  176   2HB   GLN  22          1HB       GLN  22 -19.115   6.513   8.320
  177   1HG   GLN  22          2HG       GLN  22 -19.906   6.319  10.631
  178   2HG   GLN  22          1HG       GLN  22 -18.243   6.282  11.216
  179   1HE2  GLN  22          1HE2      GLN  22 -19.922   8.321  12.161
  180   2HE2  GLN  22          2HE2      GLN  22 -19.458   9.806  11.483
  181    H    GLU  23           HN       GLU  23 -19.365   5.180   6.791
  182    HA   GLU  23           HA       GLU  23 -18.894   4.534   4.564
  183   1HB   GLU  23          2HB       GLU  23 -16.192   3.986   5.840
  184   2HB   GLU  23          1HB       GLU  23 -16.488   4.210   4.118
  185   1HG   GLU  23          2HG       GLU  23 -17.181   6.294   6.203
  186   2HG   GLU  23          1HG       GLU  23 -15.649   6.274   5.328
  187    HA   PRO  24           HA       PRO  24 -19.540   0.214   4.191
  188   1HB   PRO  24          2HB       PRO  24 -17.690  -0.180   2.020
  189   2HB   PRO  24          1HB       PRO  24 -19.445  -0.013   1.939
  190   1HG   PRO  24          2HG       PRO  24 -17.438   1.897   1.145
  191   2HG   PRO  24          1HG       PRO  24 -19.193   2.043   1.018
  192   1HD   PRO  24          2HD       PRO  24 -17.449   3.446   2.817
  193   2HD   PRO  24          1HD       PRO  24 -19.224   3.530   2.749
  194    H    GLN  25           HN       GLN  25 -18.481  -1.865   4.592
  195    HA   GLN  25           HA       GLN  25 -16.210  -1.724   6.352
  196   1HB   GLN  25          2HB       GLN  25 -17.599  -4.008   4.919
  197   2HB   GLN  25          1HB       GLN  25 -16.434  -4.222   6.225
  198   1HG   GLN  25          2HG       GLN  25 -17.869  -2.942   7.746
  199   2HG   GLN  25          1HG       GLN  25 -19.016  -2.643   6.441
  200   1HE2  GLN  25          1HE2      GLN  25 -19.815  -4.026   8.821
  201   2HE2  GLN  25          2HE2      GLN  25 -20.159  -5.638   8.414
  202    H    GLU  26           HN       GLU  26 -16.560  -2.434   2.913
  203    HA   GLU  26           HA       GLU  26 -13.572  -2.610   2.726
  204   1HB   GLU  26          2HB       GLU  26 -15.759  -4.397   1.763
  205   2HB   GLU  26          1HB       GLU  26 -14.366  -4.193   0.702
  206   1HG   GLU  26          2HG       GLU  26 -13.412  -5.822   1.967
  207   2HG   GLU  26          1HG       GLU  26 -13.172  -4.544   3.158
  208    HA   PRO  27           HA       PRO  27 -15.493   0.689  -0.024
  209   1HB   PRO  27          2HB       PRO  27 -13.342   2.384   0.857
  210   2HB   PRO  27          1HB       PRO  27 -15.067   2.559   1.186
  211   1HG   PRO  27          2HG       PRO  27 -13.003   1.786   3.017
  212   2HG   PRO  27          1HG       PRO  27 -14.733   1.926   3.336
  213   1HD   PRO  27          2HD       PRO  27 -13.147  -0.488   3.105
  214   2HD   PRO  27          1HD       PRO  27 -14.879  -0.344   3.485
  215    H    ARG  28           HN       ARG  28 -14.435   1.569  -1.972
  216    HA   ARG  28           HA       ARG  28 -12.648  -0.129  -3.311
  217   1HB   ARG  28          2HB       ARG  28 -13.084   2.866  -3.566
  218   2HB   ARG  28          1HB       ARG  28 -12.330   1.855  -4.798
  219   1HG   ARG  28          2HG       ARG  28 -15.115   1.376  -3.702
  220   2HG   ARG  28          1HG       ARG  28 -14.785   2.277  -5.182
  221   1HD   ARG  28          2HD       ARG  28 -13.794  -0.558  -4.732
  222   2HD   ARG  28          1HD       ARG  28 -15.319  -0.180  -5.556
  223    HE   ARG  28           HE       ARG  28 -14.015   1.036  -7.258
  224   1HH1  ARG  28          1HH1      ARG  28 -12.786  -1.793  -6.865
  225   2HH1  ARG  28          2HH1      ARG  28 -11.100  -1.404  -6.943
  226   1HH2  ARG  28          1HH2      ARG  28 -11.597   2.002  -6.521
  227   2HH2  ARG  28          2HH2      ARG  28 -10.427   0.746  -6.748
  228    H    VAL  29           HN       VAL  29 -10.412  -0.328  -3.347
  229    HA   VAL  29           HA       VAL  29  -8.826   1.641  -1.729
  230    HB   VAL  29           HB       VAL  29  -9.284  -0.532  -0.577
  231   1HG1  VAL  29          3HG1      VAL  29  -7.873  -1.603  -3.032
  232   2HG1  VAL  29          2HG1      VAL  29  -8.028  -2.532  -1.540
  233   3HG1  VAL  29          1HG1      VAL  29  -9.470  -2.042  -2.428
  234   1HG2  VAL  29          1HG2      VAL  29  -6.479   0.202  -1.411
  235   2HG2  VAL  29          3HG2      VAL  29  -7.281   0.498   0.132
  236   3HG2  VAL  29          2HG2      VAL  29  -6.773  -1.136  -0.300
  237    H    GLY  30           HN       GLY  30  -6.748   2.117  -2.570
  238   1HA   GLY  30          1HA       GLY  30  -5.336   2.570  -4.419
  239   2HA   GLY  30          2HA       GLY  30  -6.404   1.593  -5.428
  240    H    LYS  31           HN       LYS  31  -3.811   1.150  -5.894
  241    HA   LYS  31           HA       LYS  31  -3.420  -1.628  -5.308
  242   1HB   LYS  31          2HB       LYS  31  -1.561   0.571  -6.268
  243   2HB   LYS  31          1HB       LYS  31  -1.175  -1.148  -6.331
  244   1HG   LYS  31          2HG       LYS  31  -3.215  -1.518  -7.717
  245   2HG   LYS  31          1HG       LYS  31  -3.497   0.224  -7.717
  246   1HD   LYS  31          2HD       LYS  31  -1.233   0.540  -8.736
  247   2HD   LYS  31          1HD       LYS  31  -1.074  -1.214  -8.840
  248   1HE   LYS  31          2HE       LYS  31  -3.387  -1.073 -10.097
  249   2HE   LYS  31          1HE       LYS  31  -2.907   0.612 -10.377
  250   1HZ   LYS  31          1HZ       LYS  31  -0.886  -1.476 -10.748
  251   2HZ   LYS  31          3HZ       LYS  31  -2.080  -1.332 -11.943
  252   3HZ   LYS  31          2HZ       LYS  31  -1.084  -0.006 -11.575
  253    H    LEU  32           HN       LEU  32  -2.351   1.319  -3.700
  254    HA   LEU  32           HA       LEU  32  -0.667  -0.291  -1.827
  255   1HB   LEU  32          2HB       LEU  32  -0.903   2.703  -2.266
  256   2HB   LEU  32          1HB       LEU  32   0.321   1.889  -1.292
  257    HG   LEU  32           HG       LEU  32  -0.081   1.612  -4.286
  258   1HD1  LEU  32          1HD1      LEU  32   1.889   3.030  -2.517
  259   2HD1  LEU  32          3HD1      LEU  32   2.415   2.425  -4.087
  260   3HD1  LEU  32          2HD1      LEU  32   1.105   3.601  -3.990
  261   1HD2  LEU  32          1HD2      LEU  32   1.622   0.119  -2.298
  262   2HD2  LEU  32          3HD2      LEU  32   0.624  -0.526  -3.601
  263   3HD2  LEU  32          2HD2      LEU  32   2.144   0.290  -3.974
  264    H    ARG  33           HN       ARG  33  -1.191  -0.379   0.354
  265    HA   ARG  33           HA       ARG  33  -3.583   1.180   1.276
  266   1HB   ARG  33          2HB       ARG  33  -4.251  -0.897   2.483
  267   2HB   ARG  33          1HB       ARG  33  -4.173  -1.153   0.741
  268   1HG   ARG  33          2HG       ARG  33  -1.758  -1.944   1.131
  269   2HG   ARG  33          1HG       ARG  33  -2.176  -2.007   2.843
  270   1HD   ARG  33          2HD       ARG  33  -4.109  -3.511   2.255
  271   2HD   ARG  33          1HD       ARG  33  -3.506  -3.546   0.586
  272    HE   ARG  33           HE       ARG  33  -2.016  -4.579   2.966
  273   1HH1  ARG  33          1HH1      ARG  33  -1.353  -3.500  -0.112
  274   2HH1  ARG  33          2HH1      ARG  33  -0.658  -4.979  -0.687
  275   1HH2  ARG  33          1HH2      ARG  33  -1.602  -6.813   2.100
  276   2HH2  ARG  33          2HH2      ARG  33  -0.799  -6.855   0.566
  277    H    ASN  34           HN       ASN  34  -2.569   2.622   2.687
  278    HA   ASN  34           HA       ASN  34  -0.910   1.396   4.854
  279   1HB   ASN  34          2HB       ASN  34   0.724   3.149   4.574
  280   2HB   ASN  34          1HB       ASN  34   0.415   2.470   2.976
  281   1HD2  ASN  34          1HD2      ASN  34   1.415   5.113   3.195
  282   2HD2  ASN  34          2HD2      ASN  34   0.203   6.206   2.728
  283    H    PHE  35           HN       PHE  35  -0.689   2.944   6.737
  284    HA   PHE  35           HA       PHE  35  -3.230   4.487   7.106
  285   1HB   PHE  35          2HB       PHE  35  -2.507   2.341   8.445
  286   2HB   PHE  35          1HB       PHE  35  -1.445   3.458   9.301
  287    HD1  PHE  35           HD1      PHE  35  -4.810   4.197   7.880
  288    HD2  PHE  35           HD2      PHE  35  -2.483   3.574  11.435
  289    HE1  PHE  35           HE1      PHE  35  -6.722   4.954   9.263
  290    HE2  PHE  35           HE2      PHE  35  -4.395   4.331  12.819
  291    HZ   PHE  35           HZ       PHE  35  -6.515   5.022  11.733
  292    H    ALA  36           HN       ALA  36  -3.003   6.676   7.449
  293    HA   ALA  36           HA       ALA  36  -0.468   7.993   7.246
  294   1HB   ALA  36          1HB       ALA  36  -2.398   9.659   8.519
  295   2HB   ALA  36          2HB       ALA  36  -3.269   8.599   7.411
  296   3HB   ALA  36          3HB       ALA  36  -1.964   9.622   6.811
  297    HA   PRO  37           HA       PRO  37  -0.957   8.816  12.005
  298   1HB   PRO  37          2HB       PRO  37  -2.715   6.782  13.032
  299   2HB   PRO  37          1HB       PRO  37  -2.951   8.532  13.041
  300   1HG   PRO  37          2HG       PRO  37  -4.326   6.586  11.450
  301   2HG   PRO  37          1HG       PRO  37  -4.535   8.338  11.434
  302   1HD   PRO  37          2HD       PRO  37  -3.282   6.669   9.427
  303   2HD   PRO  37          1HD       PRO  37  -3.545   8.428   9.385
  304    H    ILE  38           HN       ILE  38  -1.103   6.643  13.957
  305    HA   ILE  38           HA       ILE  38   0.712   4.542  12.892
  306    HB   ILE  38           HB       ILE  38   1.368   6.719  14.876
  307   1HG1  ILE  38          2HG1      ILE  38   3.573   5.911  13.301
  308   2HG1  ILE  38          1HG1      ILE  38   2.180   5.935  12.220
  309   1HG2  ILE  38          2HG2      ILE  38   1.777   4.220  15.700
  310   2HG2  ILE  38          1HG2      ILE  38   3.166   4.340  14.622
  311   3HG2  ILE  38          3HG2      ILE  38   2.990   5.471  15.961
  312   1HD1  ILE  38          3HD1      ILE  38   1.949   8.236  13.847
  313   2HD1  ILE  38          2HD1      ILE  38   3.638   8.161  13.343
  314   3HD1  ILE  38          1HD1      ILE  38   2.357   8.179  12.132
  315    HA   PRO  39           HA       PRO  39  -1.525   1.964  15.671
  316   1HB   PRO  39          2HB       PRO  39   0.834   0.527  16.482
  317   2HB   PRO  39          1HB       PRO  39  -0.397   0.029  15.319
  318   1HG   PRO  39          2HG       PRO  39   2.300   0.920  14.799
  319   2HG   PRO  39          1HG       PRO  39   1.095   0.350  13.642
  320   1HD   PRO  39          2HD       PRO  39   2.039   3.031  13.975
  321   2HD   PRO  39          1HD       PRO  39   0.728   2.479  12.909
  322    H    GLY  40           HN       GLY  40  -1.663   1.463  18.015
  323   1HA   GLY  40          1HA       GLY  40  -0.107   3.423  19.653
  324   2HA   GLY  40          2HA       GLY  40  -0.392   1.779  20.223
  325    H    GLU  41           HN       GLU  41  -3.157   2.015  18.836
  326    HA   GLU  41           HA       GLU  41  -4.480   3.848  20.791
  327   1HB   GLU  41          2HB       GLU  41  -5.632   2.431  18.373
  328   2HB   GLU  41          1HB       GLU  41  -6.300   3.831  19.211
  329   1HG   GLU  41          2HG       GLU  41  -4.129   5.045  18.597
  330   2HG   GLU  41          1HG       GLU  41  -3.808   3.699  17.503
  331    HA   PRO  42           HA       PRO  42  -5.390   0.074  23.060
  332   1HB   PRO  42          2HB       PRO  42  -7.171   1.639  24.691
  333   2HB   PRO  42          1HB       PRO  42  -5.562   1.040  25.102
  334   1HG   PRO  42          2HG       PRO  42  -6.352   3.746  24.530
  335   2HG   PRO  42          1HG       PRO  42  -4.748   3.151  24.963
  336   1HD   PRO  42          2HD       PRO  42  -5.640   4.099  22.393
  337   2HD   PRO  42          1HD       PRO  42  -4.034   3.463  22.820
  338    H    VAL  43           HN       VAL  43  -6.709  -1.069  21.585
  339    HA   VAL  43           HA       VAL  43  -9.619  -0.351  21.617
  340    HB   VAL  43           HB       VAL  43  -7.889  -1.279  19.299
  341   1HG1  VAL  43          1HG1      VAL  43 -10.845  -0.616  19.462
  342   2HG1  VAL  43          3HG1      VAL  43  -9.962  -0.891  17.961
  343   3HG1  VAL  43          2HG1      VAL  43 -10.146  -2.201  19.128
  344   1HG2  VAL  43          2HG2      VAL  43  -8.666   1.341  20.344
  345   2HG2  VAL  43          1HG2      VAL  43  -7.447   0.934  19.135
  346   3HG2  VAL  43          3HG2      VAL  43  -9.134   1.124  18.657
  347    H    VAL  44           HN       VAL  44 -10.932  -2.327  20.816
  348    HA   VAL  44           HA       VAL  44 -11.441  -4.639  20.873
  349    HB   VAL  44           HB       VAL  44  -8.758  -4.477  20.293
  350   1HG1  VAL  44          3HG1      VAL  44  -8.523  -4.911  22.893
  351   2HG1  VAL  44          2HG1      VAL  44  -8.857  -6.577  22.426
  352   3HG1  VAL  44          1HG1      VAL  44  -7.462  -5.735  21.751
  353   1HG2  VAL  44          1HG2      VAL  44 -10.829  -6.162  19.766
  354   2HG2  VAL  44          3HG2      VAL  44  -9.171  -6.454  19.243
  355   3HG2  VAL  44          2HG2      VAL  44  -9.780  -7.220  20.711
  356    HA   PRO  45           HA       PRO  45 -10.861  -3.933  25.631
  357   1HB   PRO  45          2HB       PRO  45 -13.551  -2.924  25.749
  358   2HB   PRO  45          1HB       PRO  45 -12.056  -2.079  26.158
  359   1HG   PRO  45          2HG       PRO  45 -13.754  -1.684  23.863
  360   2HG   PRO  45          1HG       PRO  45 -12.289  -0.802  24.301
  361   1HD   PRO  45          2HD       PRO  45 -12.622  -2.683  22.153
  362   2HD   PRO  45          1HD       PRO  45 -11.128  -1.854  22.651
  363    H    ILE  46           HN       ILE  46 -12.378  -5.096  27.234
  364    HA   ILE  46           HA       ILE  46 -13.025  -7.692  26.514
  365    HB   ILE  46           HB       ILE  46 -14.437  -5.826  28.452
  366   1HG1  ILE  46          2HG1      ILE  46 -12.183  -7.817  28.855
  367   2HG1  ILE  46          1HG1      ILE  46 -11.982  -6.067  28.773
  368   1HG2  ILE  46          1HG2      ILE  46 -15.681  -7.961  27.863
  369   2HG2  ILE  46          3HG2      ILE  46 -14.310  -8.851  28.525
  370   3HG2  ILE  46          2HG2      ILE  46 -15.260  -7.792  29.567
  371   1HD1  ILE  46          2HD1      ILE  46 -13.522  -5.834  30.720
  372   2HD1  ILE  46          1HD1      ILE  46 -13.616  -7.592  30.827
  373   3HD1  ILE  46          3HD1      ILE  46 -12.081  -6.772  31.116
  374    H    LEU  47           HN       LEU  47 -15.121  -4.822  26.247
  375    HA   LEU  47           HA       LEU  47 -17.225  -6.435  24.896
  376   1HB   LEU  47          2HB       LEU  47 -17.129  -3.490  25.632
  377   2HB   LEU  47          1HB       LEU  47 -18.565  -4.433  25.235
  378    HG   LEU  47           HG       LEU  47 -16.751  -4.901  27.622
  379   1HD1  LEU  47          2HD1      LEU  47 -19.147  -3.260  27.167
  380   2HD1  LEU  47          1HD1      LEU  47 -19.308  -4.372  28.526
  381   3HD1  LEU  47          3HD1      LEU  47 -17.984  -3.207  28.493
  382   1HD2  LEU  47          1HD2      LEU  47 -19.233  -6.294  26.593
  383   2HD2  LEU  47          3HD2      LEU  47 -17.658  -7.007  26.944
  384   3HD2  LEU  47          2HD2      LEU  47 -18.686  -6.446  28.264
  385    H    CYS  48           HN       CYS  48 -14.528  -5.742  23.686
  386    HA   CYS  48           HA       CYS  48 -13.687  -5.002  21.605
  387   1HB   CYS  48          2HB       CYS  48 -16.400  -6.030  21.328
  388   2HB   CYS  48          1HB       CYS  48 -16.028  -4.847  20.074
  389    H    SER  49           HN       SER  49 -13.737  -3.127  20.084
  390    HA   SER  49           HA       SER  49 -14.980  -0.735  21.385
  391   1HB   SER  49          2HB       SER  49 -12.593  -0.619  21.289
  392   2HB   SER  49          1HB       SER  49 -12.566  -1.207  19.626
  393    HG   SER  49           HG       SER  49 -13.199   0.707  18.907
  394    H    ASN  50           HN       ASN  50 -13.885  -1.443  18.079
  395    HA   ASN  50           HA       ASN  50 -16.101   0.068  16.913
  396   1HB   ASN  50          2HB       ASN  50 -13.752  -1.548  15.935
  397   2HB   ASN  50          1HB       ASN  50 -14.959  -0.950  14.799
  398   1HD2  ASN  50          1HD2      ASN  50 -13.454   0.600  13.840
  399   2HD2  ASN  50          2HD2      ASN  50 -12.954   1.985  14.685
  400    HA   PRO  51           HA       PRO  51 -18.698  -3.629  17.118
  401   1HB   PRO  51          2HB       PRO  51 -20.762  -2.057  15.875
  402   2HB   PRO  51          1HB       PRO  51 -20.648  -2.560  17.563
  403   1HG   PRO  51          2HG       PRO  51 -20.313   0.075  16.503
  404   2HG   PRO  51          1HG       PRO  51 -20.124  -0.442  18.180
  405   1HD   PRO  51          2HD       PRO  51 -18.053   0.313  16.283
  406   2HD   PRO  51          1HD       PRO  51 -17.879  -0.092  18.006
  407    H    ASN  52           HN       ASN  52 -17.521  -1.790  14.505
  408    HA   ASN  52           HA       ASN  52 -18.502  -3.845  12.553
  409   1HB   ASN  52          2HB       ASN  52 -18.081  -0.855  12.279
  410   2HB   ASN  52          1HB       ASN  52 -18.410  -1.921  10.912
  411   1HD2  ASN  52          1HD2      ASN  52 -20.239   0.169  11.659
  412   2HD2  ASN  52          2HD2      ASN  52 -21.666  -0.553  12.229
  413    H    PHE  53           HN       PHE  53 -15.990  -3.783  14.148
  414    HA   PHE  53           HA       PHE  53 -13.839  -3.020  12.300
  415   1HB   PHE  53          2HB       PHE  53 -12.444  -3.609  14.110
  416   2HB   PHE  53          1HB       PHE  53 -13.929  -3.127  14.927
  417    HD1  PHE  53           HD1      PHE  53 -15.713  -5.399  14.569
  418    HD2  PHE  53           HD2      PHE  53 -11.486  -5.360  15.342
  419    HE1  PHE  53           HE1      PHE  53 -15.881  -7.644  15.602
  420    HE2  PHE  53           HE2      PHE  53 -11.657  -7.613  16.378
  421    HZ   PHE  53           HZ       PHE  53 -13.855  -8.750  16.506
  422    HA   PRO  54           HA       PRO  54 -13.195  -6.795  10.146
  423   1HB   PRO  54          2HB       PRO  54 -10.736  -7.645  11.388
  424   2HB   PRO  54          1HB       PRO  54 -10.948  -6.857   9.823
  425   1HG   PRO  54          2HG       PRO  54  -9.876  -5.727  12.243
  426   2HG   PRO  54          1HG       PRO  54 -10.064  -4.950  10.672
  427   1HD   PRO  54          2HD       PRO  54 -11.571  -4.450  13.066
  428   2HD   PRO  54          1HD       PRO  54 -11.806  -3.708  11.467
  429    H    GLU  55           HN       GLU  55 -15.048  -7.505  11.591
  430    HA   GLU  55           HA       GLU  55 -15.051  -8.816  13.983
  431   1HB   GLU  55          2HB       GLU  55 -16.960  -8.488  12.437
  432   2HB   GLU  55          1HB       GLU  55 -16.345  -9.799  11.423
  433   1HG   GLU  55          2HG       GLU  55 -16.523 -11.346  13.368
  434   2HG   GLU  55          1HG       GLU  55 -17.220 -10.034  14.318
  435    H    GLU  56           HN       GLU  56 -13.530  -9.989  11.034
  436    HA   GLU  56           HA       GLU  56 -13.169 -12.723  11.635
  437   1HB   GLU  56          2HB       GLU  56 -11.263 -10.691  10.414
  438   2HB   GLU  56          1HB       GLU  56 -11.098 -12.441  10.260
  439   1HG   GLU  56          2HG       GLU  56 -13.347 -12.528   9.192
  440   2HG   GLU  56          1HG       GLU  56 -13.433 -10.768   9.281
  441    H    LEU  57           HN       LEU  57 -11.994  -9.908  13.228
  442    HA   LEU  57           HA       LEU  57  -9.784 -11.282  14.633
  443   1HB   LEU  57          2HB       LEU  57 -11.012  -8.517  14.920
  444   2HB   LEU  57          1HB       LEU  57  -9.486  -9.040  15.628
  445    HG   LEU  57           HG       LEU  57 -10.108  -8.918  12.661
  446   1HD1  LEU  57          1HD1      LEU  57  -9.794  -6.715  13.857
  447   2HD1  LEU  57          3HD1      LEU  57  -8.177  -7.259  14.307
  448   3HD1  LEU  57          2HD1      LEU  57  -8.592  -7.037  12.607
  449   1HD2  LEU  57          3HD2      LEU  57  -7.827  -9.990  14.275
  450   2HD2  LEU  57          2HD2      LEU  57  -8.519 -10.600  12.773
  451   3HD2  LEU  57          1HD2      LEU  57  -7.462  -9.189  12.748
  452    H    LYS  58           HN       LYS  58 -12.996 -11.578  14.898
  453    HA   LYS  58           HA       LYS  58 -13.992 -10.928  17.357
  454   1HB   LYS  58          2HB       LYS  58 -14.223 -13.129  15.450
  455   2HB   LYS  58          1HB       LYS  58 -14.600 -13.640  17.096
  456   1HG   LYS  58          2HG       LYS  58 -15.762 -11.036  16.454
  457   2HG   LYS  58          1HG       LYS  58 -16.328 -12.305  15.367
  458   1HD   LYS  58          2HD       LYS  58 -16.380 -13.522  17.867
  459   2HD   LYS  58          1HD       LYS  58 -16.930 -11.879  18.198
  460   1HE   LYS  58          2HE       LYS  58 -18.931 -13.002  17.610
  461   2HE   LYS  58          1HE       LYS  58 -18.449 -12.243  16.081
  462   1HZ   LYS  58          2HZ       LYS  58 -17.388 -14.894  16.820
  463   2HZ   LYS  58          1HZ       LYS  58 -18.936 -14.776  16.130
  464   3HZ   LYS  58          3HZ       LYS  58 -17.583 -14.214  15.277
  465    HA   PRO  59           HA       PRO  59 -11.615 -14.688  19.392
  466   1HB   PRO  59          2HB       PRO  59  -9.175 -14.890  17.872
  467   2HB   PRO  59          1HB       PRO  59 -10.409 -16.129  18.121
  468   1HG   PRO  59          2HG       PRO  59  -9.871 -14.577  15.735
  469   2HG   PRO  59          1HG       PRO  59 -11.018 -15.903  15.946
  470   1HD   PRO  59          2HD       PRO  59 -11.641 -13.149  15.606
  471   2HD   PRO  59          1HD       PRO  59 -12.778 -14.445  16.036
  472    H    LEU  60           HN       LEU  60  -9.702 -12.188  17.652
  473    HA   LEU  60           HA       LEU  60  -7.775 -11.642  19.622
  474   1HB   LEU  60          2HB       LEU  60  -8.677 -10.593  17.194
  475   2HB   LEU  60          1HB       LEU  60  -8.871  -9.260  18.331
  476    HG   LEU  60           HG       LEU  60  -6.429 -10.116  19.086
  477   1HD1  LEU  60          2HD1      LEU  60  -6.969 -11.381  16.521
  478   2HD1  LEU  60          1HD1      LEU  60  -5.557 -10.329  16.435
  479   3HD1  LEU  60          3HD1      LEU  60  -5.616 -11.631  17.623
  480   1HD2  LEU  60          2HD2      LEU  60  -7.466  -7.899  17.854
  481   2HD2  LEU  60          1HD2      LEU  60  -5.765  -8.094  18.277
  482   3HD2  LEU  60          3HD2      LEU  60  -6.315  -8.462  16.642
  483    H    CYS  61           HN       CYS  61 -11.108 -10.385  19.326
  484    HA   CYS  61           HA       CYS  61 -10.995  -8.598  21.566
  485   1HB   CYS  61          2HB       CYS  61 -13.133 -10.058  20.020
  486   2HB   CYS  61          1HB       CYS  61 -13.563  -9.073  21.418
  487    H    LYS  62           HN       LYS  62 -11.517 -12.073  21.310
  488    HA   LYS  62           HA       LYS  62 -12.441 -12.286  24.106
  489   1HB   LYS  62          2HB       LYS  62 -11.866 -14.301  21.915
  490   2HB   LYS  62          1HB       LYS  62 -12.608 -14.692  23.466
  491   1HG   LYS  62          2HG       LYS  62 -14.479 -13.188  22.982
  492   2HG   LYS  62          1HG       LYS  62 -13.722 -12.702  21.465
  493   1HD   LYS  62          2HD       LYS  62 -15.419 -14.395  21.005
  494   2HD   LYS  62          1HD       LYS  62 -13.823 -15.080  20.703
  495   1HE   LYS  62          2HE       LYS  62 -14.379 -16.754  22.134
  496   2HE   LYS  62          1HE       LYS  62 -14.346 -15.555  23.442
  497   1HZ   LYS  62          1HZ       LYS  62 -16.662 -16.008  21.630
  498   2HZ   LYS  62          3HZ       LYS  62 -16.534 -16.672  23.184
  499   3HZ   LYS  62          2HZ       LYS  62 -16.618 -14.987  22.987
  500    H    GLU  63           HN       GLU  63  -9.407 -11.896  22.774
  501    HA   GLU  63           HA       GLU  63  -8.175 -13.678  24.851
  502   1HB   GLU  63          2HB       GLU  63  -6.259 -13.803  23.274
  503   2HB   GLU  63          1HB       GLU  63  -7.750 -14.381  22.532
  504   1HG   GLU  63          2HG       GLU  63  -8.072 -12.207  21.440
  505   2HG   GLU  63          1HG       GLU  63  -6.616 -11.585  22.219
  506    HA   PRO  64           HA       PRO  64  -6.632  -9.999  26.725
  507   1HB   PRO  64          2HB       PRO  64  -4.305 -11.390  27.685
  508   2HB   PRO  64          1HB       PRO  64  -5.776 -10.982  28.573
  509   1HG   PRO  64          2HG       PRO  64  -4.920 -13.571  27.703
  510   2HG   PRO  64          1HG       PRO  64  -6.417 -13.156  28.541
  511   1HD   PRO  64          2HD       PRO  64  -6.065 -13.923  25.762
  512   2HD   PRO  64          1HD       PRO  64  -7.583 -13.597  26.631
  513    H    ASN  65           HN       ASN  65  -4.798 -11.859  24.417
  514    HA   ASN  65           HA       ASN  65  -2.519 -10.031  24.287
  515   1HB   ASN  65          2HB       ASN  65  -3.529 -12.185  22.401
  516   2HB   ASN  65          1HB       ASN  65  -1.915 -11.476  22.382
  517   1HD2  ASN  65          1HD2      ASN  65  -2.980 -14.324  23.063
  518   2HD2  ASN  65          2HD2      ASN  65  -2.237 -14.677  24.548
  519    H    ALA  66           HN       ALA  66  -5.715  -9.988  23.072
  520    HA   ALA  66           HA       ALA  66  -5.617  -8.865  20.534
  521   1HB   ALA  66          1HB       ALA  66  -7.474  -9.311  22.452
  522   2HB   ALA  66          2HB       ALA  66  -7.801  -8.335  21.020
  523   3HB   ALA  66          3HB       ALA  66  -7.369  -7.556  22.543
  524    H    GLN  67           HN       GLN  67  -5.088  -7.193  23.644
  525    HA   GLN  67           HA       GLN  67  -4.903  -4.533  22.703
  526   1HB   GLN  67          2HB       GLN  67  -3.456  -6.016  24.919
  527   2HB   GLN  67          1HB       GLN  67  -3.493  -4.258  24.772
  528   1HG   GLN  67          2HG       GLN  67  -5.959  -4.299  24.899
  529   2HG   GLN  67          1HG       GLN  67  -5.923  -6.056  25.045
  530   1HE2  GLN  67          1HE2      GLN  67  -7.084  -4.554  27.128
  531   2HE2  GLN  67          2HE2      GLN  67  -6.080  -4.616  28.496
  532    H    GLU  68           HN       GLU  68  -2.369  -7.049  22.900
  533    HA   GLU  68           HA       GLU  68  -0.309  -5.280  21.808
  534   1HB   GLU  68          2HB       GLU  68  -0.484  -8.268  22.312
  535   2HB   GLU  68          1HB       GLU  68   0.996  -7.418  21.866
  536   1HG   GLU  68          2HG       GLU  68   0.767  -5.993  23.883
  537   2HG   GLU  68          1HG       GLU  68  -0.685  -6.887  24.336
  538    H    ILE  69           HN       ILE  69  -2.469  -7.808  20.569
  539    HA   ILE  69           HA       ILE  69  -1.225  -8.073  17.977
  540    HB   ILE  69           HB       ILE  69  -4.048  -8.572  18.980
  541   1HG1  ILE  69          2HG1      ILE  69  -1.716 -10.472  18.594
  542   2HG1  ILE  69          1HG1      ILE  69  -2.206  -9.802  20.150
  543   1HG2  ILE  69          2HG2      ILE  69  -2.698  -9.020  16.364
  544   2HG2  ILE  69          1HG2      ILE  69  -3.710 -10.332  16.968
  545   3HG2  ILE  69          3HG2      ILE  69  -4.402  -8.729  16.715
  546   1HD1  ILE  69          3HD1      ILE  69  -4.557 -10.826  18.946
  547   2HD1  ILE  69          2HD1      ILE  69  -3.310 -12.056  18.730
  548   3HD1  ILE  69          1HD1      ILE  69  -3.703 -11.472  20.347
  549    H    LEU  70           HN       LEU  70  -4.054  -6.198  19.118
  550    HA   LEU  70           HA       LEU  70  -4.932  -5.032  16.751
  551   1HB   LEU  70          2HB       LEU  70  -5.985  -4.721  18.926
  552   2HB   LEU  70          1HB       LEU  70  -4.576  -3.846  19.522
  553    HG   LEU  70           HG       LEU  70  -6.749  -2.585  18.563
  554   1HD1  LEU  70          2HD1      LEU  70  -4.604  -1.648  19.555
  555   2HD1  LEU  70          1HD1      LEU  70  -3.957  -1.615  17.914
  556   3HD1  LEU  70          3HD1      LEU  70  -5.368  -0.640  18.325
  557   1HD2  LEU  70          1HD2      LEU  70  -6.227  -3.785  16.302
  558   2HD2  LEU  70          3HD2      LEU  70  -6.644  -2.072  16.276
  559   3HD2  LEU  70          2HD2      LEU  70  -4.958  -2.571  16.143
  560    H    GLN  71           HN       GLN  71  -2.579  -3.415  18.938
  561    HA   GLN  71           HA       GLN  71  -1.808  -1.315  17.268
  562   1HB   GLN  71          2HB       GLN  71  -1.162  -1.746  19.646
  563   2HB   GLN  71          1HB       GLN  71  -0.042  -2.985  19.082
  564   1HG   GLN  71          2HG       GLN  71   1.073  -1.226  17.664
  565   2HG   GLN  71          1HG       GLN  71   0.046  -0.023  18.444
  566   1HE2  GLN  71          1HE2      GLN  71   1.320   1.044  19.973
  567   2HE2  GLN  71          2HE2      GLN  71   2.369   0.278  21.067
  568    H    ARG  72           HN       ARG  72  -0.153  -4.492  17.485
  569    HA   ARG  72           HA       ARG  72   1.766  -4.120  15.471
  570   1HB   ARG  72          2HB       ARG  72   0.171  -6.566  16.297
  571   2HB   ARG  72          1HB       ARG  72   1.633  -6.630  15.312
  572   1HG   ARG  72          2HG       ARG  72   2.843  -5.418  17.154
  573   2HG   ARG  72          1HG       ARG  72   1.391  -5.569  18.143
  574   1HD   ARG  72          2HD       ARG  72   1.516  -8.066  17.838
  575   2HD   ARG  72          1HD       ARG  72   3.072  -7.838  17.020
  576    HE   ARG  72           HE       ARG  72   2.523  -7.057  19.863
  577   1HH1  ARG  72          1HH1      ARG  72   4.262  -9.400  19.410
  578   2HH1  ARG  72          2HH1      ARG  72   5.851  -8.712  19.422
  579   1HH2  ARG  72          1HH2      ARG  72   4.737  -5.463  18.947
  580   2HH2  ARG  72          2HH2      ARG  72   6.120  -6.483  19.161
  581    H    LEU  73           HN       LEU  73  -1.489  -5.594  15.050
  582    HA   LEU  73           HA       LEU  73  -1.439  -5.992  12.275
  583   1HB   LEU  73          2HB       LEU  73  -3.205  -6.577  14.026
  584   2HB   LEU  73          1HB       LEU  73  -3.794  -4.925  13.857
  585    HG   LEU  73           HG       LEU  73  -4.447  -5.266  11.614
  586   1HD1  LEU  73          2HD1      LEU  73  -2.470  -7.521  11.733
  587   2HD1  LEU  73          1HD1      LEU  73  -3.781  -7.595  10.555
  588   3HD1  LEU  73          3HD1      LEU  73  -2.640  -6.251  10.521
  589   1HD2  LEU  73          2HD2      LEU  73  -5.880  -6.483  13.229
  590   2HD2  LEU  73          1HD2      LEU  73  -5.834  -7.296  11.665
  591   3HD2  LEU  73          3HD2      LEU  73  -4.885  -7.922  13.013
  592    H    GLU  74           HN       GLU  74  -2.481  -3.031  14.013
  593    HA   GLU  74           HA       GLU  74  -3.123  -1.436  11.773
  594   1HB   GLU  74          2HB       GLU  74  -1.813  -0.671  14.402
  595   2HB   GLU  74          1HB       GLU  74  -2.701   0.426  13.346
  596   1HG   GLU  74          2HG       GLU  74  -4.709  -1.073  13.605
  597   2HG   GLU  74          1HG       GLU  74  -3.802  -1.986  14.810
  598    H    GLU  75           HN       GLU  75   0.068  -1.962  13.335
  599    HA   GLU  75           HA       GLU  75   1.515  -0.078  11.729
  600   1HB   GLU  75          2HB       GLU  75   2.193  -1.141  13.908
  601   2HB   GLU  75          1HB       GLU  75   2.453  -2.652  13.037
  602   1HG   GLU  75          2HG       GLU  75   4.094  -1.490  11.568
  603   2HG   GLU  75          1HG       GLU  75   3.871  -0.020  12.516
  604    H    ILE  76           HN       ILE  76   1.366  -3.663  11.474
  605    HA   ILE  76           HA       ILE  76   2.789  -3.873   9.017
  606    HB   ILE  76           HB       ILE  76   0.515  -5.578  10.088
  607   1HG1  ILE  76          2HG1      ILE  76   2.115  -5.335  11.853
  608   2HG1  ILE  76          1HG1      ILE  76   2.459  -6.889  11.094
  609   1HG2  ILE  76          3HG2      ILE  76   2.655  -5.952   8.018
  610   2HG2  ILE  76          2HG2      ILE  76   2.113  -7.348   8.951
  611   3HG2  ILE  76          1HG2      ILE  76   0.961  -6.440   7.972
  612   1HD1  ILE  76          2HD1      ILE  76   4.170  -5.678   9.654
  613   2HD1  ILE  76          1HD1      ILE  76   3.938  -4.276  10.698
  614   3HD1  ILE  76          3HD1      ILE  76   4.572  -5.779  11.369
  615    H    ALA  77           HN       ALA  77  -0.658  -3.439   9.697
  616    HA   ALA  77           HA       ALA  77  -1.622  -3.599   6.999
  617   1HB   ALA  77          3HB       ALA  77  -3.013  -3.713   9.046
  618   2HB   ALA  77          2HB       ALA  77  -2.622  -2.031   9.404
  619   3HB   ALA  77          1HB       ALA  77  -3.582  -2.431   7.979
  620    H    GLU  78           HN       GLU  78  -0.085  -1.065   8.860
  621    HA   GLU  78           HA       GLU  78  -0.761   1.186   7.224
  622   1HB   GLU  78          2HB       GLU  78   0.184   1.185   9.545
  623   2HB   GLU  78          1HB       GLU  78   1.724   0.641   8.880
  624   1HG   GLU  78          2HG       GLU  78   1.725   2.687   7.410
  625   2HG   GLU  78          1HG       GLU  78   0.299   3.250   8.284
  626    H    ASP  79           HN       ASP  79   1.890  -1.204   7.028
  627    HA   ASP  79           HA       ASP  79   2.404  -0.296   4.243
  628   1HB   ASP  79          2HB       ASP  79   4.015   0.278   6.596
  629   2HB   ASP  79          1HB       ASP  79   4.940  -0.627   5.398
  630    HA   PRO  80           HA       PRO  80   3.011  -4.552   3.402
  631   1HB   PRO  80          2HB       PRO  80   5.328  -4.104   1.758
  632   2HB   PRO  80          1HB       PRO  80   3.662  -4.363   1.239
  633   1HG   PRO  80          2HG       PRO  80   5.176  -1.922   1.161
  634   2HG   PRO  80          1HG       PRO  80   3.508  -2.180   0.643
  635   1HD   PRO  80          2HD       PRO  80   4.441  -0.746   2.969
  636   2HD   PRO  80          1HD       PRO  80   2.760  -1.003   2.444
  637    H    GLY  81           HN       GLY  81   6.352  -3.276   3.287
  638   1HA   GLY  81          1HA       GLY  81   7.075  -4.544   5.817
  639   2HA   GLY  81          2HA       GLY  81   8.186  -3.742   4.703
  640    H    THR  82           HN       THR  82   8.133  -6.516   6.070
  641    HA   THR  82           HA       THR  82   9.252  -7.976   3.794
  642    HB   THR  82           HB       THR  82   9.745  -9.636   5.538
  643    HG1  THR  82          1HG       THR  82   8.223  -7.989   7.264
  644   1HG2  THR  82          1HG2      THR  82  10.886  -7.263   5.384
  645   2HG2  THR  82          3HG2      THR  82  10.097  -7.011   6.941
  646   3HG2  THR  82          2HG2      THR  82  11.248  -8.333   6.738
  647    H    CYS  83           HN       CYS  83   6.206  -7.835   5.489
  648    HA   CYS  83           HA       CYS  83   5.070 -10.356   4.961
  649   1HB   CYS  83          2HB       CYS  83   4.184  -8.311   6.241
  650   2HB   CYS  83          1HB       CYS  83   3.645  -7.700   4.676
  651    H    GLU  84           HN       GLU  84   4.880  -7.434   2.890
  652    HA   GLU  84           HA       GLU  84   3.544  -8.613   0.692
  653   1HB   GLU  84          2HB       GLU  84   3.939  -6.193   1.131
  654   2HB   GLU  84          1HB       GLU  84   5.641  -6.422   0.729
  655   1HG   GLU  84          2HG       GLU  84   4.942  -7.258  -1.526
  656   2HG   GLU  84          1HG       GLU  84   3.272  -6.864  -1.114
  657    H    ILE  85           HN       ILE  85   6.998  -8.637   1.535
  658    HA   ILE  85           HA       ILE  85   7.624  -9.996  -1.039
  659    HB   ILE  85           HB       ILE  85   9.905  -9.454  -0.477
  660   1HG1  ILE  85          2HG1      ILE  85   8.784  -8.961   2.288
  661   2HG1  ILE  85          1HG1      ILE  85  10.025 -10.121   1.820
  662   1HG2  ILE  85          2HG2      ILE  85   8.342  -7.568  -1.142
  663   2HG2  ILE  85          1HG2      ILE  85   8.219  -7.167   0.570
  664   3HG2  ILE  85          3HG2      ILE  85   9.776  -7.061  -0.250
  665   1HD1  ILE  85          1HD1      ILE  85  11.394  -8.091   1.039
  666   2HD1  ILE  85          3HD1      ILE  85  10.231  -7.108   1.929
  667   3HD1  ILE  85          2HD1      ILE  85  11.215  -8.296   2.781
  668    H    CYS  86           HN       CYS  86   6.348 -11.051   1.712
  669    HA   CYS  86           HA       CYS  86   6.337 -13.144   2.808
  670   1HB   CYS  86          2HB       CYS  86   8.083 -13.920   0.452
  671   2HB   CYS  86          1HB       CYS  86   7.064 -14.992   1.414
  672    H    ALA  87           HN       ALA  87   8.867 -11.165   2.798
  673    HA   ALA  87           HA       ALA  87  11.145 -12.780   3.458
  674   1HB   ALA  87          2HB       ALA  87  11.568 -10.459   4.774
  675   2HB   ALA  87          3HB       ALA  87  10.227  -9.960   3.744
  676   3HB   ALA  87          1HB       ALA  87  11.708 -10.587   3.022
  677    H    TYR  88           HN       TYR  88   8.248 -12.072   5.182
  678    HA   TYR  88           HA       TYR  88   9.406 -13.335   7.637
  679   1HB   TYR  88          2HB       TYR  88   9.257 -10.791   7.693
  680   2HB   TYR  88          1HB       TYR  88   7.506 -10.975   7.600
  681    HD1  TYR  88           HD1      TYR  88  10.450 -12.235   9.557
  682    HD2  TYR  88           HD2      TYR  88   6.283 -11.191   9.578
  683    HE1  TYR  88           HE1      TYR  88  10.362 -12.638  12.003
  684    HE2  TYR  88           HE2      TYR  88   6.195 -11.593  12.023
  685    HH   TYR  88           HH       TYR  88   8.720 -11.667  13.965
  686    H    ALA  89           HN       ALA  89   7.609 -14.153   9.086
  687    HA   ALA  89           HA       ALA  89   5.659 -15.660   7.547
  688   1HB   ALA  89          1HB       ALA  89   6.917 -15.758  10.044
  689   2HB   ALA  89          3HB       ALA  89   5.217 -15.491  10.427
  690   3HB   ALA  89          2HB       ALA  89   5.693 -16.882   9.454
  691    H    ALA  90           HN       ALA  90   5.656 -12.458   8.345
  692    HA   ALA  90           HA       ALA  90   3.088 -11.973   9.490
  693   1HB   ALA  90          1HB       ALA  90   5.041 -10.471   7.762
  694   2HB   ALA  90          3HB       ALA  90   3.488  -9.741   8.172
  695   3HB   ALA  90          2HB       ALA  90   4.616 -10.190   9.451
  696    H    CYS  91           HN       CYS  91   4.115 -12.368   6.098
  697    HA   CYS  91           HA       CYS  91   1.268 -12.109   5.232
  698   1HB   CYS  91          2HB       CYS  91   3.918 -11.496   4.165
  699   2HB   CYS  91          1HB       CYS  91   2.913 -12.356   3.001
  700    H    THR  92           HN       THR  92   0.197 -14.028   5.028
  701    HA   THR  92           HA       THR  92   1.761 -16.507   4.457
  702    HB   THR  92           HB       THR  92  -0.243 -17.616   5.356
  703    HG1  THR  92          1HG       THR  92  -1.277 -15.104   4.894
  704   1HG2  THR  92          3HG2      THR  92   1.556 -16.215   6.784
  705   2HG2  THR  92          2HG2      THR  92   0.090 -15.361   7.264
  706   3HG2  THR  92          1HG2      THR  92   0.228 -17.098   7.539
  707    H    GLY  93           HN       GLY  93   0.636 -18.077   2.940
  708   1HA   GLY  93          1HA       GLY  93  -1.159 -16.810   0.955
  709   2HA   GLY  93          2HA       GLY  93  -0.763 -18.527   1.038
  710    H    CYS  94           HN       CYS  94   2.049 -16.774   1.431
  711    HA   CYS  94           HA       CYS  94   2.608 -16.573  -1.493
  712   1HB   CYS  94          2HB       CYS  94   2.985 -14.777   0.417
  713   2HB   CYS  94          1HB       CYS  94   4.460 -15.700   0.704

  No H/Q in entry =         713
  Start of MODEL   23
    1    H1   VAL   1          2H        VAL   1  -2.530 -12.537   0.500
    2    H2   VAL   1          1H        VAL   1  -2.012 -11.415  -0.667
    3    H3   VAL   1          3H        VAL   1  -1.246 -12.924  -0.544
    4    HA   VAL   1           HA       VAL   1  -0.103 -12.364   1.372
    5    HB   VAL   1           HB       VAL   1  -0.555  -9.939  -0.389
    6   1HG1  VAL   1          1HG1      VAL   1   0.995 -10.243   2.087
    7   2HG1  VAL   1          3HG1      VAL   1   1.963  -9.681   0.724
    8   3HG1  VAL   1          2HG1      VAL   1   0.534  -8.776   1.225
    9   1HG2  VAL   1          3HG2      VAL   1   0.633 -12.363  -0.927
   10   2HG2  VAL   1          2HG2      VAL   1   1.006 -10.855  -1.762
   11   3HG2  VAL   1          1HG2      VAL   1   2.010 -11.387  -0.412
   12    H    THR   2           HN       THR   2  -1.407 -12.472   3.272
   13    HA   THR   2           HA       THR   2  -2.607  -9.855   4.122
   14    HB   THR   2           HB       THR   2  -4.202 -11.731   3.416
   15    HG1  THR   2          1HG       THR   2  -5.170 -11.522   5.765
   16   1HG2  THR   2          2HG2      THR   2  -2.518 -13.187   5.178
   17   2HG2  THR   2          1HG2      THR   2  -4.113 -13.110   5.927
   18   3HG2  THR   2          3HG2      THR   2  -3.933 -13.774   4.304
   19    H    VAL   3           HN       VAL   3  -2.820  -9.772   6.573
   20    HA   VAL   3           HA       VAL   3  -0.317 -10.789   7.803
   21    HB   VAL   3           HB       VAL   3  -2.148  -8.523   8.080
   22   1HG1  VAL   3          1HG1      VAL   3  -1.377 -10.123  10.510
   23   2HG1  VAL   3          3HG1      VAL   3  -1.504  -8.368  10.615
   24   3HG1  VAL   3          2HG1      VAL   3  -2.909  -9.327  10.148
   25   1HG2  VAL   3          1HG2      VAL   3   0.715  -9.229   8.514
   26   2HG2  VAL   3          3HG2      VAL   3   0.015  -7.884   7.611
   27   3HG2  VAL   3          2HG2      VAL   3   0.094  -7.817   9.373
   28    H    GLN   4           HN       GLN   4  -0.470 -12.763   8.758
   29    HA   GLN   4           HA       GLN   4  -3.073 -13.546  10.018
   30   1HB   GLN   4          2HB       GLN   4  -2.147 -14.888   8.121
   31   2HB   GLN   4          1HB       GLN   4  -0.719 -15.224   9.101
   32   1HG   GLN   4          2HG       GLN   4  -2.045 -16.388  10.752
   33   2HG   GLN   4          1HG       GLN   4  -3.544 -15.893   9.968
   34   1HE2  GLN   4          1HE2      GLN   4  -3.265 -18.605  10.263
   35   2HE2  GLN   4          2HE2      GLN   4  -2.861 -19.345   8.789
   36    H    ASP   5           HN       ASP   5  -3.081 -13.463  12.214
   37    HA   ASP   5           HA       ASP   5  -0.493 -13.573  13.697
   38   1HB   ASP   5          2HB       ASP   5  -1.877 -12.638  15.522
   39   2HB   ASP   5          1HB       ASP   5  -2.074 -11.688  14.049
   40    H    GLY   6           HN       GLY   6  -2.726 -15.706  12.599
   41   1HA   GLY   6          1HA       GLY   6  -3.600 -17.252  14.772
   42   2HA   GLY   6          2HA       GLY   6  -1.962 -17.803  14.413
   43    H    ASN   7           HN       ASN   7  -4.722 -19.055  13.990
   44    HA   ASN   7           HA       ASN   7  -4.128 -20.191  11.351
   45   1HB   ASN   7          2HB       ASN   7  -6.343 -20.606  13.384
   46   2HB   ASN   7          1HB       ASN   7  -6.106 -21.609  11.954
   47   1HD2  ASN   7          1HD2      ASN   7  -5.916 -22.708  14.601
   48   2HD2  ASN   7          2HD2      ASN   7  -4.306 -23.170  14.873
   49    H    PHE   8           HN       PHE   8  -5.646 -17.379  12.245
   50    HA   PHE   8           HA       PHE   8  -7.722 -17.575  10.095
   51   1HB   PHE   8          2HB       PHE   8  -7.349 -15.705  12.457
   52   2HB   PHE   8          1HB       PHE   8  -8.687 -15.615  11.311
   53    HD1  PHE   8           HD1      PHE   8 -10.389 -17.391  11.212
   54    HD2  PHE   8           HD2      PHE   8  -7.205 -17.497  14.093
   55    HE1  PHE   8           HE1      PHE   8 -11.607 -19.131  12.493
   56    HE2  PHE   8           HE2      PHE   8  -8.423 -19.237  15.374
   57    HZ   PHE   8           HZ       PHE   8 -10.623 -20.055  14.574
   58    H    SER   9           HN       SER   9  -7.498 -16.299   8.286
   59    HA   SER   9           HA       SER   9  -5.052 -14.686   7.969
   60   1HB   SER   9          2HB       SER   9  -6.411 -16.326   6.350
   61   2HB   SER   9          1HB       SER   9  -7.260 -14.833   5.953
   62    HG   SER   9           HG       SER   9  -4.527 -15.452   5.671
   63    H    PHE  10           HN       PHE  10  -5.022 -12.488   8.340
   64    HA   PHE  10           HA       PHE  10  -7.659 -11.059   8.416
   65   1HB   PHE  10          2HB       PHE  10  -5.059 -10.651   9.926
   66   2HB   PHE  10          1HB       PHE  10  -6.457  -9.585  10.061
   67    HD1  PHE  10           HD1      PHE  10  -8.512 -11.931   9.719
   68    HD2  PHE  10           HD2      PHE  10  -5.112 -11.325  12.275
   69    HE1  PHE  10           HE1      PHE  10  -9.508 -13.450  11.404
   70    HE2  PHE  10           HE2      PHE  10  -6.110 -12.847  13.960
   71    HZ   PHE  10           HZ       PHE  10  -8.307 -13.908  13.526
   72    H    SER  11           HN       SER  11  -7.899  -9.474   6.906
   73    HA   SER  11           HA       SER  11  -5.727  -8.762   5.091
   74   1HB   SER  11          2HB       SER  11  -7.472  -7.523   3.981
   75   2HB   SER  11          1HB       SER  11  -8.210  -9.004   4.590
   76    HG   SER  11           HG       SER  11  -8.898  -6.516   5.117
   77    H    LEU  12           HN       LEU  12  -5.376  -6.302   4.664
   78    HA   LEU  12           HA       LEU  12  -4.770  -5.009   7.280
   79   1HB   LEU  12          2HB       LEU  12  -3.851  -4.511   4.430
   80   2HB   LEU  12          1HB       LEU  12  -3.238  -3.659   5.846
   81    HG   LEU  12           HG       LEU  12  -2.670  -5.987   6.789
   82   1HD1  LEU  12          1HD1      LEU  12  -3.548  -6.621   4.003
   83   2HD1  LEU  12          3HD1      LEU  12  -2.174  -7.513   4.655
   84   3HD1  LEU  12          2HD1      LEU  12  -3.733  -7.568   5.479
   85   1HD2  LEU  12          1HD2      LEU  12  -1.250  -4.208   5.184
   86   2HD2  LEU  12          3HD2      LEU  12  -0.558  -5.530   6.125
   87   3HD2  LEU  12          2HD2      LEU  12  -0.965  -5.775   4.426
   88    H    GLU  13           HN       GLU  13  -7.109  -4.875   4.850
   89    HA   GLU  13           HA       GLU  13  -7.525  -2.018   4.648
   90   1HB   GLU  13          2HB       GLU  13  -9.395  -4.369   4.211
   91   2HB   GLU  13          1HB       GLU  13  -9.632  -2.737   3.587
   92   1HG   GLU  13          2HG       GLU  13  -7.509  -2.927   2.321
   93   2HG   GLU  13          1HG       GLU  13  -7.311  -4.573   2.920
   94    H    SER  14           HN       SER  14  -9.864  -4.333   6.035
   95    HA   SER  14           HA       SER  14 -11.397  -2.610   7.555
   96   1HB   SER  14          2HB       SER  14 -10.406  -5.284   8.559
   97   2HB   SER  14          1HB       SER  14 -11.984  -4.548   8.835
   98    HG   SER  14           HG       SER  14 -11.924  -4.592   6.330
   99    H    VAL  15           HN       VAL  15  -8.397  -4.205   8.699
  100    HA   VAL  15           HA       VAL  15  -8.344  -3.034  11.282
  101    HB   VAL  15           HB       VAL  15  -5.834  -3.514  10.995
  102   1HG1  VAL  15          3HG1      VAL  15  -7.832  -5.084  11.704
  103   2HG1  VAL  15          2HG1      VAL  15  -7.509  -5.859  10.150
  104   3HG1  VAL  15          1HG1      VAL  15  -6.242  -5.780  11.375
  105   1HG2  VAL  15          3HG2      VAL  15  -6.767  -3.682   8.240
  106   2HG2  VAL  15          2HG2      VAL  15  -5.119  -3.654   8.859
  107   3HG2  VAL  15          1HG2      VAL  15  -5.991  -5.180   8.749
  108    H    LYS  16           HN       LYS  16  -6.839  -1.877   8.227
  109    HA   LYS  16           HA       LYS  16  -5.624   0.463   9.300
  110   1HB   LYS  16          2HB       LYS  16  -5.256  -0.471   7.029
  111   2HB   LYS  16          1HB       LYS  16  -6.907  -0.030   6.587
  112   1HG   LYS  16          2HG       LYS  16  -6.401   2.338   6.954
  113   2HG   LYS  16          1HG       LYS  16  -4.774   1.930   7.495
  114   1HD   LYS  16          2HD       LYS  16  -4.361   0.887   5.245
  115   2HD   LYS  16          1HD       LYS  16  -5.932   1.497   4.726
  116   1HE   LYS  16          2HE       LYS  16  -4.676   3.723   5.879
  117   2HE   LYS  16          1HE       LYS  16  -3.402   2.924   4.939
  118   1HZ   LYS  16          2HZ       LYS  16  -6.151   3.519   3.960
  119   2HZ   LYS  16          1HZ       LYS  16  -4.761   4.408   3.554
  120   3HZ   LYS  16          3HZ       LYS  16  -4.906   2.792   3.060
  121    H    LYS  17           HN       LYS  17  -8.804   0.127   7.671
  122    HA   LYS  17           HA       LYS  17  -9.678   2.776   8.574
  123   1HB   LYS  17          2HB       LYS  17 -11.111   0.443   7.255
  124   2HB   LYS  17          1HB       LYS  17 -11.748   2.081   7.394
  125   1HG   LYS  17          2HG       LYS  17  -9.852   2.935   6.068
  126   2HG   LYS  17          1HG       LYS  17  -9.204   1.300   5.937
  127   1HD   LYS  17          2HD       LYS  17 -11.269   0.582   4.780
  128   2HD   LYS  17          1HD       LYS  17 -11.901   2.224   4.898
  129   1HE   LYS  17          2HE       LYS  17  -9.919   3.032   3.585
  130   2HE   LYS  17          1HE       LYS  17  -9.421   1.342   3.376
  131   1HZ   LYS  17          3HZ       LYS  17 -12.171   2.249   2.750
  132   2HZ   LYS  17          2HZ       LYS  17 -10.930   2.339   1.592
  133   3HZ   LYS  17          1HZ       LYS  17 -11.387   0.835   2.237
  134    H    LEU  18           HN       LEU  18  -9.120   0.149  10.333
  135    HA   LEU  18           HA       LEU  18 -11.522  -0.598  11.640
  136   1HB   LEU  18          2HB       LEU  18  -9.136  -1.543  11.696
  137   2HB   LEU  18          1HB       LEU  18  -8.780  -0.297  12.891
  138    HG   LEU  18           HG       LEU  18 -11.058  -2.271  13.187
  139   1HD1  LEU  18          3HD1      LEU  18  -8.187  -2.406  14.167
  140   2HD1  LEU  18          2HD1      LEU  18  -9.489  -3.401  14.823
  141   3HD1  LEU  18          1HD1      LEU  18  -9.017  -3.568  13.132
  142   1HD2  LEU  18          1HD2      LEU  18  -9.795  -0.135  14.864
  143   2HD2  LEU  18          3HD2      LEU  18 -11.498  -0.559  14.690
  144   3HD2  LEU  18          2HD2      LEU  18 -10.436  -1.566  15.674
  145    H    LYS  19           HN       LYS  19  -9.456   2.239  12.023
  146    HA   LYS  19           HA       LYS  19 -10.461   3.139  14.559
  147   1HB   LYS  19          2HB       LYS  19  -9.307   4.598  12.161
  148   2HB   LYS  19          1HB       LYS  19  -9.501   5.310  13.763
  149   1HG   LYS  19          2HG       LYS  19  -8.064   3.493  14.699
  150   2HG   LYS  19          1HG       LYS  19  -7.804   2.897  13.059
  151   1HD   LYS  19          2HD       LYS  19  -6.887   5.145  12.442
  152   2HD   LYS  19          1HD       LYS  19  -7.035   5.628  14.132
  153   1HE   LYS  19          2HE       LYS  19  -5.685   3.213  14.312
  154   2HE   LYS  19          1HE       LYS  19  -4.993   3.950  12.855
  155   1HZ   LYS  19          1HZ       LYS  19  -4.785   6.041  14.129
  156   2HZ   LYS  19          3HZ       LYS  19  -5.302   5.229  15.525
  157   3HZ   LYS  19          2HZ       LYS  19  -3.840   4.789  14.782
  158    H    ASP  20           HN       ASP  20 -11.589   3.595  11.223
  159    HA   ASP  20           HA       ASP  20 -14.096   4.815  12.326
  160   1HB   ASP  20          2HB       ASP  20 -12.483   6.483  11.358
  161   2HB   ASP  20          1HB       ASP  20 -12.607   5.639   9.815
  162    H    LEU  21           HN       LEU  21 -15.985   4.061  11.321
  163    HA   LEU  21           HA       LEU  21 -15.699   1.707   9.574
  164   1HB   LEU  21          2HB       LEU  21 -17.694   2.987  11.318
  165   2HB   LEU  21          1HB       LEU  21 -18.386   2.250   9.873
  166    HG   LEU  21           HG       LEU  21 -18.299   0.593  11.671
  167   1HD1  LEU  21          1HD1      LEU  21 -16.899   0.353   9.145
  168   2HD1  LEU  21          3HD1      LEU  21 -16.175  -0.708  10.353
  169   3HD1  LEU  21          2HD1      LEU  21 -17.893  -0.841   9.979
  170   1HD2  LEU  21          3HD2      LEU  21 -15.456   1.553  11.837
  171   2HD2  LEU  21          2HD2      LEU  21 -16.611   1.266  13.138
  172   3HD2  LEU  21          1HD2      LEU  21 -15.845  -0.097  12.323
  173    H    GLN  22           HN       GLN  22 -16.202   1.659   7.391
  174    HA   GLN  22           HA       GLN  22 -17.332   4.149   6.160
  175   1HB   GLN  22          2HB       GLN  22 -14.968   2.453   5.293
  176   2HB   GLN  22          1HB       GLN  22 -15.661   3.753   4.323
  177   1HG   GLN  22          2HG       GLN  22 -15.212   5.346   6.174
  178   2HG   GLN  22          1HG       GLN  22 -14.465   4.042   7.096
  179   1HE2  GLN  22          1HE2      GLN  22 -12.813   6.178   6.539
  180   2HE2  GLN  22          2HE2      GLN  22 -11.705   5.784   5.315
  181    H    GLU  23           HN       GLU  23 -18.048   3.607   3.806
  182    HA   GLU  23           HA       GLU  23 -20.108   1.778   3.678
  183   1HB   GLU  23          2HB       GLU  23 -18.251   3.079   1.776
  184   2HB   GLU  23          1HB       GLU  23 -19.107   1.678   1.133
  185   1HG   GLU  23          2HG       GLU  23 -21.170   2.890   2.354
  186   2HG   GLU  23          1HG       GLU  23 -20.179   4.312   2.028
  187    HA   PRO  24           HA       PRO  24 -18.205  -2.208   4.095
  188   1HB   PRO  24          2HB       PRO  24 -20.417  -3.416   2.706
  189   2HB   PRO  24          1HB       PRO  24 -20.118  -3.372   4.445
  190   1HG   PRO  24          2HG       PRO  24 -22.118  -1.940   2.972
  191   2HG   PRO  24          1HG       PRO  24 -21.800  -1.877   4.707
  192   1HD   PRO  24          2HD       PRO  24 -21.243   0.151   2.718
  193   2HD   PRO  24          1HD       PRO  24 -20.964   0.230   4.473
  194    H    GLN  25           HN       GLN  25 -16.908  -0.959   2.118
  195    HA   GLN  25           HA       GLN  25 -17.139  -2.786  -0.251
  196   1HB   GLN  25          2HB       GLN  25 -16.484   0.175  -0.100
  197   2HB   GLN  25          1HB       GLN  25 -16.432  -0.786  -1.579
  198   1HG   GLN  25          2HG       GLN  25 -18.824  -1.315  -1.333
  199   2HG   GLN  25          1HG       GLN  25 -18.883  -0.389   0.166
  200   1HE2  GLN  25          1HE2      GLN  25 -20.569   0.406  -1.930
  201   2HE2  GLN  25          2HE2      GLN  25 -20.007   1.862  -2.598
  202    H    GLU  26           HN       GLU  26 -15.185  -3.688  -0.926
  203    HA   GLU  26           HA       GLU  26 -12.688  -2.696   0.407
  204   1HB   GLU  26          2HB       GLU  26 -14.072  -5.282   0.482
  205   2HB   GLU  26          1HB       GLU  26 -12.370  -5.428   0.043
  206   1HG   GLU  26          2HG       GLU  26 -12.240  -5.479   2.370
  207   2HG   GLU  26          1HG       GLU  26 -12.022  -3.758   2.057
  208    HA   PRO  27           HA       PRO  27 -12.343  -2.924  -4.267
  209   1HB   PRO  27          2HB       PRO  27 -10.846  -0.478  -4.051
  210   2HB   PRO  27          1HB       PRO  27 -12.430  -0.720  -4.790
  211   1HG   PRO  27          2HG       PRO  27 -11.823   0.624  -2.327
  212   2HG   PRO  27          1HG       PRO  27 -13.408   0.370  -3.060
  213   1HD   PRO  27          2HD       PRO  27 -12.312  -0.910  -0.711
  214   2HD   PRO  27          1HD       PRO  27 -13.917  -1.153  -1.441
  215    H    ARG  28           HN       ARG  28 -10.431  -3.648  -5.304
  216    HA   ARG  28           HA       ARG  28  -8.023  -3.896  -3.537
  217   1HB   ARG  28          2HB       ARG  28  -9.259  -5.956  -4.272
  218   2HB   ARG  28          1HB       ARG  28  -8.882  -5.535  -5.943
  219   1HG   ARG  28          2HG       ARG  28  -6.464  -5.608  -5.403
  220   2HG   ARG  28          1HG       ARG  28  -6.857  -6.062  -3.745
  221   1HD   ARG  28          2HD       ARG  28  -8.026  -8.097  -4.617
  222   2HD   ARG  28          1HD       ARG  28  -7.493  -7.660  -6.252
  223    HE   ARG  28           HE       ARG  28  -5.748  -8.586  -4.049
  224   1HH1  ARG  28          1HH1      ARG  28  -5.980  -6.793  -6.974
  225   2HH1  ARG  28          2HH1      ARG  28  -4.409  -7.250  -7.539
  226   1HH2  ARG  28          1HH2      ARG  28  -3.751  -9.329  -4.844
  227   2HH2  ARG  28          2HH2      ARG  28  -3.147  -8.686  -6.334
  228    H    VAL  29           HN       VAL  29  -6.217  -2.793  -4.189
  229    HA   VAL  29           HA       VAL  29  -5.910  -2.120  -7.088
  230    HB   VAL  29           HB       VAL  29  -6.936  -0.248  -5.770
  231   1HG1  VAL  29          1HG1      VAL  29  -5.065  -1.071  -3.846
  232   2HG1  VAL  29          3HG1      VAL  29  -4.485   0.499  -4.402
  233   3HG1  VAL  29          2HG1      VAL  29  -6.117   0.342  -3.753
  234   1HG2  VAL  29          1HG2      VAL  29  -4.313  -0.103  -7.165
  235   2HG2  VAL  29          3HG2      VAL  29  -5.835   0.700  -7.548
  236   3HG2  VAL  29          2HG2      VAL  29  -4.803   1.334  -6.266
  237    H    GLY  30           HN       GLY  30  -3.743  -2.137  -7.782
  238   1HA   GLY  30          1HA       GLY  30  -1.428  -2.530  -7.683
  239   2HA   GLY  30          2HA       GLY  30  -1.842  -3.701  -6.431
  240    H    LYS  31           HN       LYS  31  -2.558  -0.279  -6.089
  241    HA   LYS  31           HA       LYS  31  -0.162   0.453  -4.651
  242   1HB   LYS  31          2HB       LYS  31  -1.759   1.989  -5.816
  243   2HB   LYS  31          1HB       LYS  31  -2.962   1.626  -4.578
  244   1HG   LYS  31          2HG       LYS  31  -1.356   2.453  -2.845
  245   2HG   LYS  31          1HG       LYS  31  -0.253   2.921  -4.139
  246   1HD   LYS  31          2HD       LYS  31  -2.098   4.346  -5.094
  247   2HD   LYS  31          1HD       LYS  31  -3.050   3.985  -3.654
  248   1HE   LYS  31          2HE       LYS  31  -1.908   5.528  -2.439
  249   2HE   LYS  31          1HE       LYS  31  -0.350   4.861  -2.959
  250   1HZ   LYS  31          2HZ       LYS  31  -0.985   5.913  -5.214
  251   2HZ   LYS  31          1HZ       LYS  31  -2.053   6.867  -4.300
  252   3HZ   LYS  31          3HZ       LYS  31  -0.387   6.927  -3.988
  253    H    LEU  32           HN       LEU  32  -3.090  -1.207  -3.756
  254    HA   LEU  32           HA       LEU  32  -3.804  -2.093  -1.687
  255   1HB   LEU  32          2HB       LEU  32  -0.861  -1.632  -1.101
  256   2HB   LEU  32          1HB       LEU  32  -1.927  -2.712  -0.203
  257    HG   LEU  32           HG       LEU  32  -1.189  -2.951  -3.136
  258   1HD1  LEU  32          2HD1      LEU  32   0.472  -3.631  -1.265
  259   2HD1  LEU  32          1HD1      LEU  32  -0.661  -4.940  -0.930
  260   3HD1  LEU  32          3HD1      LEU  32   0.109  -4.825  -2.512
  261   1HD2  LEU  32          1HD2      LEU  32  -3.398  -4.031  -1.546
  262   2HD2  LEU  32          3HD2      LEU  32  -3.175  -4.027  -3.296
  263   3HD2  LEU  32          2HD2      LEU  32  -2.435  -5.292  -2.315
  264    H    ARG  33           HN       ARG  33  -2.762  -1.418   0.923
  265    HA   ARG  33           HA       ARG  33  -3.606   1.456   1.109
  266   1HB   ARG  33          2HB       ARG  33  -4.120  -0.975   2.845
  267   2HB   ARG  33          1HB       ARG  33  -4.466   0.668   3.386
  268   1HG   ARG  33          2HG       ARG  33  -5.919   0.987   1.388
  269   2HG   ARG  33          1HG       ARG  33  -5.617  -0.688   0.928
  270   1HD   ARG  33          2HD       ARG  33  -6.568  -1.414   3.139
  271   2HD   ARG  33          1HD       ARG  33  -6.992   0.278   3.461
  272    HE   ARG  33           HE       ARG  33  -8.552  -1.415   1.845
  273   1HH1  ARG  33          1HH1      ARG  33  -7.616   1.813   2.200
  274   2HH1  ARG  33          2HH1      ARG  33  -8.336   2.358   0.721
  275   1HH2  ARG  33          1HH2      ARG  33  -9.161  -0.833  -0.361
  276   2HH2  ARG  33          2HH2      ARG  33  -9.210   0.860  -0.729
  277    H    ASN  34           HN       ASN  34  -2.136   2.799   2.096
  278    HA   ASN  34           HA       ASN  34  -0.109   1.619   3.945
  279   1HB   ASN  34          2HB       ASN  34   0.663   1.778   1.508
  280   2HB   ASN  34          1HB       ASN  34   0.570   3.529   1.693
  281   1HD2  ASN  34          1HD2      ASN  34   3.021   3.361   1.306
  282   2HD2  ASN  34          2HD2      ASN  34   4.012   3.043   2.647
  283    H    PHE  35           HN       PHE  35  -0.569   2.777   5.798
  284    HA   PHE  35           HA       PHE  35  -0.843   5.756   5.535
  285   1HB   PHE  35          2HB       PHE  35  -2.950   4.549   6.087
  286   2HB   PHE  35          1HB       PHE  35  -2.163   3.858   7.505
  287    HD1  PHE  35           HD1      PHE  35  -3.374   6.992   5.944
  288    HD2  PHE  35           HD2      PHE  35  -1.757   5.175   9.485
  289    HE1  PHE  35           HE1      PHE  35  -3.925   9.032   7.242
  290    HE2  PHE  35           HE2      PHE  35  -2.308   7.215  10.783
  291    HZ   PHE  35           HZ       PHE  35  -3.391   9.144   9.662
  292    H    ALA  36           HN       ALA  36  -0.137   6.917   7.550
  293    HA   ALA  36           HA       ALA  36   2.471   6.177   8.404
  294   1HB   ALA  36          3HB       ALA  36   0.965   7.818  10.293
  295   2HB   ALA  36          2HB       ALA  36   2.333   8.266   9.274
  296   3HB   ALA  36          1HB       ALA  36   0.693   8.319   8.624
  297    HA   PRO  37           HA       PRO  37   1.241   2.959  11.274
  298   1HB   PRO  37          2HB       PRO  37   3.987   2.810  12.119
  299   2HB   PRO  37          1HB       PRO  37   3.120   1.709  11.044
  300   1HG   PRO  37          2HG       PRO  37   5.187   3.536  10.336
  301   2HG   PRO  37          1HG       PRO  37   4.224   2.537   9.243
  302   1HD   PRO  37          2HD       PRO  37   4.068   5.424   9.698
  303   2HD   PRO  37          1HD       PRO  37   3.272   4.450   8.438
  304    H    ILE  38           HN       ILE  38   0.145   4.515  12.699
  305    HA   ILE  38           HA       ILE  38   1.871   5.464  14.964
  306    HB   ILE  38           HB       ILE  38  -0.178   7.131  15.143
  307   1HG1  ILE  38          2HG1      ILE  38  -1.222   7.631  13.021
  308   2HG1  ILE  38          1HG1      ILE  38  -0.211   6.450  12.193
  309   1HG2  ILE  38          2HG2      ILE  38   1.981   7.284  13.020
  310   2HG2  ILE  38          1HG2      ILE  38   1.020   8.659  13.566
  311   3HG2  ILE  38          3HG2      ILE  38   2.105   7.840  14.689
  312   1HD1  ILE  38          3HD1      ILE  38  -1.250   4.640  13.543
  313   2HD1  ILE  38          2HD1      ILE  38  -2.289   5.837  14.316
  314   3HD1  ILE  38          1HD1      ILE  38  -2.446   5.517  12.589
  315    HA   PRO  39           HA       PRO  39  -1.272   2.260  16.369
  316   1HB   PRO  39          2HB       PRO  39   0.823   1.298  18.090
  317   2HB   PRO  39          1HB       PRO  39   0.087   0.479  16.709
  318   1HG   PRO  39          2HG       PRO  39   2.716   1.637  16.891
  319   2HG   PRO  39          1HG       PRO  39   1.992   0.790  15.522
  320   1HD   PRO  39          2HD       PRO  39   2.539   3.607  15.753
  321   2HD   PRO  39          1HD       PRO  39   1.762   2.757  14.397
  322    H    GLY  40           HN       GLY  40  -2.395   2.460  18.351
  323   1HA   GLY  40          1HA       GLY  40  -1.769   4.805  19.965
  324   2HA   GLY  40          2HA       GLY  40  -1.525   3.292  20.834
  325    H    GLU  41           HN       GLU  41  -3.672   1.847  19.568
  326    HA   GLU  41           HA       GLU  41  -6.032   3.326  20.690
  327   1HB   GLU  41          2HB       GLU  41  -5.671   1.573  18.254
  328   2HB   GLU  41          1HB       GLU  41  -7.268   1.907  18.924
  329   1HG   GLU  41          2HG       GLU  41  -5.794   4.369  18.733
  330   2HG   GLU  41          1HG       GLU  41  -5.747   3.547  17.173
  331    HA   PRO  42           HA       PRO  42  -5.216  -0.682  22.985
  332   1HB   PRO  42          2HB       PRO  42  -6.027   0.765  25.336
  333   2HB   PRO  42          1HB       PRO  42  -4.425   0.133  24.946
  334   1HG   PRO  42          2HG       PRO  42  -5.282   2.875  24.975
  335   2HG   PRO  42          1HG       PRO  42  -3.681   2.243  24.582
  336   1HD   PRO  42          2HD       PRO  42  -5.632   3.378  22.779
  337   2HD   PRO  42          1HD       PRO  42  -4.017   2.745  22.383
  338    H    VAL  43           HN       VAL  43  -7.288  -1.036  21.622
  339    HA   VAL  43           HA       VAL  43  -9.720  -0.756  23.360
  340    HB   VAL  43           HB       VAL  43  -9.368  -0.748  20.347
  341   1HG1  VAL  43          3HG1      VAL  43 -11.883  -0.534  22.029
  342   2HG1  VAL  43          2HG1      VAL  43 -11.803  -0.336  20.279
  343   3HG1  VAL  43          1HG1      VAL  43 -11.444  -1.901  21.005
  344   1HG2  VAL  43          2HG2      VAL  43  -9.757   1.327  22.453
  345   2HG2  VAL  43          1HG2      VAL  43  -8.862   1.419  20.936
  346   3HG2  VAL  43          3HG2      VAL  43 -10.620   1.555  20.932
  347    H    VAL  44           HN       VAL  44 -10.579  -2.690  23.992
  348    HA   VAL  44           HA       VAL  44 -11.073  -4.957  22.430
  349    HB   VAL  44           HB       VAL  44  -8.260  -4.595  23.211
  350   1HG1  VAL  44          3HG1      VAL  44  -9.602  -7.280  23.670
  351   2HG1  VAL  44          2HG1      VAL  44  -7.863  -6.988  23.693
  352   3HG1  VAL  44          1HG1      VAL  44  -8.894  -6.261  24.923
  353   1HG2  VAL  44          2HG2      VAL  44  -9.815  -5.445  20.999
  354   2HG2  VAL  44          1HG2      VAL  44  -8.061  -5.279  21.075
  355   3HG2  VAL  44          3HG2      VAL  44  -8.819  -6.821  21.469
  356    HA   PRO  45           HA       PRO  45 -10.816  -6.303  27.102
  357   1HB   PRO  45          2HB       PRO  45 -10.273  -3.904  28.597
  358   2HB   PRO  45          1HB       PRO  45  -9.301  -5.374  28.507
  359   1HG   PRO  45          2HG       PRO  45  -8.735  -2.810  27.343
  360   2HG   PRO  45          1HG       PRO  45  -7.762  -4.280  27.254
  361   1HD   PRO  45          2HD       PRO  45  -9.301  -3.047  25.152
  362   2HD   PRO  45          1HD       PRO  45  -8.328  -4.533  25.061
  363    H    ILE  46           HN       ILE  46 -11.742  -2.904  26.471
  364    HA   ILE  46           HA       ILE  46 -14.023  -2.782  28.166
  365    HB   ILE  46           HB       ILE  46 -13.484  -1.486  25.470
  366   1HG1  ILE  46          2HG1      ILE  46 -12.859  -0.519  28.278
  367   2HG1  ILE  46          1HG1      ILE  46 -11.671  -1.181  27.156
  368   1HG2  ILE  46          3HG2      ILE  46 -15.798  -1.416  27.022
  369   2HG2  ILE  46          2HG2      ILE  46 -14.939   0.054  27.482
  370   3HG2  ILE  46          1HG2      ILE  46 -15.343  -0.240  25.789
  371   1HD1  ILE  46          1HD1      ILE  46 -12.533   0.639  25.512
  372   2HD1  ILE  46          3HD1      ILE  46 -13.226   1.394  26.947
  373   3HD1  ILE  46          2HD1      ILE  46 -11.483   1.148  26.835
  374    H    LEU  47           HN       LEU  47 -14.096  -3.181  24.605
  375    HA   LEU  47           HA       LEU  47 -15.590  -5.523  24.366
  376   1HB   LEU  47          2HB       LEU  47 -17.047  -3.317  25.591
  377   2HB   LEU  47          1HB       LEU  47 -17.856  -3.886  24.131
  378    HG   LEU  47           HG       LEU  47 -16.843  -5.839  26.193
  379   1HD1  LEU  47          1HD1      LEU  47 -18.863  -3.864  26.619
  380   2HD1  LEU  47          3HD1      LEU  47 -19.662  -5.428  26.456
  381   3HD1  LEU  47          2HD1      LEU  47 -18.410  -5.200  27.677
  382   1HD2  LEU  47          3HD2      LEU  47 -17.601  -6.511  23.853
  383   2HD2  LEU  47          2HD2      LEU  47 -18.436  -7.315  25.182
  384   3HD2  LEU  47          1HD2      LEU  47 -19.219  -5.988  24.324
  385    H    CYS  48           HN       CYS  48 -13.977  -4.857  22.532
  386    HA   CYS  48           HA       CYS  48 -13.576  -3.941  20.361
  387   1HB   CYS  48          2HB       CYS  48 -16.378  -5.103  20.249
  388   2HB   CYS  48          1HB       CYS  48 -15.317  -4.869  18.859
  389    H    SER  49           HN       SER  49 -13.537  -1.652  20.599
  390    HA   SER  49           HA       SER  49 -15.666   0.100  21.086
  391   1HB   SER  49          2HB       SER  49 -13.190   0.322  19.363
  392   2HB   SER  49          1HB       SER  49 -14.220   1.705  19.733
  393    HG   SER  49           HG       SER  49 -13.913   0.890  22.017
  394    H    ASN  50           HN       ASN  50 -14.396  -0.574  17.801
  395    HA   ASN  50           HA       ASN  50 -16.821   0.485  16.570
  396   1HB   ASN  50          2HB       ASN  50 -14.120  -0.398  15.849
  397   2HB   ASN  50          1HB       ASN  50 -15.327  -0.825  14.637
  398   1HD2  ASN  50          1HD2      ASN  50 -13.245   1.251  14.340
  399   2HD2  ASN  50          2HD2      ASN  50 -14.059   2.724  14.121
  400    HA   PRO  51           HA       PRO  51 -18.859  -3.520  16.975
  401   1HB   PRO  51          2HB       PRO  51 -21.053  -2.372  15.511
  402   2HB   PRO  51          1HB       PRO  51 -20.958  -2.706  17.242
  403   1HG   PRO  51          2HG       PRO  51 -20.926  -0.152  15.948
  404   2HG   PRO  51          1HG       PRO  51 -20.781  -0.489  17.674
  405   1HD   PRO  51          2HD       PRO  51 -18.715   0.402  15.844
  406   2HD   PRO  51          1HD       PRO  51 -18.592   0.138  17.598
  407    H    ASN  52           HN       ASN  52 -17.546  -1.966  14.324
  408    HA   ASN  52           HA       ASN  52 -18.302  -4.228  12.516
  409   1HB   ASN  52          2HB       ASN  52 -18.094  -1.265  11.891
  410   2HB   ASN  52          1HB       ASN  52 -18.390  -2.526  10.694
  411   1HD2  ASN  52          1HD2      ASN  52 -20.220  -4.174  12.053
  412   2HD2  ASN  52          2HD2      ASN  52 -21.639  -3.302  12.379
  413    H    PHE  53           HN       PHE  53 -15.858  -3.751  14.187
  414    HA   PHE  53           HA       PHE  53 -13.731  -2.918  12.354
  415   1HB   PHE  53          2HB       PHE  53 -12.333  -3.310  14.226
  416   2HB   PHE  53          1HB       PHE  53 -13.871  -2.868  14.964
  417    HD1  PHE  53           HD1      PHE  53 -15.479  -4.768  15.630
  418    HD2  PHE  53           HD2      PHE  53 -11.331  -5.403  14.702
  419    HE1  PHE  53           HE1      PHE  53 -15.543  -6.940  16.819
  420    HE2  PHE  53           HE2      PHE  53 -11.396  -7.580  15.896
  421    HZ   PHE  53           HZ       PHE  53 -13.505  -8.342  16.953
  422    HA   PRO  54           HA       PRO  54 -12.535  -6.693  10.441
  423   1HB   PRO  54          2HB       PRO  54 -10.263  -7.420  12.065
  424   2HB   PRO  54          1HB       PRO  54 -10.265  -6.706  10.455
  425   1HG   PRO  54          2HG       PRO  54  -9.614  -5.451  12.967
  426   2HG   PRO  54          1HG       PRO  54  -9.569  -4.741  11.351
  427   1HD   PRO  54          2HD       PRO  54 -11.424  -4.163  13.441
  428   2HD   PRO  54          1HD       PRO  54 -11.466  -3.548  11.775
  429    H    GLU  55           HN       GLU  55 -14.560  -7.479  11.602
  430    HA   GLU  55           HA       GLU  55 -14.755  -8.851  13.996
  431   1HB   GLU  55          2HB       GLU  55 -16.548  -8.428  12.326
  432   2HB   GLU  55          1HB       GLU  55 -15.871  -9.702  11.305
  433   1HG   GLU  55          2HG       GLU  55 -16.185 -11.320  13.183
  434   2HG   GLU  55          1HG       GLU  55 -16.962 -10.041  14.118
  435    H    GLU  56           HN       GLU  56 -13.208  -9.989  11.010
  436    HA   GLU  56           HA       GLU  56 -12.846 -12.726  11.647
  437   1HB   GLU  56          2HB       GLU  56 -11.051 -10.708  10.253
  438   2HB   GLU  56          1HB       GLU  56 -10.817 -12.453  10.174
  439   1HG   GLU  56          2HG       GLU  56 -13.141 -12.667   9.256
  440   2HG   GLU  56          1HG       GLU  56 -13.245 -10.907   9.217
  441    H    LEU  57           HN       LEU  57 -11.577  -9.882  13.086
  442    HA   LEU  57           HA       LEU  57  -9.386 -11.314  14.504
  443   1HB   LEU  57          2HB       LEU  57 -10.261  -8.432  14.173
  444   2HB   LEU  57          1HB       LEU  57  -8.971  -8.902  15.283
  445    HG   LEU  57           HG       LEU  57  -7.822 -10.028  13.368
  446   1HD1  LEU  57          1HD1      LEU  57 -10.300  -9.142  12.025
  447   2HD1  LEU  57          3HD1      LEU  57  -8.815  -8.877  11.113
  448   3HD1  LEU  57          2HD1      LEU  57  -9.241 -10.500  11.653
  449   1HD2  LEU  57          1HD2      LEU  57  -8.443  -7.073  13.148
  450   2HD2  LEU  57          3HD2      LEU  57  -7.075  -7.818  13.975
  451   3HD2  LEU  57          2HD2      LEU  57  -7.173  -7.866  12.215
  452    H    LYS  58           HN       LYS  58 -12.568 -11.142  14.847
  453    HA   LYS  58           HA       LYS  58 -13.347 -10.095  17.279
  454   1HB   LYS  58          2HB       LYS  58 -14.968 -11.212  15.998
  455   2HB   LYS  58          1HB       LYS  58 -13.967 -12.649  15.812
  456   1HG   LYS  58          2HG       LYS  58 -15.891 -12.930  17.424
  457   2HG   LYS  58          1HG       LYS  58 -14.308 -13.265  18.127
  458   1HD   LYS  58          2HD       LYS  58 -14.748 -11.722  19.710
  459   2HD   LYS  58          1HD       LYS  58 -14.733 -10.489  18.449
  460   1HE   LYS  58          2HE       LYS  58 -17.237 -11.674  18.149
  461   2HE   LYS  58          1HE       LYS  58 -17.012 -11.609  19.906
  462   1HZ   LYS  58          3HZ       LYS  58 -16.432  -9.341  18.072
  463   2HZ   LYS  58          2HZ       LYS  58 -17.899  -9.512  18.912
  464   3HZ   LYS  58          1HZ       LYS  58 -16.445  -9.306  19.767
  465    HA   PRO  59           HA       PRO  59 -11.592 -14.128  19.452
  466   1HB   PRO  59          2HB       PRO  59  -9.236 -14.757  17.917
  467   2HB   PRO  59          1HB       PRO  59 -10.639 -15.782  18.228
  468   1HG   PRO  59          2HG       PRO  59  -9.916 -14.407  15.779
  469   2HG   PRO  59          1HG       PRO  59 -11.229 -15.556  16.049
  470   1HD   PRO  59          2HD       PRO  59 -11.488 -12.767  15.602
  471   2HD   PRO  59          1HD       PRO  59 -12.774 -13.873  16.131
  472    H    LEU  60           HN       LEU  60  -9.367 -11.986  17.603
  473    HA   LEU  60           HA       LEU  60  -7.356 -11.685  19.566
  474   1HB   LEU  60          2HB       LEU  60  -8.529  -9.972  17.382
  475   2HB   LEU  60          1HB       LEU  60  -7.256  -9.325  18.415
  476    HG   LEU  60           HG       LEU  60  -5.795 -11.210  17.817
  477   1HD1  LEU  60          3HD1      LEU  60  -8.171 -12.052  16.131
  478   2HD1  LEU  60          2HD1      LEU  60  -6.556 -12.742  15.972
  479   3HD1  LEU  60          1HD1      LEU  60  -7.457 -12.946  17.474
  480   1HD2  LEU  60          1HD2      LEU  60  -6.342  -9.060  16.278
  481   2HD2  LEU  60          3HD2      LEU  60  -5.153 -10.278  15.818
  482   3HD2  LEU  60          2HD2      LEU  60  -6.782 -10.340  15.148
  483    H    CYS  61           HN       CYS  61 -10.460  -9.989  19.159
  484    HA   CYS  61           HA       CYS  61 -10.124  -8.091  21.280
  485   1HB   CYS  61          2HB       CYS  61 -11.804  -8.074  19.407
  486   2HB   CYS  61          1HB       CYS  61 -12.652  -9.391  20.215
  487    H    LYS  62           HN       LYS  62 -11.017 -11.487  21.253
  488    HA   LYS  62           HA       LYS  62 -12.046 -11.428  24.017
  489   1HB   LYS  62          2HB       LYS  62 -11.522 -13.613  21.978
  490   2HB   LYS  62          1HB       LYS  62 -12.294 -13.884  23.541
  491   1HG   LYS  62          2HG       LYS  62 -14.041 -12.208  22.921
  492   2HG   LYS  62          1HG       LYS  62 -13.298 -12.068  21.328
  493   1HD   LYS  62          2HD       LYS  62 -13.647 -14.518  20.994
  494   2HD   LYS  62          1HD       LYS  62 -14.482 -14.581  22.546
  495   1HE   LYS  62          2HE       LYS  62 -15.704 -12.455  21.169
  496   2HE   LYS  62          1HE       LYS  62 -15.512 -13.739  19.961
  497   1HZ   LYS  62          1HZ       LYS  62 -16.611 -14.100  22.705
  498   2HZ   LYS  62          3HZ       LYS  62 -17.540 -14.038  21.287
  499   3HZ   LYS  62          2HZ       LYS  62 -16.447 -15.316  21.530
  500    H    GLU  63           HN       GLU  63  -8.969 -11.522  22.627
  501    HA   GLU  63           HA       GLU  63  -7.871 -13.108  24.924
  502   1HB   GLU  63          2HB       GLU  63  -5.906 -13.382  23.392
  503   2HB   GLU  63          1HB       GLU  63  -7.399 -14.031  22.716
  504   1HG   GLU  63          2HG       GLU  63  -7.708 -12.067  21.341
  505   2HG   GLU  63          1HG       GLU  63  -6.363 -11.243  22.133
  506    HA   PRO  64           HA       PRO  64  -6.109  -9.435  26.583
  507   1HB   PRO  64          2HB       PRO  64  -3.767 -10.841  27.486
  508   2HB   PRO  64          1HB       PRO  64  -5.186 -10.374  28.426
  509   1HG   PRO  64          2HG       PRO  64  -4.421 -13.008  27.608
  510   2HG   PRO  64          1HG       PRO  64  -5.871 -12.533  28.498
  511   1HD   PRO  64          2HD       PRO  64  -5.662 -13.402  25.735
  512   2HD   PRO  64          1HD       PRO  64  -7.131 -13.013  26.660
  513    H    ASN  65           HN       ASN  65  -4.433 -11.411  24.259
  514    HA   ASN  65           HA       ASN  65  -2.118  -9.651  23.956
  515   1HB   ASN  65          2HB       ASN  65  -3.293 -11.874  22.257
  516   2HB   ASN  65          1HB       ASN  65  -1.699 -11.160  22.016
  517   1HD2  ASN  65          1HD2      ASN  65  -1.907 -13.924  22.611
  518   2HD2  ASN  65          2HD2      ASN  65  -1.309 -14.203  24.175
  519    H    ALA  66           HN       ALA  66  -5.372  -9.576  22.846
  520    HA   ALA  66           HA       ALA  66  -5.302  -8.516  20.277
  521   1HB   ALA  66          3HB       ALA  66  -7.078  -8.709  22.437
  522   2HB   ALA  66          1HB       ALA  66  -7.476  -8.167  20.806
  523   3HB   ALA  66          2HB       ALA  66  -7.040  -6.990  22.044
  524    H    GLN  67           HN       GLN  67  -4.628  -6.804  23.333
  525    HA   GLN  67           HA       GLN  67  -4.382  -4.167  22.328
  526   1HB   GLN  67          2HB       GLN  67  -2.949  -5.667  24.542
  527   2HB   GLN  67          1HB       GLN  67  -2.880  -3.915  24.346
  528   1HG   GLN  67          2HG       GLN  67  -5.335  -3.792  24.548
  529   2HG   GLN  67          1HG       GLN  67  -5.412  -5.545  24.727
  530   1HE2  GLN  67          1HE2      GLN  67  -6.178  -3.423  26.725
  531   2HE2  GLN  67          2HE2      GLN  67  -5.239  -3.744  28.103
  532    H    GLU  68           HN       GLU  68  -1.969  -6.796  22.480
  533    HA   GLU  68           HA       GLU  68   0.143  -5.139  21.304
  534   1HB   GLU  68          2HB       GLU  68  -0.159  -8.111  21.852
  535   2HB   GLU  68          1HB       GLU  68   1.344  -7.338  21.345
  536   1HG   GLU  68          2HG       GLU  68   1.266  -5.889  23.351
  537   2HG   GLU  68          1HG       GLU  68  -0.220  -6.689  23.862
  538    H    ILE  69           HN       ILE  69  -2.174  -7.583  20.190
  539    HA   ILE  69           HA       ILE  69  -1.047  -7.859  17.530
  540    HB   ILE  69           HB       ILE  69  -3.809  -8.413  18.668
  541   1HG1  ILE  69          2HG1      ILE  69  -1.429 -10.250  18.275
  542   2HG1  ILE  69          1HG1      ILE  69  -1.932  -9.576  19.825
  543   1HG2  ILE  69          1HG2      ILE  69  -2.565  -8.822  16.012
  544   2HG2  ILE  69          3HG2      ILE  69  -3.410 -10.224  16.670
  545   3HG2  ILE  69          2HG2      ILE  69  -4.269  -8.700  16.449
  546   1HD1  ILE  69          1HD1      ILE  69  -4.217 -10.629  19.392
  547   2HD1  ILE  69          3HD1      ILE  69  -3.461 -11.500  18.057
  548   3HD1  ILE  69          2HD1      ILE  69  -2.903 -11.761  19.710
  549    H    LEU  70           HN       LEU  70  -3.997  -6.204  18.734
  550    HA   LEU  70           HA       LEU  70  -4.914  -4.974  16.431
  551   1HB   LEU  70          2HB       LEU  70  -6.037  -4.766  18.547
  552   2HB   LEU  70          1HB       LEU  70  -4.645  -3.972  19.277
  553    HG   LEU  70           HG       LEU  70  -6.747  -2.577  18.397
  554   1HD1  LEU  70          1HD1      LEU  70  -4.483  -1.840  19.416
  555   2HD1  LEU  70          3HD1      LEU  70  -3.988  -1.548  17.748
  556   3HD1  LEU  70          2HD1      LEU  70  -5.359  -0.670  18.428
  557   1HD2  LEU  70          1HD2      LEU  70  -6.142  -3.638  16.040
  558   2HD2  LEU  70          3HD2      LEU  70  -6.707  -1.971  16.162
  559   3HD2  LEU  70          2HD2      LEU  70  -4.985  -2.308  15.994
  560    H    GLN  71           HN       GLN  71  -2.593  -3.383  18.677
  561    HA   GLN  71           HA       GLN  71  -1.933  -1.172  17.077
  562   1HB   GLN  71          2HB       GLN  71  -0.236  -2.863  18.940
  563   2HB   GLN  71          1HB       GLN  71   0.221  -1.256  18.374
  564   1HG   GLN  71          2HG       GLN  71  -1.824  -0.315  19.381
  565   2HG   GLN  71          1HG       GLN  71  -2.292  -1.921  19.940
  566   1HE2  GLN  71          1HE2      GLN  71  -1.889   0.138  21.842
  567   2HE2  GLN  71          2HE2      GLN  71  -0.482  -0.193  22.732
  568    H    ARG  72           HN       ARG  72  -0.203  -4.311  17.189
  569    HA   ARG  72           HA       ARG  72   1.682  -3.818  15.144
  570   1HB   ARG  72          2HB       ARG  72   0.220  -6.301  16.080
  571   2HB   ARG  72          1HB       ARG  72   1.560  -6.363  14.937
  572   1HG   ARG  72          2HG       ARG  72   3.023  -5.248  16.574
  573   2HG   ARG  72          1HG       ARG  72   1.681  -5.149  17.716
  574   1HD   ARG  72          2HD       ARG  72   2.900  -7.096  18.380
  575   2HD   ARG  72          1HD       ARG  72   1.532  -7.733  17.449
  576    HE   ARG  72           HE       ARG  72   3.487  -7.251  15.533
  577   1HH1  ARG  72          1HH1      ARG  72   2.585  -9.629  17.719
  578   2HH1  ARG  72          2HH1      ARG  72   4.047 -10.550  17.593
  579   1HH2  ARG  72          1HH2      ARG  72   5.699  -8.166  15.692
  580   2HH2  ARG  72          2HH2      ARG  72   5.809  -9.722  16.445
  581    H    LEU  73           HN       LEU  73  -1.463  -5.517  14.803
  582    HA   LEU  73           HA       LEU  73  -1.544  -5.876  12.044
  583   1HB   LEU  73          2HB       LEU  73  -3.708  -5.035  13.996
  584   2HB   LEU  73          1HB       LEU  73  -4.035  -5.658  12.380
  585    HG   LEU  73           HG       LEU  73  -2.588  -7.110  14.615
  586   1HD1  LEU  73          1HD1      LEU  73  -5.232  -7.603  13.211
  587   2HD1  LEU  73          3HD1      LEU  73  -4.510  -8.674  14.412
  588   3HD1  LEU  73          2HD1      LEU  73  -5.028  -7.052  14.874
  589   1HD2  LEU  73          1HD2      LEU  73  -2.795  -7.578  11.682
  590   2HD2  LEU  73          3HD2      LEU  73  -1.505  -8.017  12.800
  591   3HD2  LEU  73          2HD2      LEU  73  -2.976  -8.988  12.727
  592    H    GLU  74           HN       GLU  74  -2.691  -2.974  13.809
  593    HA   GLU  74           HA       GLU  74  -3.441  -1.416  11.574
  594   1HB   GLU  74          2HB       GLU  74  -2.197  -0.581  14.214
  595   2HB   GLU  74          1HB       GLU  74  -3.149   0.461  13.156
  596   1HG   GLU  74          2HG       GLU  74  -4.180  -2.117  14.369
  597   2HG   GLU  74          1HG       GLU  74  -4.475  -0.520  15.053
  598    H    GLU  75           HN       GLU  75  -0.230  -1.818  13.100
  599    HA   GLU  75           HA       GLU  75   1.093   0.197  11.507
  600   1HB   GLU  75          2HB       GLU  75   1.830  -0.739  13.710
  601   2HB   GLU  75          1HB       GLU  75   2.176  -2.269  12.906
  602   1HG   GLU  75          2HG       GLU  75   3.746  -1.051  11.379
  603   2HG   GLU  75          1HG       GLU  75   3.473   0.411  12.327
  604    H    ILE  76           HN       ILE  76   1.154  -3.390  11.319
  605    HA   ILE  76           HA       ILE  76   2.613  -3.501   8.847
  606    HB   ILE  76           HB       ILE  76   0.670  -5.420  10.174
  607   1HG1  ILE  76          2HG1      ILE  76   3.692  -5.171  10.297
  608   2HG1  ILE  76          1HG1      ILE  76   2.569  -4.787  11.602
  609   1HG2  ILE  76          1HG2      ILE  76   2.700  -5.784   7.955
  610   2HG2  ILE  76          3HG2      ILE  76   2.022  -7.131   8.868
  611   3HG2  ILE  76          2HG2      ILE  76   0.968  -6.112   7.890
  612   1HD1  ILE  76          3HD1      ILE  76   1.741  -7.269  11.175
  613   2HD1  ILE  76          2HD1      ILE  76   3.360  -7.459  10.501
  614   3HD1  ILE  76          1HD1      ILE  76   3.157  -6.959  12.179
  615    H    ALA  77           HN       ALA  77  -0.809  -3.198   9.623
  616    HA   ALA  77           HA       ALA  77  -1.857  -3.800   7.009
  617   1HB   ALA  77          1HB       ALA  77  -3.155  -3.779   9.114
  618   2HB   ALA  77          3HB       ALA  77  -2.890  -2.042   9.259
  619   3HB   ALA  77          2HB       ALA  77  -3.865  -2.678   7.934
  620    H    GLU  78           HN       GLU  78  -0.654  -0.861   8.554
  621    HA   GLU  78           HA       GLU  78  -1.314   0.776   6.167
  622   1HB   GLU  78          2HB       GLU  78  -0.035   1.406   8.844
  623   2HB   GLU  78          1HB       GLU  78  -0.542   2.604   7.655
  624   1HG   GLU  78          2HG       GLU  78  -2.871   1.794   7.833
  625   2HG   GLU  78          1HG       GLU  78  -2.361   0.601   9.028
  626    H    ASP  79           HN       ASP  79   0.928  -1.408   6.555
  627    HA   ASP  79           HA       ASP  79   2.894  -0.097   4.863
  628   1HB   ASP  79          2HB       ASP  79   3.147   0.646   7.401
  629   2HB   ASP  79          1HB       ASP  79   3.968  -0.910   7.540
  630    HA   PRO  80           HA       PRO  80   3.162  -4.451   3.929
  631   1HB   PRO  80          2HB       PRO  80   5.498  -3.897   2.344
  632   2HB   PRO  80          1HB       PRO  80   3.852  -4.201   1.785
  633   1HG   PRO  80          2HG       PRO  80   5.284  -1.713   1.779
  634   2HG   PRO  80          1HG       PRO  80   3.634  -2.013   1.230
  635   1HD   PRO  80          2HD       PRO  80   4.486  -0.598   3.601
  636   2HD   PRO  80          1HD       PRO  80   2.824  -0.889   3.039
  637    H    GLY  81           HN       GLY  81   6.492  -3.167   3.835
  638   1HA   GLY  81          1HA       GLY  81   7.191  -4.384   6.398
  639   2HA   GLY  81          2HA       GLY  81   8.311  -3.600   5.283
  640    H    THR  82           HN       THR  82   8.297  -6.333   6.690
  641    HA   THR  82           HA       THR  82   9.397  -7.836   4.433
  642    HB   THR  82           HB       THR  82   9.918  -9.456   6.219
  643    HG1  THR  82          1HG       THR  82   8.755  -7.822   8.138
  644   1HG2  THR  82          2HG2      THR  82  10.365  -6.527   6.745
  645   2HG2  THR  82          1HG2      THR  82  11.001  -7.743   7.853
  646   3HG2  THR  82          3HG2      THR  82  11.513  -7.734   6.165
  647    H    CYS  83           HN       CYS  83   6.367  -7.668   6.136
  648    HA   CYS  83           HA       CYS  83   5.264 -10.230   5.719
  649   1HB   CYS  83          2HB       CYS  83   4.359  -8.133   6.917
  650   2HB   CYS  83          1HB       CYS  83   3.781  -7.621   5.331
  651    H    GLU  84           HN       GLU  84   5.064  -7.398   3.530
  652    HA   GLU  84           HA       GLU  84   3.709  -8.666   1.392
  653   1HB   GLU  84          2HB       GLU  84   4.111  -6.232   1.722
  654   2HB   GLU  84          1HB       GLU  84   5.811  -6.481   1.326
  655   1HG   GLU  84          2HG       GLU  84   5.110  -7.409  -0.889
  656   2HG   GLU  84          1HG       GLU  84   3.441  -7.005  -0.491
  657    H    ILE  85           HN       ILE  85   7.173  -8.671   2.209
  658    HA   ILE  85           HA       ILE  85   7.783 -10.112  -0.319
  659    HB   ILE  85           HB       ILE  85  10.084  -9.629   0.282
  660   1HG1  ILE  85          2HG1      ILE  85   8.897  -8.905   2.970
  661   2HG1  ILE  85          1HG1      ILE  85  10.087 -10.160   2.628
  662   1HG2  ILE  85          1HG2      ILE  85   8.139  -7.698  -0.137
  663   2HG2  ILE  85          3HG2      ILE  85   8.995  -7.097   1.284
  664   3HG2  ILE  85          2HG2      ILE  85   9.880  -7.426  -0.205
  665   1HD1  ILE  85          1HD1      ILE  85  11.345  -7.973   1.597
  666   2HD1  ILE  85          3HD1      ILE  85  10.450  -7.238   2.926
  667   3HD1  ILE  85          2HD1      ILE  85  11.583  -8.550   3.246
  668    H    CYS  86           HN       CYS  86   6.463 -11.101   2.428
  669    HA   CYS  86           HA       CYS  86   6.411 -13.169   3.568
  670   1HB   CYS  86          2HB       CYS  86   7.350 -13.564   0.843
  671   2HB   CYS  86          1HB       CYS  86   8.012 -14.787   1.927
  672    H    ALA  87           HN       ALA  87   8.959 -11.240   3.578
  673    HA   ALA  87           HA       ALA  87  11.200 -12.917   4.268
  674   1HB   ALA  87          3HB       ALA  87  11.745 -10.588   5.482
  675   2HB   ALA  87          1HB       ALA  87  10.377 -10.052   4.506
  676   3HB   ALA  87          2HB       ALA  87  11.798 -10.746   3.725
  677    H    TYR  88           HN       TYR  88   8.313 -12.102   5.941
  678    HA   TYR  88           HA       TYR  88   9.433 -13.285   8.451
  679   1HB   TYR  88          2HB       TYR  88   8.199 -10.625   7.928
  680   2HB   TYR  88          1HB       TYR  88   7.719 -11.434   9.420
  681    HD1  TYR  88           HD1      TYR  88  10.788 -10.617   7.423
  682    HD2  TYR  88           HD2      TYR  88   9.072 -11.230  11.312
  683    HE1  TYR  88           HE1      TYR  88  12.935  -9.958   8.474
  684    HE2  TYR  88           HE2      TYR  88  11.218 -10.571  12.363
  685    HH   TYR  88           HH       TYR  88  13.349  -8.925  11.310
  686    H    ALA  89           HN       ALA  89   7.629 -14.026   9.914
  687    HA   ALA  89           HA       ALA  89   5.649 -15.546   8.433
  688   1HB   ALA  89          2HB       ALA  89   6.803 -15.367  11.064
  689   2HB   ALA  89          1HB       ALA  89   5.047 -15.431  11.208
  690   3HB   ALA  89          3HB       ALA  89   5.909 -16.709  10.350
  691    H    ALA  90           HN       ALA  90   5.707 -12.316   9.077
  692    HA   ALA  90           HA       ALA  90   3.149 -11.729  10.207
  693   1HB   ALA  90          3HB       ALA  90   4.795 -10.201   8.164
  694   2HB   ALA  90          2HB       ALA  90   3.580  -9.512   9.242
  695   3HB   ALA  90          1HB       ALA  90   5.075 -10.172   9.906
  696    H    CYS  91           HN       CYS  91   4.178 -12.247   6.831
  697    HA   CYS  91           HA       CYS  91   1.338 -11.993   5.949
  698   1HB   CYS  91          2HB       CYS  91   4.023 -11.530   4.846
  699   2HB   CYS  91          1HB       CYS  91   2.909 -12.295   3.715
  700    H    THR  92           HN       THR  92   0.247 -13.899   5.798
  701    HA   THR  92           HA       THR  92   1.802 -16.392   5.204
  702    HB   THR  92           HB       THR  92  -0.960 -16.128   6.397
  703    HG1  THR  92          1HG       THR  92   1.358 -15.301   7.421
  704   1HG2  THR  92          3HG2      THR  92   0.849 -18.293   5.756
  705   2HG2  THR  92          2HG2      THR  92   0.501 -18.273   7.485
  706   3HG2  THR  92          1HG2      THR  92  -0.819 -18.373   6.320
  707    H    GLY  93           HN       GLY  93   0.061 -14.165   3.600
  708   1HA   GLY  93          1HA       GLY  93  -1.360 -14.190   1.711
  709   2HA   GLY  93          2HA       GLY  93  -1.854 -15.821   2.170
  710    H    CYS  94           HN       CYS  94   1.230 -14.292   1.168
  711    HA   CYS  94           HA       CYS  94   1.577 -15.373  -1.355
  712   1HB   CYS  94          2HB       CYS  94   4.046 -15.360  -0.684
  713   2HB   CYS  94          1HB       CYS  94   3.169 -13.861  -0.390

  No H/Q in entry =         713
  Start of MODEL   24
    1    H1   VAL   1          2H        VAL   1  -3.258 -12.866   0.294
    2    H2   VAL   1          1H        VAL   1  -3.023 -11.516  -0.710
    3    H3   VAL   1          3H        VAL   1  -2.123 -12.931  -0.967
    4    HA   VAL   1           HA       VAL   1  -0.851 -12.622   0.986
    5    HB   VAL   1           HB       VAL   1  -1.270  -9.869  -0.192
    6   1HG1  VAL   1          1HG1      VAL   1   0.726 -11.153   1.414
    7   2HG1  VAL   1          3HG1      VAL   1   1.435 -10.768  -0.154
    8   3HG1  VAL   1          2HG1      VAL   1   0.703  -9.493   0.821
    9   1HG2  VAL   1          1HG2      VAL   1  -0.365 -12.405  -1.513
   10   2HG2  VAL   1          3HG2      VAL   1  -1.325 -11.082  -2.176
   11   3HG2  VAL   1          2HG2      VAL   1   0.415 -10.889  -1.963
   12    H    THR   2           HN       THR   2  -1.828 -12.747   3.039
   13    HA   THR   2           HA       THR   2  -3.106 -10.220   4.038
   14    HB   THR   2           HB       THR   2  -4.664 -12.140   3.623
   15    HG1  THR   2          1HG       THR   2  -5.529 -12.101   5.765
   16   1HG2  THR   2          2HG2      THR   2  -2.674 -13.740   4.401
   17   2HG2  THR   2          1HG2      THR   2  -3.484 -13.567   5.959
   18   3HG2  THR   2          3HG2      THR   2  -4.364 -14.216   4.575
   19    H    VAL   3           HN       VAL   3  -2.749  -9.784   6.296
   20    HA   VAL   3           HA       VAL   3  -0.184 -10.901   7.326
   21    HB   VAL   3           HB       VAL   3  -1.924  -8.516   8.025
   22   1HG1  VAL   3          2HG1      VAL   3  -0.381  -9.854   9.845
   23   2HG1  VAL   3          1HG1      VAL   3   0.791  -8.717   9.178
   24   3HG1  VAL   3          3HG1      VAL   3  -0.700  -8.122   9.908
   25   1HG2  VAL   3          1HG2      VAL   3  -0.268  -8.746   5.945
   26   2HG2  VAL   3          3HG2      VAL   3  -0.375  -7.244   6.865
   27   3HG2  VAL   3          2HG2      VAL   3   0.941  -8.376   7.175
   28    H    GLN   4           HN       GLN   4  -0.310 -12.525   8.841
   29    HA   GLN   4           HA       GLN   4  -2.766 -12.628  10.562
   30   1HB   GLN   4          2HB       GLN   4  -2.801 -15.007  10.217
   31   2HB   GLN   4          1HB       GLN   4  -2.601 -14.268   8.627
   32   1HG   GLN   4          2HG       GLN   4  -0.222 -14.701   8.656
   33   2HG   GLN   4          1HG       GLN   4  -0.293 -15.239  10.334
   34   1HE2  GLN   4          1HE2      GLN   4  -2.786 -16.104   7.957
   35   2HE2  GLN   4          2HE2      GLN   4  -2.396 -17.755   7.893
   36    H    ASP   5           HN       ASP   5  -2.278 -14.383  12.362
   37    HA   ASP   5           HA       ASP   5   0.481 -14.032  13.461
   38   1HB   ASP   5          2HB       ASP   5  -2.189 -13.463  14.777
   39   2HB   ASP   5          1HB       ASP   5  -0.679 -13.588  15.679
   40    H    GLY   6           HN       GLY   6  -2.655 -15.500  14.323
   41   1HA   GLY   6          1HA       GLY   6  -2.922 -17.584  15.517
   42   2HA   GLY   6          2HA       GLY   6  -1.236 -17.969  15.162
   43    H    ASN   7           HN       ASN   7  -3.846 -19.452  14.586
   44    HA   ASN   7           HA       ASN   7  -3.107 -20.304  11.880
   45   1HB   ASN   7          2HB       ASN   7  -4.742 -22.043  12.311
   46   2HB   ASN   7          1HB       ASN   7  -3.823 -21.783  13.794
   47   1HD2  ASN   7          1HD2      ASN   7  -5.287 -21.986  15.501
   48   2HD2  ASN   7          2HD2      ASN   7  -6.818 -21.252  15.558
   49    H    PHE   8           HN       PHE   8  -4.707 -17.636  12.804
   50    HA   PHE   8           HA       PHE   8  -6.822 -17.863  10.690
   51   1HB   PHE   8          2HB       PHE   8  -6.545 -16.007  13.077
   52   2HB   PHE   8          1HB       PHE   8  -7.930 -16.078  11.986
   53    HD1  PHE   8           HD1      PHE   8  -9.174 -18.314  11.765
   54    HD2  PHE   8           HD2      PHE   8  -6.391 -17.467  14.925
   55    HE1  PHE   8           HE1      PHE   8 -10.142 -20.158  13.111
   56    HE2  PHE   8           HE2      PHE   8  -7.358 -19.312  16.271
   57    HZ   PHE   8           HZ       PHE   8  -9.233 -20.658  15.364
   58    H    SER   9           HN       SER   9  -6.770 -16.395   8.991
   59    HA   SER   9           HA       SER   9  -4.417 -14.565   8.863
   60   1HB   SER   9          2HB       SER   9  -6.344 -15.601   6.760
   61   2HB   SER   9          1HB       SER   9  -4.888 -14.662   6.437
   62    HG   SER   9           HG       SER   9  -4.943 -17.154   7.785
   63    H    PHE  10           HN       PHE  10  -4.701 -12.344   8.674
   64    HA   PHE  10           HA       PHE  10  -7.526 -11.335   8.551
   65   1HB   PHE  10          2HB       PHE  10  -5.129 -10.281  10.090
   66   2HB   PHE  10          1HB       PHE  10  -6.749  -9.586  10.118
   67    HD1  PHE  10           HD1      PHE  10  -8.267 -12.257  10.021
   68    HD2  PHE  10           HD2      PHE  10  -4.976 -10.884  12.417
   69    HE1  PHE  10           HE1      PHE  10  -8.912 -13.843  11.817
   70    HE2  PHE  10           HE2      PHE  10  -5.621 -12.470  14.211
   71    HZ   PHE  10           HZ       PHE  10  -7.588 -13.950  13.911
   72    H    SER  11           HN       SER  11  -7.889  -9.775   6.991
   73    HA   SER  11           HA       SER  11  -5.788  -9.107   5.090
   74   1HB   SER  11          2HB       SER  11  -7.591  -8.010   3.939
   75   2HB   SER  11          1HB       SER  11  -8.291  -9.443   4.695
   76    HG   SER  11           HG       SER  11  -9.634  -7.886   5.323
   77    H    LEU  12           HN       LEU  12  -5.460  -6.695   4.505
   78    HA   LEU  12           HA       LEU  12  -4.956  -5.174   7.029
   79   1HB   LEU  12          2HB       LEU  12  -3.843  -4.957   4.213
   80   2HB   LEU  12          1HB       LEU  12  -3.320  -3.975   5.581
   81    HG   LEU  12           HG       LEU  12  -3.314  -6.945   5.909
   82   1HD1  LEU  12          3HD1      LEU  12  -1.856  -5.543   3.830
   83   2HD1  LEU  12          2HD1      LEU  12  -0.744  -6.254   5.001
   84   3HD1  LEU  12          1HD1      LEU  12  -1.919  -7.272   4.168
   85   1HD2  LEU  12          2HD2      LEU  12  -2.519  -4.756   7.416
   86   2HD2  LEU  12          1HD2      LEU  12  -2.017  -6.424   7.691
   87   3HD2  LEU  12          3HD2      LEU  12  -1.003  -5.344   6.734
   88    H    GLU  13           HN       GLU  13  -7.207  -5.301   4.559
   89    HA   GLU  13           HA       GLU  13  -7.572  -2.557   3.835
   90   1HB   GLU  13          2HB       GLU  13  -9.630  -4.771   4.114
   91   2HB   GLU  13          1HB       GLU  13  -9.748  -3.354   3.072
   92   1HG   GLU  13          2HG       GLU  13  -7.764  -4.124   1.814
   93   2HG   GLU  13          1HG       GLU  13  -7.668  -5.551   2.845
   94    H    SER  14           HN       SER  14  -9.816  -4.397   5.912
   95    HA   SER  14           HA       SER  14 -11.039  -2.160   7.121
   96   1HB   SER  14          2HB       SER  14 -12.223  -4.078   7.483
   97   2HB   SER  14          1HB       SER  14 -10.772  -5.071   7.592
   98    HG   SER  14           HG       SER  14 -12.056  -3.547   9.557
   99    H    VAL  15           HN       VAL  15  -8.159  -4.001   8.211
  100    HA   VAL  15           HA       VAL  15  -7.915  -2.741  10.766
  101    HB   VAL  15           HB       VAL  15  -6.049  -4.093   8.817
  102   1HG1  VAL  15          3HG1      VAL  15  -5.108  -2.173  10.547
  103   2HG1  VAL  15          2HG1      VAL  15  -5.019  -3.625  11.543
  104   3HG1  VAL  15          1HG1      VAL  15  -4.174  -3.563   9.997
  105   1HG2  VAL  15          2HG2      VAL  15  -7.736  -4.816  11.076
  106   2HG2  VAL  15          1HG2      VAL  15  -6.934  -5.866   9.904
  107   3HG2  VAL  15          3HG2      VAL  15  -6.066  -5.322  11.341
  108    H    LYS  16           HN       LYS  16  -6.374  -1.916   7.622
  109    HA   LYS  16           HA       LYS  16  -5.008   0.407   8.507
  110   1HB   LYS  16          2HB       LYS  16  -6.246  -0.495   5.900
  111   2HB   LYS  16          1HB       LYS  16  -5.378   1.037   6.015
  112   1HG   LYS  16          2HG       LYS  16  -3.410  -0.196   6.934
  113   2HG   LYS  16          1HG       LYS  16  -4.278  -1.710   6.686
  114   1HD   LYS  16          2HD       LYS  16  -4.511  -1.010   4.237
  115   2HD   LYS  16          1HD       LYS  16  -3.330   0.251   4.589
  116   1HE   LYS  16          2HE       LYS  16  -1.653  -1.261   4.382
  117   2HE   LYS  16          1HE       LYS  16  -2.376  -2.249   5.665
  118   1HZ   LYS  16          3HZ       LYS  16  -4.013  -3.004   3.937
  119   2HZ   LYS  16          2HZ       LYS  16  -3.027  -2.267   2.767
  120   3HZ   LYS  16          1HZ       LYS  16  -2.426  -3.553   3.699
  121    H    LYS  17           HN       LYS  17  -8.228   0.178   6.942
  122    HA   LYS  17           HA       LYS  17  -8.908   2.941   7.660
  123   1HB   LYS  17          2HB       LYS  17 -10.550   0.643   6.542
  124   2HB   LYS  17          1HB       LYS  17 -11.019   2.343   6.533
  125   1HG   LYS  17          2HG       LYS  17  -9.087   2.891   5.127
  126   2HG   LYS  17          1HG       LYS  17  -8.555   1.211   5.177
  127   1HD   LYS  17          2HD       LYS  17 -10.687   0.526   4.100
  128   2HD   LYS  17          1HD       LYS  17 -11.166   2.221   4.010
  129   1HE   LYS  17          2HE       LYS  17  -8.594   2.164   2.888
  130   2HE   LYS  17          1HE       LYS  17  -9.408   0.729   2.237
  131   1HZ   LYS  17          1HZ       LYS  17 -11.394   2.483   2.157
  132   2HZ   LYS  17          3HZ       LYS  17 -10.094   3.553   1.949
  133   3HZ   LYS  17          2HZ       LYS  17 -10.318   2.270   0.859
  134    H    LEU  18           HN       LEU  18  -8.547   0.400   9.613
  135    HA   LEU  18           HA       LEU  18 -11.120   0.250  10.960
  136   1HB   LEU  18          2HB       LEU  18  -9.690  -1.636  11.108
  137   2HB   LEU  18          1HB       LEU  18  -8.286  -0.643  11.494
  138    HG   LEU  18           HG       LEU  18  -9.505  -0.007  13.653
  139   1HD1  LEU  18          1HD1      LEU  18 -11.480  -1.695  12.374
  140   2HD1  LEU  18          3HD1      LEU  18 -11.012  -2.374  13.933
  141   3HD1  LEU  18          2HD1      LEU  18 -11.635  -0.727  13.841
  142   1HD2  LEU  18          1HD2      LEU  18  -7.824  -2.128  13.002
  143   2HD2  LEU  18          3HD2      LEU  18  -8.209  -1.585  14.635
  144   3HD2  LEU  18          2HD2      LEU  18  -9.129  -2.901  13.904
  145    H    LYS  19           HN       LYS  19  -8.634   2.574  10.907
  146    HA   LYS  19           HA       LYS  19  -8.622   3.508  13.621
  147   1HB   LYS  19          2HB       LYS  19  -6.967   4.140  11.918
  148   2HB   LYS  19          1HB       LYS  19  -8.225   4.917  10.957
  149   1HG   LYS  19          2HG       LYS  19  -8.668   6.448  12.904
  150   2HG   LYS  19          1HG       LYS  19  -7.267   5.745  13.712
  151   1HD   LYS  19          2HD       LYS  19  -5.848   6.423  11.779
  152   2HD   LYS  19          1HD       LYS  19  -7.255   7.190  11.043
  153   1HE   LYS  19          2HE       LYS  19  -7.359   8.870  12.702
  154   2HE   LYS  19          1HE       LYS  19  -6.390   7.923  13.846
  155   1HZ   LYS  19          3HZ       LYS  19  -5.251   8.585  11.219
  156   2HZ   LYS  19          2HZ       LYS  19  -5.283   9.796  12.409
  157   3HZ   LYS  19          1HZ       LYS  19  -4.461   8.339  12.699
  158    H    ASP  20           HN       ASP  20 -10.781   4.058  10.887
  159    HA   ASP  20           HA       ASP  20 -12.584   5.638  12.693
  160   1HB   ASP  20          2HB       ASP  20 -11.403   6.974  10.932
  161   2HB   ASP  20          1HB       ASP  20 -12.141   5.945   9.704
  162    H    LEU  21           HN       LEU  21 -14.483   4.535  12.995
  163    HA   LEU  21           HA       LEU  21 -15.256   2.455  10.992
  164   1HB   LEU  21          2HB       LEU  21 -14.850   2.068  13.523
  165   2HB   LEU  21          1HB       LEU  21 -16.398   2.881  13.755
  166    HG   LEU  21           HG       LEU  21 -16.667   0.418  13.613
  167   1HD1  LEU  21          2HD1      LEU  21 -18.223   2.308  12.470
  168   2HD1  LEU  21          1HD1      LEU  21 -17.824   1.358  11.039
  169   3HD1  LEU  21          3HD1      LEU  21 -18.617   0.590  12.416
  170   1HD2  LEU  21          3HD2      LEU  21 -14.739   0.682  11.585
  171   2HD2  LEU  21          2HD2      LEU  21 -15.575  -0.798  12.059
  172   3HD2  LEU  21          1HD2      LEU  21 -16.219   0.199  10.754
  173    H    GLN  22           HN       GLN  22 -16.743   3.206   9.525
  174    HA   GLN  22           HA       GLN  22 -19.334   4.121  10.265
  175   1HB   GLN  22          2HB       GLN  22 -17.375   6.031  10.698
  176   2HB   GLN  22          1HB       GLN  22 -18.017   6.483   9.118
  177   1HG   GLN  22          2HG       GLN  22 -20.321   6.403  10.069
  178   2HG   GLN  22          1HG       GLN  22 -19.629   6.049  11.653
  179   1HE2  GLN  22          1HE2      GLN  22 -19.342   7.886  12.922
  180   2HE2  GLN  22          2HE2      GLN  22 -19.078   9.454  12.327
  181    H    GLU  23           HN       GLU  23 -20.616   4.748   8.343
  182    HA   GLU  23           HA       GLU  23 -21.208   4.463   6.072
  183   1HB   GLU  23          2HB       GLU  23 -18.688   5.862   6.323
  184   2HB   GLU  23          1HB       GLU  23 -18.711   4.924   4.830
  185   1HG   GLU  23          2HG       GLU  23 -21.065   5.916   4.460
  186   2HG   GLU  23          1HG       GLU  23 -20.642   7.067   5.727
  187    HA   PRO  24           HA       PRO  24 -20.146   0.507   4.495
  188   1HB   PRO  24          2HB       PRO  24 -19.195   1.300   1.898
  189   2HB   PRO  24          1HB       PRO  24 -20.786   0.668   2.329
  190   1HG   PRO  24          2HG       PRO  24 -20.095   3.357   1.588
  191   2HG   PRO  24          1HG       PRO  24 -21.687   2.724   2.012
  192   1HD   PRO  24          2HD       PRO  24 -20.013   4.485   3.567
  193   2HD   PRO  24          1HD       PRO  24 -21.610   3.834   4.003
  194    H    GLN  25           HN       GLN  25 -18.288  -0.879   3.790
  195    HA   GLN  25           HA       GLN  25 -15.642   0.475   4.212
  196   1HB   GLN  25          2HB       GLN  25 -15.007  -1.538   5.463
  197   2HB   GLN  25          1HB       GLN  25 -16.492  -0.868   6.138
  198   1HG   GLN  25          2HG       GLN  25 -17.807  -2.478   4.767
  199   2HG   GLN  25          1HG       GLN  25 -16.298  -3.179   4.182
  200   1HE2  GLN  25          1HE2      GLN  25 -15.128  -4.583   5.609
  201   2HE2  GLN  25          2HE2      GLN  25 -15.713  -5.037   7.136
  202    H    GLU  26           HN       GLU  26 -13.810  -0.752   3.220
  203    HA   GLU  26           HA       GLU  26 -12.795  -1.882   1.410
  204   1HB   GLU  26          2HB       GLU  26 -15.107  -3.368   2.274
  205   2HB   GLU  26          1HB       GLU  26 -14.945  -3.512   0.524
  206   1HG   GLU  26          2HG       GLU  26 -12.337  -3.786   1.378
  207   2HG   GLU  26          1HG       GLU  26 -13.239  -4.598   2.659
  208    HA   PRO  27           HA       PRO  27 -15.621   0.881  -1.282
  209   1HB   PRO  27          2HB       PRO  27 -13.412   2.711  -1.484
  210   2HB   PRO  27          1HB       PRO  27 -14.989   2.992  -0.743
  211   1HG   PRO  27          2HG       PRO  27 -12.455   2.658   0.569
  212   2HG   PRO  27          1HG       PRO  27 -14.031   2.947   1.309
  213   1HD   PRO  27          2HD       PRO  27 -12.492   0.505   1.324
  214   2HD   PRO  27          1HD       PRO  27 -14.085   0.799   2.059
  215    H    ARG  28           HN       ARG  28 -15.239   1.102  -3.595
  216    HA   ARG  28           HA       ARG  28 -13.203  -0.749  -4.638
  217   1HB   ARG  28          2HB       ARG  28 -15.368   0.975  -5.882
  218   2HB   ARG  28          1HB       ARG  28 -14.377  -0.165  -6.793
  219   1HG   ARG  28          2HG       ARG  28 -15.161  -1.991  -5.279
  220   2HG   ARG  28          1HG       ARG  28 -16.224  -0.833  -4.480
  221   1HD   ARG  28          2HD       ARG  28 -16.324  -1.618  -7.416
  222   2HD   ARG  28          1HD       ARG  28 -17.517  -2.038  -6.173
  223    HE   ARG  28           HE       ARG  28 -17.701   0.550  -5.885
  224   1HH1  ARG  28          1HH1      ARG  28 -18.057  -1.308  -8.660
  225   2HH1  ARG  28          2HH1      ARG  28 -18.153   0.030  -9.755
  226   1HH2  ARG  28          1HH2      ARG  28 -17.323   2.395  -7.359
  227   2HH2  ARG  28          2HH2      ARG  28 -17.738   2.126  -9.018
  228    H    VAL  29           HN       VAL  29 -11.302   0.588  -3.972
  229    HA   VAL  29           HA       VAL  29 -10.871   2.935  -5.794
  230    HB   VAL  29           HB       VAL  29  -9.642   2.338  -3.084
  231   1HG1  VAL  29          1HG1      VAL  29  -8.905   4.124  -5.130
  232   2HG1  VAL  29          3HG1      VAL  29  -9.745   5.110  -3.932
  233   3HG1  VAL  29          2HG1      VAL  29  -8.347   4.146  -3.457
  234   1HG2  VAL  29          2HG2      VAL  29 -12.228   3.489  -3.863
  235   2HG2  VAL  29          1HG2      VAL  29 -11.684   2.917  -2.287
  236   3HG2  VAL  29          3HG2      VAL  29 -11.283   4.549  -2.819
  237    H    GLY  30           HN       GLY  30  -9.062   2.837  -7.106
  238   1HA   GLY  30          1HA       GLY  30  -7.349   1.707  -8.287
  239   2HA   GLY  30          2HA       GLY  30  -7.558   0.331  -7.203
  240    H    LYS  31           HN       LYS  31  -7.305   3.092  -5.347
  241    HA   LYS  31           HA       LYS  31  -4.461   3.565  -5.348
  242   1HB   LYS  31          2HB       LYS  31  -6.316   5.056  -4.498
  243   2HB   LYS  31          1HB       LYS  31  -6.494   3.958  -3.129
  244   1HG   LYS  31          2HG       LYS  31  -4.095   4.339  -2.559
  245   2HG   LYS  31          1HG       LYS  31  -3.997   5.513  -3.873
  246   1HD   LYS  31          2HD       LYS  31  -5.876   6.783  -2.775
  247   2HD   LYS  31          1HD       LYS  31  -5.757   5.675  -1.408
  248   1HE   LYS  31          2HE       LYS  31  -3.932   6.760  -0.593
  249   2HE   LYS  31          1HE       LYS  31  -3.147   6.765  -2.184
  250   1HZ   LYS  31          1HZ       LYS  31  -5.379   8.555  -1.362
  251   2HZ   LYS  31          3HZ       LYS  31  -3.750   9.018  -1.450
  252   3HZ   LYS  31          2HZ       LYS  31  -4.584   8.574  -2.863
  253    H    LEU  32           HN       LEU  32  -2.861   2.693  -3.963
  254    HA   LEU  32           HA       LEU  32  -3.307  -0.019  -2.999
  255   1HB   LEU  32          2HB       LEU  32  -0.985   1.896  -2.595
  256   2HB   LEU  32          1HB       LEU  32  -0.929   0.139  -2.446
  257    HG   LEU  32           HG       LEU  32  -1.501   1.726  -4.967
  258   1HD1  LEU  32          2HD1      LEU  32   0.897   1.480  -4.128
  259   2HD1  LEU  32          1HD1      LEU  32   0.717  -0.253  -4.399
  260   3HD1  LEU  32          3HD1      LEU  32   0.590   0.869  -5.753
  261   1HD2  LEU  32          1HD2      LEU  32  -2.090  -1.052  -4.197
  262   2HD2  LEU  32          3HD2      LEU  32  -2.728  -0.098  -5.535
  263   3HD2  LEU  32          2HD2      LEU  32  -1.171  -0.911  -5.695
  264    H    ARG  33           HN       ARG  33  -3.689  -0.669  -0.887
  265    HA   ARG  33           HA       ARG  33  -4.595   1.276   1.059
  266   1HB   ARG  33          2HB       ARG  33  -3.930  -1.681   1.265
  267   2HB   ARG  33          1HB       ARG  33  -4.878  -0.768   2.439
  268   1HG   ARG  33          2HG       ARG  33  -6.545  -0.249   0.700
  269   2HG   ARG  33          1HG       ARG  33  -5.591  -1.138  -0.487
  270   1HD   ARG  33          2HD       ARG  33  -6.757  -2.353   2.046
  271   2HD   ARG  33          1HD       ARG  33  -7.441  -2.537   0.420
  272    HE   ARG  33           HE       ARG  33  -4.892  -3.314  -0.038
  273   1HH1  ARG  33          1HH1      ARG  33  -5.592  -3.595   3.155
  274   2HH1  ARG  33          2HH1      ARG  33  -5.544  -5.324   3.233
  275   1HH2  ARG  33          1HH2      ARG  33  -5.454  -5.740  -0.209
  276   2HH2  ARG  33          2HH2      ARG  33  -5.467  -6.539   1.329
  277    H    ASN  34           HN       ASN  34  -3.451   2.195   2.740
  278    HA   ASN  34           HA       ASN  34  -1.128   1.073   3.988
  279   1HB   ASN  34          2HB       ASN  34  -0.807   2.521   1.453
  280   2HB   ASN  34          1HB       ASN  34   0.201   3.170   2.747
  281   1HD2  ASN  34          1HD2      ASN  34   1.462   1.849   0.602
  282   2HD2  ASN  34          2HD2      ASN  34   2.074   0.359   1.137
  283    H    PHE  35           HN       PHE  35  -3.285   2.243   5.141
  284    HA   PHE  35           HA       PHE  35  -2.625   5.085   5.735
  285   1HB   PHE  35          2HB       PHE  35  -4.964   3.370   5.608
  286   2HB   PHE  35          1HB       PHE  35  -4.894   4.205   7.158
  287    HD1  PHE  35           HD1      PHE  35  -4.882   6.669   7.267
  288    HD2  PHE  35           HD2      PHE  35  -5.262   4.584   3.531
  289    HE1  PHE  35           HE1      PHE  35  -5.652   8.760   6.177
  290    HE2  PHE  35           HE2      PHE  35  -6.032   6.674   2.442
  291    HZ   PHE  35           HZ       PHE  35  -6.227   8.763   3.765
  292    H    ALA  36           HN       ALA  36  -1.596   5.609   7.640
  293    HA   ALA  36           HA       ALA  36  -0.800   3.501   9.509
  294   1HB   ALA  36          2HB       ALA  36  -0.470   6.423  10.055
  295   2HB   ALA  36          3HB       ALA  36   0.336   5.758   8.635
  296   3HB   ALA  36          1HB       ALA  36   0.698   5.114  10.236
  297    HA   PRO  37           HA       PRO  37  -4.632   4.207  11.811
  298   1HB   PRO  37          2HB       PRO  37  -3.820   2.031  13.509
  299   2HB   PRO  37          1HB       PRO  37  -5.068   2.026  12.260
  300   1HG   PRO  37          2HG       PRO  37  -2.561   0.689  12.179
  301   2HG   PRO  37          1HG       PRO  37  -3.733   0.829  10.867
  302   1HD   PRO  37          2HD       PRO  37  -1.157   2.193  11.183
  303   2HD   PRO  37          1HD       PRO  37  -2.209   2.109   9.752
  304    H    ILE  38           HN       ILE  38  -4.560   3.561  14.591
  305    HA   ILE  38           HA       ILE  38  -2.410   5.377  15.632
  306    HB   ILE  38           HB       ILE  38  -5.324   5.228  16.473
  307   1HG1  ILE  38          2HG1      ILE  38  -5.168   6.167  14.237
  308   2HG1  ILE  38          1HG1      ILE  38  -5.459   7.481  15.378
  309   1HG2  ILE  38          2HG2      ILE  38  -3.654   5.944  18.212
  310   2HG2  ILE  38          1HG2      ILE  38  -3.182   7.266  17.144
  311   3HG2  ILE  38          3HG2      ILE  38  -4.820   7.201  17.794
  312   1HD1  ILE  38          1HD1      ILE  38  -2.666   7.196  15.290
  313   2HD1  ILE  38          3HD1      ILE  38  -3.193   7.056  13.613
  314   3HD1  ILE  38          2HD1      ILE  38  -3.617   8.487  14.555
  315    HA   PRO  39           HA       PRO  39  -2.421   1.226  17.762
  316   1HB   PRO  39          2HB       PRO  39   0.426   1.590  17.968
  317   2HB   PRO  39          1HB       PRO  39  -0.452   0.411  16.991
  318   1HG   PRO  39          2HG       PRO  39   0.979   2.730  16.089
  319   2HG   PRO  39          1HG       PRO  39   0.089   1.560  15.113
  320   1HD   PRO  39          2HD       PRO  39  -0.644   4.288  15.724
  321   2HD   PRO  39          1HD       PRO  39  -1.531   3.116  14.722
  322    H    GLY  40           HN       GLY  40  -2.266   0.974  20.026
  323   1HA   GLY  40          1HA       GLY  40  -0.952   3.126  21.594
  324   2HA   GLY  40          2HA       GLY  40  -1.477   1.567  22.232
  325    H    GLU  41           HN       GLU  41  -4.032   2.282  20.459
  326    HA   GLU  41           HA       GLU  41  -5.269   4.303  22.250
  327   1HB   GLU  41          2HB       GLU  41  -5.602   3.243  19.538
  328   2HB   GLU  41          1HB       GLU  41  -7.138   3.417  20.388
  329   1HG   GLU  41          2HG       GLU  41  -6.137   5.766  21.071
  330   2HG   GLU  41          1HG       GLU  41  -5.135   5.521  19.641
  331    HA   PRO  42           HA       PRO  42  -7.344   1.382  24.802
  332   1HB   PRO  42          2HB       PRO  42  -9.795   2.889  24.789
  333   2HB   PRO  42          1HB       PRO  42  -8.549   2.849  26.039
  334   1HG   PRO  42          2HG       PRO  42  -9.151   4.985  24.209
  335   2HG   PRO  42          1HG       PRO  42  -7.915   4.951  25.469
  336   1HD   PRO  42          2HD       PRO  42  -7.532   4.830  22.613
  337   2HD   PRO  42          1HD       PRO  42  -6.286   4.774  23.882
  338    H    VAL  43           HN       VAL  43  -7.915  -0.514  23.730
  339    HA   VAL  43           HA       VAL  43 -10.359  -0.414  21.999
  340    HB   VAL  43           HB       VAL  43  -7.703  -1.802  21.526
  341   1HG1  VAL  43          2HG1      VAL  43 -10.391  -2.414  20.579
  342   2HG1  VAL  43          1HG1      VAL  43  -9.302  -2.032  19.243
  343   3HG1  VAL  43          3HG1      VAL  43  -8.897  -3.328  20.368
  344   1HG2  VAL  43          1HG2      VAL  43  -8.356   0.769  20.981
  345   2HG2  VAL  43          3HG2      VAL  43  -7.275  -0.182  19.963
  346   3HG2  VAL  43          2HG2      VAL  43  -8.976  -0.010  19.525
  347    H    VAL  44           HN       VAL  44 -11.597  -2.367  22.005
  348    HA   VAL  44           HA       VAL  44 -12.523  -4.300  22.978
  349    HB   VAL  44           HB       VAL  44  -9.552  -4.681  23.432
  350   1HG1  VAL  44          1HG1      VAL  44 -11.809  -6.206  24.428
  351   2HG1  VAL  44          3HG1      VAL  44 -10.848  -7.175  23.312
  352   3HG1  VAL  44          2HG1      VAL  44 -10.089  -6.447  24.728
  353   1HG2  VAL  44          1HG2      VAL  44 -11.527  -5.390  21.278
  354   2HG2  VAL  44          3HG2      VAL  44  -9.914  -4.693  21.121
  355   3HG2  VAL  44          2HG2      VAL  44 -10.102  -6.399  21.523
  356    HA   PRO  45           HA       PRO  45 -11.898  -2.235  27.218
  357   1HB   PRO  45          2HB       PRO  45 -14.694  -1.559  27.110
  358   2HB   PRO  45          1HB       PRO  45 -13.315  -0.456  27.133
  359   1HG   PRO  45          2HG       PRO  45 -15.065  -1.050  24.932
  360   2HG   PRO  45          1HG       PRO  45 -13.690   0.056  24.955
  361   1HD   PRO  45          2HD       PRO  45 -13.878  -2.512  23.647
  362   2HD   PRO  45          1HD       PRO  45 -12.490  -1.399  23.672
  363    H    ILE  46           HN       ILE  46 -14.134  -4.299  25.563
  364    HA   ILE  46           HA       ILE  46 -14.233  -6.192  27.815
  365    HB   ILE  46           HB       ILE  46 -16.025  -4.525  28.288
  366   1HG1  ILE  46          2HG1      ILE  46 -17.310  -7.076  27.305
  367   2HG1  ILE  46          1HG1      ILE  46 -16.252  -7.056  28.715
  368   1HG2  ILE  46          1HG2      ILE  46 -16.291  -4.336  25.593
  369   2HG2  ILE  46          3HG2      ILE  46 -17.628  -5.425  25.960
  370   3HG2  ILE  46          2HG2      ILE  46 -17.547  -3.839  26.725
  371   1HD1  ILE  46          3HD1      ILE  46 -18.685  -5.276  28.394
  372   2HD1  ILE  46          2HD1      ILE  46 -18.686  -6.798  29.284
  373   3HD1  ILE  46          1HD1      ILE  46 -17.688  -5.453  29.838
  374    H    LEU  47           HN       LEU  47 -15.057  -5.203  24.563
  375    HA   LEU  47           HA       LEU  47 -14.791  -8.012  23.622
  376   1HB   LEU  47          2HB       LEU  47 -17.073  -6.115  22.950
  377   2HB   LEU  47          1HB       LEU  47 -16.869  -7.747  22.313
  378    HG   LEU  47           HG       LEU  47 -17.163  -7.076  25.257
  379   1HD1  LEU  47          2HD1      LEU  47 -19.187  -6.730  23.642
  380   2HD1  LEU  47          1HD1      LEU  47 -19.217  -8.492  23.572
  381   3HD1  LEU  47          3HD1      LEU  47 -19.429  -7.666  25.116
  382   1HD2  LEU  47          1HD2      LEU  47 -15.881  -9.171  24.577
  383   2HD2  LEU  47          3HD2      LEU  47 -17.296  -9.447  25.593
  384   3HD2  LEU  47          2HD2      LEU  47 -17.382  -9.753  23.858
  385    H    CYS  48           HN       CYS  48 -16.117  -6.031  21.244
  386    HA   CYS  48           HA       CYS  48 -13.388  -5.299  20.251
  387   1HB   CYS  48          2HB       CYS  48 -15.979  -6.130  18.932
  388   2HB   CYS  48          1HB       CYS  48 -14.680  -5.367  18.015
  389    H    SER  49           HN       SER  49 -13.013  -3.115  20.091
  390    HA   SER  49           HA       SER  49 -14.879  -1.132  20.916
  391   1HB   SER  49          2HB       SER  49 -12.440  -0.905  19.128
  392   2HB   SER  49          1HB       SER  49 -13.163   0.408  20.057
  393    HG   SER  49           HG       SER  49 -12.220  -0.304  21.782
  394    H    ASN  50           HN       ASN  50 -13.604  -1.544  17.600
  395    HA   ASN  50           HA       ASN  50 -15.707   0.050  16.412
  396   1HB   ASN  50          2HB       ASN  50 -13.441  -1.701  15.521
  397   2HB   ASN  50          1HB       ASN  50 -14.623  -1.168  14.325
  398   1HD2  ASN  50          1HD2      ASN  50 -13.230   0.359  13.253
  399   2HD2  ASN  50          2HD2      ASN  50 -12.653   1.760  14.017
  400    HA   PRO  51           HA       PRO  51 -18.684  -3.343  16.600
  401   1HB   PRO  51          2HB       PRO  51 -20.494  -1.624  15.170
  402   2HB   PRO  51          1HB       PRO  51 -20.526  -2.054  16.882
  403   1HG   PRO  51          2HG       PRO  51 -19.828   0.470  15.719
  404   2HG   PRO  51          1HG       PRO  51 -19.826   0.031  17.428
  405   1HD   PRO  51          2HD       PRO  51 -17.548   0.475  15.697
  406   2HD   PRO  51          1HD       PRO  51 -17.548   0.081  17.431
  407    H    ASN  52           HN       ASN  52 -17.281  -1.715  13.916
  408    HA   ASN  52           HA       ASN  52 -18.284  -3.866  12.079
  409   1HB   ASN  52          2HB       ASN  52 -17.803  -0.911  11.586
  410   2HB   ASN  52          1HB       ASN  52 -18.187  -2.073  10.317
  411   1HD2  ASN  52          1HD2      ASN  52 -19.958   0.089  10.833
  412   2HD2  ASN  52          2HD2      ASN  52 -21.389  -0.521  11.511
  413    H    PHE  53           HN       PHE  53 -15.811  -3.781  13.684
  414    HA   PHE  53           HA       PHE  53 -13.615  -3.098  11.866
  415   1HB   PHE  53          2HB       PHE  53 -12.280  -3.628  13.728
  416   2HB   PHE  53          1HB       PHE  53 -13.789  -3.129  14.489
  417    HD1  PHE  53           HD1      PHE  53 -15.577  -5.362  14.245
  418    HD2  PHE  53           HD2      PHE  53 -11.336  -5.394  14.934
  419    HE1  PHE  53           HE1      PHE  53 -15.771  -7.576  15.336
  420    HE2  PHE  53           HE2      PHE  53 -11.531  -7.617  16.027
  421    HZ   PHE  53           HZ       PHE  53 -13.750  -8.704  16.227
  422    HA   PRO  54           HA       PRO  54 -12.914  -6.962   9.905
  423   1HB   PRO  54          2HB       PRO  54 -10.483  -7.759  11.239
  424   2HB   PRO  54          1HB       PRO  54 -10.657  -7.020   9.645
  425   1HG   PRO  54          2HG       PRO  54  -9.617  -5.812  12.023
  426   2HG   PRO  54          1HG       PRO  54  -9.851  -5.057  10.448
  427   1HD   PRO  54          2HD       PRO  54 -11.368  -4.647  12.882
  428   2HD   PRO  54          1HD       PRO  54 -11.554  -3.813  11.323
  429    H    GLU  55           HN       GLU  55 -14.802  -7.607  11.347
  430    HA   GLU  55           HA       GLU  55 -14.851  -8.835  13.781
  431   1HB   GLU  55          2HB       GLU  55 -16.732  -8.562  12.187
  432   2HB   GLU  55          1HB       GLU  55 -16.103  -9.916  11.239
  433   1HG   GLU  55          2HG       GLU  55 -16.313 -11.377  13.249
  434   2HG   GLU  55          1HG       GLU  55 -17.034 -10.027  14.125
  435    H    GLU  56           HN       GLU  56 -13.280 -10.118  10.905
  436    HA   GLU  56           HA       GLU  56 -12.933 -12.827  11.632
  437   1HB   GLU  56          2HB       GLU  56 -11.061 -10.839  10.296
  438   2HB   GLU  56          1HB       GLU  56 -10.829 -12.587  10.269
  439   1HG   GLU  56          2HG       GLU  56 -13.235 -11.094   9.177
  440   2HG   GLU  56          1HG       GLU  56 -11.964 -11.851   8.216
  441    H    LEU  57           HN       LEU  57 -11.764  -9.941  13.108
  442    HA   LEU  57           HA       LEU  57  -9.575 -11.283  14.592
  443   1HB   LEU  57          2HB       LEU  57 -10.704  -8.462  14.654
  444   2HB   LEU  57          1HB       LEU  57  -9.211  -8.982  15.434
  445    HG   LEU  57           HG       LEU  57  -9.747  -9.129  12.451
  446   1HD1  LEU  57          3HD1      LEU  57  -9.486  -6.810  13.554
  447   2HD1  LEU  57          2HD1      LEU  57  -7.820  -7.291  13.877
  448   3HD1  LEU  57          1HD1      LEU  57  -8.402  -7.189  12.215
  449   1HD2  LEU  57          3HD2      LEU  57  -7.561 -10.039  14.252
  450   2HD2  LEU  57          2HD2      LEU  57  -8.099 -10.707  12.710
  451   3HD2  LEU  57          1HD2      LEU  57  -7.070  -9.273  12.741
  452    H    LYS  58           HN       LYS  58 -12.839 -11.322  14.869
  453    HA   LYS  58           HA       LYS  58 -13.731 -10.472  17.305
  454   1HB   LYS  58          2HB       LYS  58 -15.240 -11.701  16.030
  455   2HB   LYS  58          1HB       LYS  58 -14.084 -12.993  15.721
  456   1HG   LYS  58          2HG       LYS  58 -15.850 -13.727  17.291
  457   2HG   LYS  58          1HG       LYS  58 -14.268 -13.724  18.071
  458   1HD   LYS  58          2HD       LYS  58 -15.567 -12.624  19.666
  459   2HD   LYS  58          1HD       LYS  58 -14.928 -11.264  18.744
  460   1HE   LYS  58          2HE       LYS  58 -17.032 -10.642  18.180
  461   2HE   LYS  58          1HE       LYS  58 -17.333 -12.240  17.471
  462   1HZ   LYS  58          3HZ       LYS  58 -17.569 -13.049  19.831
  463   2HZ   LYS  58          2HZ       LYS  58 -17.611 -11.420  20.313
  464   3HZ   LYS  58          1HZ       LYS  58 -18.817 -12.037  19.287
  465    HA   PRO  59           HA       PRO  59 -11.692 -14.351  19.493
  466   1HB   PRO  59          2HB       PRO  59  -9.280 -14.814  17.985
  467   2HB   PRO  59          1HB       PRO  59 -10.610 -15.936  18.280
  468   1HG   PRO  59          2HG       PRO  59  -9.954 -14.512  15.839
  469   2HG   PRO  59          1HG       PRO  59 -11.188 -15.750  16.092
  470   1HD   PRO  59          2HD       PRO  59 -11.636 -12.985  15.642
  471   2HD   PRO  59          1HD       PRO  59 -12.848 -14.180  16.153
  472    H    LEU  60           HN       LEU  60  -9.617 -12.070  17.658
  473    HA   LEU  60           HA       LEU  60  -7.626 -11.603  19.593
  474   1HB   LEU  60          2HB       LEU  60  -8.241 -10.716  17.112
  475   2HB   LEU  60          1HB       LEU  60  -8.719  -9.301  18.051
  476    HG   LEU  60           HG       LEU  60  -6.314  -9.936  19.203
  477   1HD1  LEU  60          2HD1      LEU  60  -6.405 -11.376  16.759
  478   2HD1  LEU  60          1HD1      LEU  60  -5.316 -10.012  16.501
  479   3HD1  LEU  60          3HD1      LEU  60  -5.012 -11.147  17.817
  480   1HD2  LEU  60          1HD2      LEU  60  -7.416  -7.801  17.929
  481   2HD2  LEU  60          3HD2      LEU  60  -5.735  -7.854  18.461
  482   3HD2  LEU  60          2HD2      LEU  60  -6.142  -8.228  16.787
  483    H    CYS  61           HN       CYS  61 -10.836 -10.060  19.231
  484    HA   CYS  61           HA       CYS  61 -10.513  -8.224  21.431
  485   1HB   CYS  61          2HB       CYS  61 -12.950  -9.434  20.083
  486   2HB   CYS  61          1HB       CYS  61 -12.980  -8.024  21.140
  487    H    LYS  62           HN       LYS  62 -11.584 -11.578  21.183
  488    HA   LYS  62           HA       LYS  62 -12.699 -11.671  23.886
  489   1HB   LYS  62          2HB       LYS  62 -13.454 -13.062  21.960
  490   2HB   LYS  62          1HB       LYS  62 -11.883 -13.861  21.950
  491   1HG   LYS  62          2HG       LYS  62 -13.364 -15.278  23.203
  492   2HG   LYS  62          1HG       LYS  62 -12.317 -14.485  24.379
  493   1HD   LYS  62          2HD       LYS  62 -14.066 -12.802  24.812
  494   2HD   LYS  62          1HD       LYS  62 -15.112 -13.578  23.622
  495   1HE   LYS  62          2HE       LYS  62 -14.962 -15.700  25.001
  496   2HE   LYS  62          1HE       LYS  62 -14.137 -14.746  26.249
  497   1HZ   LYS  62          2HZ       LYS  62 -16.090 -13.118  25.866
  498   2HZ   LYS  62          1HZ       LYS  62 -16.885 -14.466  25.206
  499   3HZ   LYS  62          3HZ       LYS  62 -16.359 -14.500  26.817
  500    H    GLU  63           HN       GLU  63  -9.550 -11.562  22.713
  501    HA   GLU  63           HA       GLU  63  -8.519 -13.169  25.027
  502   1HB   GLU  63          2HB       GLU  63  -6.498 -13.435  23.645
  503   2HB   GLU  63          1HB       GLU  63  -7.924 -13.950  22.746
  504   1HG   GLU  63          2HG       GLU  63  -7.930 -12.011  21.407
  505   2HG   GLU  63          1HG       GLU  63  -6.907 -11.120  22.535
  506    HA   PRO  64           HA       PRO  64  -7.155  -9.416  26.880
  507   1HB   PRO  64          2HB       PRO  64  -4.874 -10.735  28.037
  508   2HB   PRO  64          1HB       PRO  64  -6.402 -10.315  28.814
  509   1HG   PRO  64          2HG       PRO  64  -5.461 -12.923  28.075
  510   2HG   PRO  64          1HG       PRO  64  -6.996 -12.501  28.837
  511   1HD   PRO  64          2HD       PRO  64  -6.544 -13.381  26.121
  512   2HD   PRO  64          1HD       PRO  64  -8.093 -12.978  26.897
  513    H    ASN  65           HN       ASN  65  -5.185 -11.311  24.736
  514    HA   ASN  65           HA       ASN  65  -2.915  -9.464  24.673
  515   1HB   ASN  65          2HB       ASN  65  -3.829 -11.720  22.860
  516   2HB   ASN  65          1HB       ASN  65  -2.243 -10.952  22.793
  517   1HD2  ASN  65          1HD2      ASN  65  -2.390 -13.718  23.351
  518   2HD2  ASN  65          2HD2      ASN  65  -1.968 -13.988  24.973
  519    H    ALA  66           HN       ALA  66  -6.056  -9.373  23.396
  520    HA   ALA  66           HA       ALA  66  -5.833  -8.363  20.796
  521   1HB   ALA  66          3HB       ALA  66  -7.778  -8.674  22.714
  522   2HB   ALA  66          1HB       ALA  66  -8.039  -7.900  21.152
  523   3HB   ALA  66          2HB       ALA  66  -7.692  -6.919  22.577
  524    H    GLN  67           HN       GLN  67  -5.305  -6.666  23.881
  525    HA   GLN  67           HA       GLN  67  -5.037  -4.021  22.830
  526   1HB   GLN  67          2HB       GLN  67  -5.312  -4.752  25.227
  527   2HB   GLN  67          1HB       GLN  67  -3.632  -5.288  25.203
  528   1HG   GLN  67          2HG       GLN  67  -2.960  -2.962  24.546
  529   2HG   GLN  67          1HG       GLN  67  -4.640  -2.463  24.750
  530   1HE2  GLN  67          1HE2      GLN  67  -4.940  -1.494  26.757
  531   2HE2  GLN  67          2HE2      GLN  67  -4.166  -1.959  28.194
  532    H    GLU  68           HN       GLU  68  -2.665  -6.645  23.280
  533    HA   GLU  68           HA       GLU  68  -0.419  -5.007  22.345
  534   1HB   GLU  68          2HB       GLU  68  -0.247  -6.865  24.000
  535   2HB   GLU  68          1HB       GLU  68  -0.734  -8.003  22.743
  536   1HG   GLU  68          2HG       GLU  68   1.688  -8.031  22.892
  537   2HG   GLU  68          1HG       GLU  68   1.238  -7.239  21.383
  538    H    ILE  69           HN       ILE  69  -2.534  -7.533  21.017
  539    HA   ILE  69           HA       ILE  69  -1.187  -7.789  18.475
  540    HB   ILE  69           HB       ILE  69  -4.069  -8.277  19.309
  541   1HG1  ILE  69          2HG1      ILE  69  -1.707 -10.178  19.211
  542   2HG1  ILE  69          1HG1      ILE  69  -2.361  -9.467  20.686
  543   1HG2  ILE  69          1HG2      ILE  69  -2.531  -8.760  16.823
  544   2HG2  ILE  69          3HG2      ILE  69  -3.497 -10.121  17.394
  545   3HG2  ILE  69          2HG2      ILE  69  -4.269  -8.573  17.054
  546   1HD1  ILE  69          2HD1      ILE  69  -4.626 -10.480  19.502
  547   2HD1  ILE  69          1HD1      ILE  69  -3.414 -11.672  19.037
  548   3HD1  ILE  69          3HD1      ILE  69  -3.689 -11.312  20.741
  549    H    LEU  70           HN       LEU  70  -3.964  -5.860  19.605
  550    HA   LEU  70           HA       LEU  70  -4.819  -4.679  17.220
  551   1HB   LEU  70          2HB       LEU  70  -5.976  -4.336  19.291
  552   2HB   LEU  70          1HB       LEU  70  -4.539  -3.666  20.060
  553    HG   LEU  70           HG       LEU  70  -6.442  -2.060  19.177
  554   1HD1  LEU  70          1HD1      LEU  70  -3.912  -1.682  19.973
  555   2HD1  LEU  70          3HD1      LEU  70  -3.726  -1.207  18.285
  556   3HD1  LEU  70          2HD1      LEU  70  -4.887  -0.368  19.315
  557   1HD2  LEU  70          1HD2      LEU  70  -6.071  -3.250  16.839
  558   2HD2  LEU  70          3HD2      LEU  70  -6.411  -1.521  16.919
  559   3HD2  LEU  70          2HD2      LEU  70  -4.755  -2.085  16.704
  560    H    GLN  71           HN       GLN  71  -2.422  -3.220  19.472
  561    HA   GLN  71           HA       GLN  71  -1.596  -1.063  17.891
  562   1HB   GLN  71          2HB       GLN  71  -0.967  -1.637  20.252
  563   2HB   GLN  71          1HB       GLN  71   0.126  -2.867  19.619
  564   1HG   GLN  71          2HG       GLN  71   1.312  -1.089  18.326
  565   2HG   GLN  71          1HG       GLN  71   0.271   0.115  19.087
  566   1HE2  GLN  71          1HE2      GLN  71   1.498   1.141  20.682
  567   2HE2  GLN  71          2HE2      GLN  71   2.495   0.344  21.801
  568    H    ARG  72           HN       ARG  72  -0.012  -4.282  18.008
  569    HA   ARG  72           HA       ARG  72   1.867  -3.884  15.944
  570   1HB   ARG  72          2HB       ARG  72   0.318  -6.329  16.851
  571   2HB   ARG  72          1HB       ARG  72   1.726  -6.403  15.791
  572   1HG   ARG  72          2HG       ARG  72   3.031  -5.175  17.558
  573   2HG   ARG  72          1HG       ARG  72   1.634  -5.326  18.624
  574   1HD   ARG  72          2HD       ARG  72   1.750  -7.830  18.300
  575   2HD   ARG  72          1HD       ARG  72   3.275  -7.587  17.429
  576    HE   ARG  72           HE       ARG  72   2.900  -6.541  20.214
  577   1HH1  ARG  72          1HH1      ARG  72   5.438  -6.110  18.577
  578   2HH1  ARG  72          2HH1      ARG  72   6.467  -7.346  19.222
  579   1HH2  ARG  72          1HH2      ARG  72   3.876  -9.089  20.728
  580   2HH2  ARG  72          2HH2      ARG  72   5.583  -9.031  20.439
  581    H    LEU  73           HN       LEU  73  -1.230  -5.669  15.555
  582    HA   LEU  73           HA       LEU  73  -1.331  -5.975  12.819
  583   1HB   LEU  73          2HB       LEU  73  -3.033  -6.600  14.595
  584   2HB   LEU  73          1HB       LEU  73  -3.630  -4.941  14.507
  585    HG   LEU  73           HG       LEU  73  -4.284  -5.201  12.221
  586   1HD1  LEU  73          1HD1      LEU  73  -2.601  -7.702  12.361
  587   2HD1  LEU  73          3HD1      LEU  73  -3.815  -7.484  11.101
  588   3HD1  LEU  73          2HD1      LEU  73  -2.468  -6.354  11.233
  589   1HD2  LEU  73          3HD2      LEU  73  -4.950  -7.583  13.950
  590   2HD2  LEU  73          2HD2      LEU  73  -5.955  -6.183  13.575
  591   3HD2  LEU  73          1HD2      LEU  73  -5.643  -7.400  12.338
  592    H    GLU  74           HN       GLU  74  -2.407  -3.038  14.560
  593    HA   GLU  74           HA       GLU  74  -3.120  -1.452  12.336
  594   1HB   GLU  74          2HB       GLU  74  -1.826  -0.725  14.986
  595   2HB   GLU  74          1HB       GLU  74  -2.655   0.419  13.931
  596   1HG   GLU  74          2HG       GLU  74  -3.937  -2.072  15.084
  597   2HG   GLU  74          1HG       GLU  74  -4.110  -0.460  15.775
  598    H    GLU  75           HN       GLU  75   0.090  -1.746  13.938
  599    HA   GLU  75           HA       GLU  75   1.523   0.119  12.389
  600   1HB   GLU  75          2HB       GLU  75   2.261  -1.140  14.429
  601   2HB   GLU  75          1HB       GLU  75   2.442  -2.581  13.430
  602   1HG   GLU  75          2HG       GLU  75   4.068  -1.353  12.000
  603   2HG   GLU  75          1HG       GLU  75   3.924   0.042  13.070
  604    H    ILE  76           HN       ILE  76   1.202  -3.411  11.777
  605    HA   ILE  76           HA       ILE  76   2.581  -3.445   9.285
  606    HB   ILE  76           HB       ILE  76   0.232  -5.125  10.230
  607   1HG1  ILE  76          2HG1      ILE  76   1.896  -5.134  11.962
  608   2HG1  ILE  76          1HG1      ILE  76   2.103  -6.635  11.060
  609   1HG2  ILE  76          1HG2      ILE  76   2.319  -5.410   8.087
  610   2HG2  ILE  76          3HG2      ILE  76   1.695  -6.856   8.880
  611   3HG2  ILE  76          2HG2      ILE  76   0.596  -5.780   8.017
  612   1HD1  ILE  76          3HD1      ILE  76   3.894  -5.532   9.714
  613   2HD1  ILE  76          2HD1      ILE  76   3.725  -4.093  10.719
  614   3HD1  ILE  76          1HD1      ILE  76   4.289  -5.605  11.431
  615    H    ALA  77           HN       ALA  77  -0.767  -2.710  10.113
  616    HA   ALA  77           HA       ALA  77  -1.911  -2.676   7.500
  617   1HB   ALA  77          1HB       ALA  77  -2.618  -2.084  10.159
  618   2HB   ALA  77          2HB       ALA  77  -3.697  -2.081   8.764
  619   3HB   ALA  77          3HB       ALA  77  -2.903  -0.589   9.268
  620    H    GLU  78           HN       GLU  78   0.086  -0.353   9.235
  621    HA   GLU  78           HA       GLU  78  -0.362   1.956   7.621
  622   1HB   GLU  78          2HB       GLU  78   0.794   1.818   9.836
  623   2HB   GLU  78          1HB       GLU  78   2.156   1.029   9.040
  624   1HG   GLU  78          2HG       GLU  78   2.398   3.022   7.559
  625   2HG   GLU  78          1HG       GLU  78   1.104   3.813   8.457
  626    H    ASP  79           HN       ASP  79   1.961  -0.742   7.270
  627    HA   ASP  79           HA       ASP  79   2.257  -0.024   4.398
  628   1HB   ASP  79          2HB       ASP  79   4.819  -0.322   4.858
  629   2HB   ASP  79          1HB       ASP  79   4.056   1.214   5.263
  630    HA   PRO  80           HA       PRO  80   2.392  -4.359   3.762
  631   1HB   PRO  80          2HB       PRO  80   4.559  -4.231   1.875
  632   2HB   PRO  80          1HB       PRO  80   2.830  -4.349   1.539
  633   1HG   PRO  80          2HG       PRO  80   4.544  -2.086   1.144
  634   2HG   PRO  80          1HG       PRO  80   2.809  -2.195   0.837
  635   1HD   PRO  80          2HD       PRO  80   4.158  -0.764   2.962
  636   2HD   PRO  80          1HD       PRO  80   2.414  -0.834   2.621
  637    H    GLY  81           HN       GLY  81   5.783  -3.172   3.505
  638   1HA   GLY  81          1HA       GLY  81   6.551  -4.660   5.900
  639   2HA   GLY  81          2HA       GLY  81   7.637  -3.744   4.854
  640    H    THR  82           HN       THR  82   7.668  -6.617   5.940
  641    HA   THR  82           HA       THR  82   8.669  -7.849   3.466
  642    HB   THR  82           HB       THR  82   9.374  -9.606   5.046
  643    HG1  THR  82          1HG       THR  82   8.434  -9.809   6.918
  644   1HG2  THR  82          3HG2      THR  82   9.943  -6.765   5.373
  645   2HG2  THR  82          2HG2      THR  82  10.213  -7.671   6.862
  646   3HG2  THR  82          1HG2      THR  82  11.051  -8.138   5.382
  647    H    CYS  83           HN       CYS  83   5.745  -7.828   5.298
  648    HA   CYS  83           HA       CYS  83   4.680 -10.410   4.774
  649   1HB   CYS  83          2HB       CYS  83   3.833  -8.485   6.250
  650   2HB   CYS  83          1HB       CYS  83   3.131  -7.810   4.779
  651    H    GLU  84           HN       GLU  84   4.198  -7.388   2.901
  652    HA   GLU  84           HA       GLU  84   2.721  -8.527   0.763
  653   1HB   GLU  84          2HB       GLU  84   3.013  -6.116   1.299
  654   2HB   GLU  84          1HB       GLU  84   4.686  -6.217   0.752
  655   1HG   GLU  84          2HG       GLU  84   3.388  -5.366  -1.093
  656   2HG   GLU  84          1HG       GLU  84   3.800  -7.038  -1.477
  657    H    ILE  85           HN       ILE  85   6.173  -8.636   1.431
  658    HA   ILE  85           HA       ILE  85   6.671  -9.699  -1.319
  659    HB   ILE  85           HB       ILE  85   8.974  -9.108  -0.878
  660   1HG1  ILE  85          2HG1      ILE  85   8.020  -8.748   1.972
  661   2HG1  ILE  85          1HG1      ILE  85   9.228  -9.893   1.388
  662   1HG2  ILE  85          3HG2      ILE  85   6.847  -7.273  -0.785
  663   2HG2  ILE  85          2HG2      ILE  85   7.959  -6.756   0.483
  664   3HG2  ILE  85          1HG2      ILE  85   8.530  -6.918  -1.178
  665   1HD1  ILE  85          2HD1      ILE  85  10.467  -7.748   0.537
  666   2HD1  ILE  85          1HD1      ILE  85   9.444  -6.908   1.702
  667   3HD1  ILE  85          3HD1      ILE  85  10.556  -8.162   2.249
  668    H    CYS  86           HN       CYS  86   5.548 -11.072   1.277
  669    HA   CYS  86           HA       CYS  86   5.780 -13.180   2.326
  670   1HB   CYS  86          2HB       CYS  86   7.236 -13.808  -0.254
  671   2HB   CYS  86          1HB       CYS  86   6.275 -14.911   0.730
  672    H    ALA  87           HN       ALA  87   8.177 -11.155   2.363
  673    HA   ALA  87           HA       ALA  87  10.607 -12.681   2.455
  674   1HB   ALA  87          3HB       ALA  87  10.944 -10.571   4.191
  675   2HB   ALA  87          1HB       ALA  87   9.579 -10.022   3.218
  676   3HB   ALA  87          2HB       ALA  87  11.101 -10.455   2.438
  677    H    TYR  88           HN       TYR  88   7.898 -12.596   4.549
  678    HA   TYR  88           HA       TYR  88   9.351 -14.260   6.542
  679   1HB   TYR  88          2HB       TYR  88   9.432 -11.787   7.132
  680   2HB   TYR  88          1HB       TYR  88   7.676 -11.843   7.282
  681    HD1  TYR  88           HD1      TYR  88  10.753 -13.631   8.472
  682    HD2  TYR  88           HD2      TYR  88   6.726 -12.415   9.337
  683    HE1  TYR  88           HE1      TYR  88  10.980 -14.521  10.775
  684    HE2  TYR  88           HE2      TYR  88   6.951 -13.305  11.640
  685    HH   TYR  88           HH       TYR  88   9.671 -15.241  12.603
  686    H    ALA  89           HN       ALA  89   7.546 -14.912   8.295
  687    HA   ALA  89           HA       ALA  89   5.399 -16.210   6.798
  688   1HB   ALA  89          1HB       ALA  89   6.444 -17.401   8.589
  689   2HB   ALA  89          2HB       ALA  89   4.844 -16.967   9.191
  690   3HB   ALA  89          3HB       ALA  89   6.257 -16.040   9.695
  691    H    ALA  90           HN       ALA  90   5.732 -13.099   7.861
  692    HA   ALA  90           HA       ALA  90   3.350 -12.467   9.263
  693   1HB   ALA  90          1HB       ALA  90   4.759 -10.823   7.142
  694   2HB   ALA  90          3HB       ALA  90   3.838 -10.214   8.518
  695   3HB   ALA  90          2HB       ALA  90   5.377 -11.035   8.780
  696    H    CYS  91           HN       CYS  91   3.944 -12.749   5.758
  697    HA   CYS  91           HA       CYS  91   1.021 -12.340   5.280
  698   1HB   CYS  91          2HB       CYS  91   3.507 -11.576   3.990
  699   2HB   CYS  91          1HB       CYS  91   2.432 -12.390   2.856
  700    H    THR  92           HN       THR  92  -0.173 -14.096   4.673
  701    HA   THR  92           HA       THR  92   1.291 -16.589   3.887
  702    HB   THR  92           HB       THR  92  -0.567 -17.742   4.883
  703    HG1  THR  92          1HG       THR  92  -2.224 -16.471   4.044
  704   1HG2  THR  92          1HG2      THR  92   0.991 -15.901   6.290
  705   2HG2  THR  92          3HG2      THR  92  -0.649 -15.622   6.873
  706   3HG2  THR  92          2HG2      THR  92   0.063 -17.231   6.985
  707    H    GLY  93           HN       GLY  93   0.244 -17.909   2.191
  708   1HA   GLY  93          1HA       GLY  93  -1.670 -16.432   0.457
  709   2HA   GLY  93          2HA       GLY  93  -1.347 -18.164   0.373
  710    H    CYS  94           HN       CYS  94   1.478 -16.309   0.759
  711    HA   CYS  94           HA       CYS  94   2.104 -15.375  -1.819
  712   1HB   CYS  94          2HB       CYS  94   3.356 -15.188   0.407
  713   2HB   CYS  94          1HB       CYS  94   4.010 -16.789   0.062

  No H/Q in entry =         713
  Start of MODEL   25
    1    H1   VAL   1          2H        VAL   1  -2.696 -12.372  -0.216
    2    H2   VAL   1          1H        VAL   1  -2.499 -10.815  -0.868
    3    H3   VAL   1          3H        VAL   1  -1.418 -12.055  -1.290
    4    HA   VAL   1           HA       VAL   1  -0.463 -12.105   0.874
    5    HB   VAL   1           HB       VAL   1  -0.996  -9.336  -0.239
    6   1HG1  VAL   1          2HG1      VAL   1   0.124  -9.938   2.238
    7   2HG1  VAL   1          1HG1      VAL   1   1.523  -9.739   1.183
    8   3HG1  VAL   1          3HG1      VAL   1   0.345  -8.435   1.342
    9   1HG2  VAL   1          2HG2      VAL   1   0.803 -11.591  -0.894
   10   2HG2  VAL   1          1HG2      VAL   1   0.209 -10.289  -1.925
   11   3HG2  VAL   1          3HG2      VAL   1   1.578 -10.007  -0.849
   12    H    THR   2           HN       THR   2  -1.333 -12.472   2.886
   13    HA   THR   2           HA       THR   2  -3.189 -10.394   3.996
   14    HB   THR   2           HB       THR   2  -3.366 -13.411   4.269
   15    HG1  THR   2          1HG       THR   2  -5.095 -11.656   2.882
   16   1HG2  THR   2          3HG2      THR   2  -4.230 -11.995   6.185
   17   2HG2  THR   2          2HG2      THR   2  -5.380 -11.291   5.049
   18   3HG2  THR   2          1HG2      THR   2  -5.442 -13.015   5.412
   19    H    VAL   3           HN       VAL   3  -3.004 -10.061   6.253
   20    HA   VAL   3           HA       VAL   3  -0.431 -10.959   7.437
   21    HB   VAL   3           HB       VAL   3  -1.863  -8.579   7.375
   22   1HG1  VAL   3          1HG1      VAL   3  -2.156  -9.877  10.099
   23   2HG1  VAL   3          3HG1      VAL   3  -2.367  -8.152   9.801
   24   3HG1  VAL   3          2HG1      VAL   3  -3.457  -9.316   9.050
   25   1HG2  VAL   3          2HG2      VAL   3   0.438  -9.648   8.968
   26   2HG2  VAL   3          1HG2      VAL   3   0.429  -8.414   7.709
   27   3HG2  VAL   3          3HG2      VAL   3  -0.165  -8.030   9.324
   28    H    GLN   4           HN       GLN   4  -0.471 -12.779   8.698
   29    HA   GLN   4           HA       GLN   4  -3.039 -13.457  10.093
   30   1HB   GLN   4          2HB       GLN   4  -2.457 -15.742   9.718
   31   2HB   GLN   4          1HB       GLN   4  -2.082 -14.912   8.210
   32   1HG   GLN   4          2HG       GLN   4   0.273 -14.798   8.797
   33   2HG   GLN   4          1HG       GLN   4  -0.056 -15.449  10.402
   34   1HE2  GLN   4          1HE2      GLN   4  -2.170 -17.146   8.550
   35   2HE2  GLN   4          2HE2      GLN   4  -1.198 -18.466   8.113
   36    H    ASP   5           HN       ASP   5  -2.917 -14.138  12.261
   37    HA   ASP   5           HA       ASP   5  -0.453 -13.334  13.718
   38   1HB   ASP   5          2HB       ASP   5  -3.304 -13.992  14.518
   39   2HB   ASP   5          1HB       ASP   5  -2.045 -13.555  15.675
   40    H    GLY   6           HN       GLY   6  -2.836 -15.870  14.424
   41   1HA   GLY   6          1HA       GLY   6  -2.223 -17.922  15.586
   42   2HA   GLY   6          2HA       GLY   6  -0.578 -17.733  14.976
   43    H    ASN   7           HN       ASN   7  -3.279 -19.563  14.589
   44    HA   ASN   7           HA       ASN   7  -2.378 -20.555  11.965
   45   1HB   ASN   7          2HB       ASN   7  -3.091 -21.892  14.044
   46   2HB   ASN   7          1HB       ASN   7  -4.745 -21.444  13.626
   47   1HD2  ASN   7          1HD2      ASN   7  -4.932 -23.918  13.326
   48   2HD2  ASN   7          2HD2      ASN   7  -4.499 -24.555  11.814
   49    H    PHE   8           HN       PHE   8  -4.033 -17.913  12.590
   50    HA   PHE   8           HA       PHE   8  -6.067 -18.375  10.431
   51   1HB   PHE   8          2HB       PHE   8  -7.030 -18.167  12.701
   52   2HB   PHE   8          1HB       PHE   8  -6.201 -16.623  12.910
   53    HD1  PHE   8           HD1      PHE   8  -6.732 -14.726  11.296
   54    HD2  PHE   8           HD2      PHE   8  -9.115 -18.289  11.580
   55    HE1  PHE   8           HE1      PHE   8  -8.612 -13.560  10.172
   56    HE2  PHE   8           HE2      PHE   8 -10.993 -17.123  10.458
   57    HZ   PHE   8           HZ       PHE   8 -10.743 -14.757   9.755
   58    H    SER   9           HN       SER   9  -6.290 -16.632   8.920
   59    HA   SER   9           HA       SER   9  -4.043 -14.657   8.980
   60   1HB   SER   9          2HB       SER   9  -4.322 -16.345   7.110
   61   2HB   SER   9          1HB       SER   9  -5.817 -15.515   6.678
   62    HG   SER   9           HG       SER   9  -3.329 -14.195   6.926
   63    H    PHE  10           HN       PHE  10  -4.493 -12.471   8.988
   64    HA   PHE  10           HA       PHE  10  -7.382 -11.661   8.881
   65   1HB   PHE  10          2HB       PHE  10  -5.024 -10.583  10.462
   66   2HB   PHE  10          1HB       PHE  10  -6.636  -9.870  10.473
   67    HD1  PHE  10           HD1      PHE  10  -8.611 -11.434  11.115
   68    HD2  PHE  10           HD2      PHE  10  -4.492 -12.321  11.949
   69    HE1  PHE  10           HE1      PHE  10  -9.312 -13.047  12.865
   70    HE2  PHE  10           HE2      PHE  10  -5.193 -13.934  13.698
   71    HZ   PHE  10           HZ       PHE  10  -7.604 -14.298  14.156
   72    H    SER  11           HN       SER  11  -7.867 -10.124   7.327
   73    HA   SER  11           HA       SER  11  -5.905  -9.262   5.407
   74   1HB   SER  11          2HB       SER  11  -8.381  -9.566   5.078
   75   2HB   SER  11          1HB       SER  11  -8.642  -8.118   6.049
   76    HG   SER  11           HG       SER  11  -8.248  -7.004   4.337
   77    H    LEU  12           HN       LEU  12  -5.390  -6.913   4.986
   78    HA   LEU  12           HA       LEU  12  -4.842  -5.511   7.560
   79   1HB   LEU  12          2HB       LEU  12  -3.754  -5.248   4.740
   80   2HB   LEU  12          1HB       LEU  12  -3.205  -4.280   6.108
   81    HG   LEU  12           HG       LEU  12  -3.040  -7.296   5.838
   82   1HD1  LEU  12          3HD1      LEU  12  -0.961  -5.092   5.957
   83   2HD1  LEU  12          2HD1      LEU  12  -0.583  -6.812   6.058
   84   3HD1  LEU  12          1HD1      LEU  12  -1.302  -6.152   4.588
   85   1HD2  LEU  12          1HD2      LEU  12  -2.841  -5.461   8.169
   86   2HD2  LEU  12          3HD2      LEU  12  -3.314  -7.159   8.112
   87   3HD2  LEU  12          2HD2      LEU  12  -1.608  -6.716   8.055
   88    H    GLU  13           HN       GLU  13  -7.077  -5.433   5.046
   89    HA   GLU  13           HA       GLU  13  -7.372  -2.599   4.614
   90   1HB   GLU  13          2HB       GLU  13  -8.197  -4.512   3.190
   91   2HB   GLU  13          1HB       GLU  13  -9.430  -4.818   4.412
   92   1HG   GLU  13          2HG       GLU  13 -10.273  -2.502   4.114
   93   2HG   GLU  13          1HG       GLU  13  -9.063  -2.237   2.859
   94    H    SER  14           HN       SER  14  -9.794  -4.684   6.231
   95    HA   SER  14           HA       SER  14 -11.243  -2.773   7.592
   96   1HB   SER  14          2HB       SER  14 -10.299  -5.352   8.866
   97   2HB   SER  14          1HB       SER  14 -11.850  -4.546   9.088
   98    HG   SER  14           HG       SER  14 -12.507  -5.204   7.154
   99    H    VAL  15           HN       VAL  15  -8.360  -4.403   9.001
  100    HA   VAL  15           HA       VAL  15  -8.201  -2.927  11.380
  101    HB   VAL  15           HB       VAL  15  -5.731  -3.483  11.181
  102   1HG1  VAL  15          2HG1      VAL  15  -7.928  -5.049  11.665
  103   2HG1  VAL  15          1HG1      VAL  15  -7.125  -5.959  10.382
  104   3HG1  VAL  15          3HG1      VAL  15  -6.259  -5.585  11.874
  105   1HG2  VAL  15          2HG2      VAL  15  -6.675  -4.548   8.500
  106   2HG2  VAL  15          1HG2      VAL  15  -5.492  -3.267   8.758
  107   3HG2  VAL  15          3HG2      VAL  15  -5.119  -4.922   9.238
  108    H    LYS  16           HN       LYS  16  -6.831  -2.075   8.173
  109    HA   LYS  16           HA       LYS  16  -5.523   0.327   8.942
  110   1HB   LYS  16          2HB       LYS  16  -5.433  -0.845   6.720
  111   2HB   LYS  16          1HB       LYS  16  -7.066  -0.267   6.392
  112   1HG   LYS  16          2HG       LYS  16  -6.253   2.077   6.682
  113   2HG   LYS  16          1HG       LYS  16  -4.616   1.453   6.891
  114   1HD   LYS  16          2HD       LYS  16  -4.846   0.343   4.634
  115   2HD   LYS  16          1HD       LYS  16  -6.368   1.211   4.430
  116   1HE   LYS  16          2HE       LYS  16  -4.007   2.849   5.237
  117   2HE   LYS  16          1HE       LYS  16  -4.029   2.237   3.573
  118   1HZ   LYS  16          3HZ       LYS  16  -6.501   2.972   3.678
  119   2HZ   LYS  16          2HZ       LYS  16  -5.976   3.977   4.944
  120   3HZ   LYS  16          1HZ       LYS  16  -5.305   4.139   3.392
  121    H    LYS  17           HN       LYS  17  -8.809  -0.016   7.529
  122    HA   LYS  17           HA       LYS  17  -9.580   2.673   8.408
  123   1HB   LYS  17          2HB       LYS  17 -11.189   0.366   7.262
  124   2HB   LYS  17          1HB       LYS  17 -11.679   2.059   7.300
  125   1HG   LYS  17          2HG       LYS  17  -9.222   1.010   5.865
  126   2HG   LYS  17          1HG       LYS  17 -10.759   1.372   5.082
  127   1HD   LYS  17          2HD       LYS  17 -10.574   3.721   5.972
  128   2HD   LYS  17          1HD       LYS  17  -8.953   3.321   6.544
  129   1HE   LYS  17          2HE       LYS  17  -8.281   2.758   4.219
  130   2HE   LYS  17          1HE       LYS  17  -9.903   3.204   3.655
  131   1HZ   LYS  17          3HZ       LYS  17  -9.494   5.366   4.914
  132   2HZ   LYS  17          2HZ       LYS  17  -7.854   4.923   4.932
  133   3HZ   LYS  17          1HZ       LYS  17  -8.656   5.162   3.454
  134    H    LEU  18           HN       LEU  18  -8.913   0.247  10.319
  135    HA   LEU  18           HA       LEU  18 -11.312  -0.459  11.719
  136   1HB   LEU  18          2HB       LEU  18  -8.896  -1.418  11.662
  137   2HB   LEU  18          1HB       LEU  18  -8.538  -0.203  12.886
  138    HG   LEU  18           HG       LEU  18 -10.637  -2.382  13.074
  139   1HD1  LEU  18          1HD1      LEU  18  -7.828  -2.253  13.734
  140   2HD1  LEU  18          3HD1      LEU  18  -8.773  -2.410  15.217
  141   3HD1  LEU  18          2HD1      LEU  18  -8.944  -3.605  13.931
  142   1HD2  LEU  18          1HD2      LEU  18  -9.981   0.005  14.790
  143   2HD2  LEU  18          3HD2      LEU  18 -11.562  -0.586  14.277
  144   3HD2  LEU  18          2HD2      LEU  18 -10.656  -1.455  15.515
  145    H    LYS  19           HN       LYS  19  -8.905   2.134  12.184
  146    HA   LYS  19           HA       LYS  19  -9.786   3.214  14.628
  147   1HB   LYS  19          2HB       LYS  19  -7.779   3.856  13.281
  148   2HB   LYS  19          1HB       LYS  19  -8.844   4.683  12.143
  149   1HG   LYS  19          2HG       LYS  19  -9.665   6.122  14.002
  150   2HG   LYS  19          1HG       LYS  19  -8.530   5.327  15.092
  151   1HD   LYS  19          2HD       LYS  19  -6.667   6.042  13.549
  152   2HD   LYS  19          1HD       LYS  19  -7.853   6.985  12.646
  153   1HE   LYS  19          2HE       LYS  19  -8.392   8.267  14.704
  154   2HE   LYS  19          1HE       LYS  19  -7.170   7.336  15.591
  155   1HZ   LYS  19          2HZ       LYS  19  -5.553   8.023  13.852
  156   2HZ   LYS  19          1HZ       LYS  19  -6.736   9.055  13.201
  157   3HZ   LYS  19          3HZ       LYS  19  -6.144   9.326  14.767
  158    H    ASP  20           HN       ASP  20 -11.028   3.848  11.339
  159    HA   ASP  20           HA       ASP  20 -13.534   4.904  12.580
  160   1HB   ASP  20          2HB       ASP  20 -12.018   6.778  12.015
  161   2HB   ASP  20          1HB       ASP  20 -11.914   6.190  10.356
  162    H    LEU  21           HN       LEU  21 -14.270   2.700  11.872
  163    HA   LEU  21           HA       LEU  21 -14.571   2.418   8.911
  164   1HB   LEU  21          2HB       LEU  21 -13.550   0.640  10.459
  165   2HB   LEU  21          1HB       LEU  21 -15.180   0.406  11.090
  166    HG   LEU  21           HG       LEU  21 -14.633   0.316   8.126
  167   1HD1  LEU  21          2HD1      LEU  21 -13.826  -1.611  10.186
  168   2HD1  LEU  21          1HD1      LEU  21 -14.865  -2.319   8.949
  169   3HD1  LEU  21          3HD1      LEU  21 -13.360  -1.525   8.487
  170   1HD2  LEU  21          1HD2      LEU  21 -16.918   0.110   9.811
  171   2HD2  LEU  21          3HD2      LEU  21 -16.843  -0.095   8.061
  172   3HD2  LEU  21          2HD2      LEU  21 -16.632  -1.488   9.120
  173    H    GLN  22           HN       GLN  22 -16.580   2.760   8.019
  174    HA   GLN  22           HA       GLN  22 -18.881   3.191   9.873
  175   1HB   GLN  22          2HB       GLN  22 -18.411   3.913   6.962
  176   2HB   GLN  22          1HB       GLN  22 -19.803   4.410   7.923
  177   1HG   GLN  22          2HG       GLN  22 -18.266   5.557   9.507
  178   2HG   GLN  22          1HG       GLN  22 -16.905   5.111   8.478
  179   1HE2  GLN  22          1HE2      GLN  22 -16.464   6.467   6.696
  180   2HE2  GLN  22          2HE2      GLN  22 -17.467   7.743   6.200
  181    H    GLU  23           HN       GLU  23 -21.048   2.689   8.447
  182    HA   GLU  23           HA       GLU  23 -21.571  -0.022   8.469
  183   1HB   GLU  23          2HB       GLU  23 -22.704   2.389   7.388
  184   2HB   GLU  23          1HB       GLU  23 -22.940   1.079   6.232
  185   1HG   GLU  23          2HG       GLU  23 -23.456   0.004   8.809
  186   2HG   GLU  23          1HG       GLU  23 -24.311   1.544   8.719
  187    HA   PRO  24           HA       PRO  24 -20.351  -0.342   3.758
  188   1HB   PRO  24          2HB       PRO  24 -18.436   1.755   3.294
  189   2HB   PRO  24          1HB       PRO  24 -20.001   1.519   2.516
  190   1HG   PRO  24          2HG       PRO  24 -19.267   3.516   4.453
  191   2HG   PRO  24          1HG       PRO  24 -20.824   3.300   3.651
  192   1HD   PRO  24          2HD       PRO  24 -20.177   2.770   6.402
  193   2HD   PRO  24          1HD       PRO  24 -21.732   2.498   5.582
  194    H    GLN  25           HN       GLN  25 -18.683  -1.798   3.363
  195    HA   GLN  25           HA       GLN  25 -16.806  -2.493   5.359
  196   1HB   GLN  25          2HB       GLN  25 -16.819  -2.937   2.359
  197   2HB   GLN  25          1HB       GLN  25 -15.808  -3.833   3.493
  198   1HG   GLN  25          2HG       GLN  25 -17.808  -4.656   4.656
  199   2HG   GLN  25          1HG       GLN  25 -18.839  -3.719   3.576
  200   1HE2  GLN  25          1HE2      GLN  25 -19.089  -6.561   3.724
  201   2HE2  GLN  25          2HE2      GLN  25 -18.567  -7.228   2.253
  202    H    GLU  26           HN       GLU  26 -16.446  -0.362   2.542
  203    HA   GLU  26           HA       GLU  26 -14.151   0.968   3.789
  204   1HB   GLU  26          2HB       GLU  26 -13.819  -1.314   2.091
  205   2HB   GLU  26          1HB       GLU  26 -13.198   0.100   1.239
  206   1HG   GLU  26          2HG       GLU  26 -12.493  -0.298   4.131
  207   2HG   GLU  26          1HG       GLU  26 -11.633  -1.221   2.899
  208    HA   PRO  27           HA       PRO  27 -16.566   3.808   1.161
  209   1HB   PRO  27          2HB       PRO  27 -15.175   5.917   2.537
  210   2HB   PRO  27          1HB       PRO  27 -16.863   5.431   2.715
  211   1HG   PRO  27          2HG       PRO  27 -14.712   5.043   4.576
  212   2HG   PRO  27          1HG       PRO  27 -16.396   4.543   4.749
  213   1HD   PRO  27          2HD       PRO  27 -14.087   2.870   4.271
  214   2HD   PRO  27          1HD       PRO  27 -15.782   2.366   4.466
  215    H    ARG  28           HN       ARG  28 -13.129   3.575   1.819
  216    HA   ARG  28           HA       ARG  28 -12.568   4.850  -0.840
  217   1HB   ARG  28          2HB       ARG  28 -11.095   5.039   1.806
  218   2HB   ARG  28          1HB       ARG  28 -10.451   5.653   0.283
  219   1HG   ARG  28          2HG       ARG  28 -12.483   7.082   0.044
  220   2HG   ARG  28          1HG       ARG  28 -13.026   6.527   1.627
  221   1HD   ARG  28          2HD       ARG  28 -10.910   7.420   2.627
  222   2HD   ARG  28          1HD       ARG  28 -10.471   8.066   1.033
  223    HE   ARG  28           HE       ARG  28 -12.657   9.358   1.143
  224   1HH1  ARG  28          1HH1      ARG  28 -10.427   9.750   3.431
  225   2HH1  ARG  28          2HH1      ARG  28 -11.487  10.169   4.736
  226   1HH2  ARG  28          1HH2      ARG  28 -14.364   9.194   3.063
  227   2HH2  ARG  28          2HH2      ARG  28 -13.716   9.854   4.527
  228    H    VAL  29           HN       VAL  29 -11.097   3.713  -2.136
  229    HA   VAL  29           HA       VAL  29  -9.887   1.236  -0.949
  230    HB   VAL  29           HB       VAL  29 -11.054   1.632  -3.723
  231   1HG1  VAL  29          3HG1      VAL  29  -9.360  -0.376  -2.536
  232   2HG1  VAL  29          2HG1      VAL  29 -10.923  -1.088  -2.939
  233   3HG1  VAL  29          1HG1      VAL  29  -9.970  -0.286  -4.189
  234   1HG2  VAL  29          1HG2      VAL  29 -12.538   1.542  -1.475
  235   2HG2  VAL  29          3HG2      VAL  29 -13.059   0.786  -2.980
  236   3HG2  VAL  29          2HG2      VAL  29 -12.300  -0.188  -1.721
  237    H    GLY  30           HN       GLY  30  -7.742   0.848  -1.550
  238   1HA   GLY  30          1HA       GLY  30  -5.785   2.508  -2.040
  239   2HA   GLY  30          2HA       GLY  30  -6.549   2.626  -3.625
  240    H    LYS  31           HN       LYS  31  -4.584   1.723  -4.571
  241    HA   LYS  31           HA       LYS  31  -4.681  -1.070  -5.090
  242   1HB   LYS  31          2HB       LYS  31  -2.423   0.950  -5.282
  243   2HB   LYS  31          1HB       LYS  31  -2.423  -0.626  -6.073
  244   1HG   LYS  31          2HG       LYS  31  -4.521   0.014  -7.264
  245   2HG   LYS  31          1HG       LYS  31  -4.419   1.614  -6.530
  246   1HD   LYS  31          2HD       LYS  31  -2.190   1.929  -7.588
  247   2HD   LYS  31          1HD       LYS  31  -2.358   0.356  -8.367
  248   1HE   LYS  31          2HE       LYS  31  -3.597   1.281 -10.025
  249   2HE   LYS  31          1HE       LYS  31  -4.733   1.951  -8.840
  250   1HZ   LYS  31          1HZ       LYS  31  -3.078   3.708  -8.386
  251   2HZ   LYS  31          3HZ       LYS  31  -2.107   3.104  -9.638
  252   3HZ   LYS  31          2HZ       LYS  31  -3.638   3.751  -9.988
  253    H    LEU  32           HN       LEU  32  -2.520   0.771  -2.899
  254    HA   LEU  32           HA       LEU  32  -1.916  -1.822  -1.509
  255   1HB   LEU  32          2HB       LEU  32  -0.103  -0.694  -2.942
  256   2HB   LEU  32          1HB       LEU  32  -0.090   0.580  -1.723
  257    HG   LEU  32           HG       LEU  32   0.506  -1.003   0.013
  258   1HD1  LEU  32          1HD1      LEU  32  -0.377  -2.932  -2.043
  259   2HD1  LEU  32          3HD1      LEU  32   1.066  -3.415  -1.151
  260   3HD1  LEU  32          2HD1      LEU  32  -0.428  -3.059  -0.285
  261   1HD2  LEU  32          1HD2      LEU  32   2.216  -0.176  -1.848
  262   2HD2  LEU  32          3HD2      LEU  32   2.714  -1.332  -0.615
  263   3HD2  LEU  32          2HD2      LEU  32   2.280  -1.896  -2.228
  264    H    ARG  33           HN       ARG  33  -2.194  -1.791   0.713
  265    HA   ARG  33           HA       ARG  33  -3.347   0.657   1.917
  266   1HB   ARG  33          2HB       ARG  33  -2.938  -2.190   2.897
  267   2HB   ARG  33          1HB       ARG  33  -3.841  -0.949   3.767
  268   1HG   ARG  33          2HG       ARG  33  -5.341  -0.719   1.775
  269   2HG   ARG  33          1HG       ARG  33  -4.489  -2.069   1.024
  270   1HD   ARG  33          2HD       ARG  33  -5.908  -2.205   3.707
  271   2HD   ARG  33          1HD       ARG  33  -6.562  -2.831   2.182
  272    HE   ARG  33           HE       ARG  33  -4.126  -3.869   3.568
  273   1HH1  ARG  33          1HH1      ARG  33  -4.136  -4.006   0.517
  274   2HH1  ARG  33          2HH1      ARG  33  -4.758  -5.601   0.259
  275   1HH2  ARG  33          1HH2      ARG  33  -5.959  -5.943   3.494
  276   2HH2  ARG  33          2HH2      ARG  33  -5.790  -6.699   1.945
  277    H    ASN  34           HN       ASN  34  -1.864   2.098   2.741
  278    HA   ASN  34           HA       ASN  34   0.324   1.009   4.459
  279   1HB   ASN  34          2HB       ASN  34   0.611   3.140   2.318
  280   2HB   ASN  34          1HB       ASN  34   1.907   2.494   3.324
  281   1HD2  ASN  34          1HD2      ASN  34   1.377   2.343   0.279
  282   2HD2  ASN  34          2HD2      ASN  34   1.506   0.686  -0.072
  283    H    PHE  35           HN       PHE  35  -2.330   2.916   4.351
  284    HA   PHE  35           HA       PHE  35  -1.174   5.128   5.993
  285   1HB   PHE  35          2HB       PHE  35  -3.840   4.700   4.607
  286   2HB   PHE  35          1HB       PHE  35  -3.432   6.139   5.542
  287    HD1  PHE  35           HD1      PHE  35  -1.679   7.694   4.771
  288    HD2  PHE  35           HD2      PHE  35  -2.839   4.280   2.438
  289    HE1  PHE  35           HE1      PHE  35  -0.529   8.654   2.794
  290    HE2  PHE  35           HE2      PHE  35  -1.689   5.239   0.462
  291    HZ   PHE  35           HZ       PHE  35  -0.534   7.426   0.639
  292    H    ALA  36           HN       ALA  36  -1.448   2.464   7.146
  293    HA   ALA  36           HA       ALA  36  -3.759   1.907   8.608
  294   1HB   ALA  36          3HB       ALA  36  -0.971   1.793   9.774
  295   2HB   ALA  36          2HB       ALA  36  -2.297   0.653  10.007
  296   3HB   ALA  36          1HB       ALA  36  -1.464   0.730   8.455
  297    HA   PRO  37           HA       PRO  37  -4.396   5.272  11.379
  298   1HB   PRO  37          2HB       PRO  37  -5.232   3.540  13.513
  299   2HB   PRO  37          1HB       PRO  37  -6.246   4.457  12.397
  300   1HG   PRO  37          2HG       PRO  37  -5.872   1.626  12.483
  301   2HG   PRO  37          1HG       PRO  37  -6.820   2.551  11.318
  302   1HD   PRO  37          2HD       PRO  37  -4.262   1.222  10.915
  303   2HD   PRO  37          1HD       PRO  37  -5.285   2.036   9.709
  304    H    ILE  38           HN       ILE  38  -1.944   3.072  11.728
  305    HA   ILE  38           HA       ILE  38   0.065   3.205  12.970
  306    HB   ILE  38           HB       ILE  38  -1.242   5.480  14.473
  307   1HG1  ILE  38          2HG1      ILE  38   0.382   6.244  12.167
  308   2HG1  ILE  38          1HG1      ILE  38  -1.064   5.351  11.694
  309   1HG2  ILE  38          2HG2      ILE  38   0.970   4.637  15.232
  310   2HG2  ILE  38          1HG2      ILE  38   1.618   4.942  13.620
  311   3HG2  ILE  38          3HG2      ILE  38   1.066   6.289  14.618
  312   1HD1  ILE  38          3HD1      ILE  38  -1.405   7.454  13.775
  313   2HD1  ILE  38          2HD1      ILE  38  -1.091   8.008  12.132
  314   3HD1  ILE  38          1HD1      ILE  38  -2.488   6.984  12.466
  315    HA   PRO  39           HA       PRO  39  -1.257   0.612  16.308
  316   1HB   PRO  39          2HB       PRO  39   1.410   0.648  17.382
  317   2HB   PRO  39          1HB       PRO  39   0.640  -0.621  16.428
  318   1HG   PRO  39          2HG       PRO  39   2.727   1.162  15.611
  319   2HG   PRO  39          1HG       PRO  39   1.927  -0.078  14.643
  320   1HD   PRO  39          2HD       PRO  39   1.647   2.801  14.451
  321   2HD   PRO  39          1HD       PRO  39   0.898   1.552  13.428
  322    H    GLY  40           HN       GLY  40  -1.019   0.656  18.799
  323   1HA   GLY  40          1HA       GLY  40  -0.360   3.328  19.891
  324   2HA   GLY  40          2HA       GLY  40  -0.699   1.882  20.841
  325    H    GLU  41           HN       GLU  41  -3.100   1.496  18.894
  326    HA   GLU  41           HA       GLU  41  -4.932   3.306  20.420
  327   1HB   GLU  41          2HB       GLU  41  -6.183   3.523  18.215
  328   2HB   GLU  41          1HB       GLU  41  -4.602   4.303  18.251
  329   1HG   GLU  41          2HG       GLU  41  -3.587   2.421  17.097
  330   2HG   GLU  41          1HG       GLU  41  -5.094   1.508  17.184
  331    HA   PRO  42           HA       PRO  42  -6.157  -1.175  20.689
  332   1HB   PRO  42          2HB       PRO  42  -7.164  -0.488  23.296
  333   2HB   PRO  42          1HB       PRO  42  -5.782  -1.513  22.898
  334   1HG   PRO  42          2HG       PRO  42  -5.752   1.129  24.025
  335   2HG   PRO  42          1HG       PRO  42  -4.372   0.102  23.630
  336   1HD   PRO  42          2HD       PRO  42  -5.255   2.487  22.263
  337   2HD   PRO  42          1HD       PRO  42  -3.866   1.450  21.861
  338    H    VAL  43           HN       VAL  43  -8.196  -1.729  19.952
  339    HA   VAL  43           HA       VAL  43 -10.416   0.235  20.422
  340    HB   VAL  43           HB       VAL  43 -11.222  -0.479  18.198
  341   1HG1  VAL  43          3HG1      VAL  43  -9.380   1.312  18.573
  342   2HG1  VAL  43          2HG1      VAL  43  -8.275   0.101  17.922
  343   3HG1  VAL  43          1HG1      VAL  43  -9.610   0.696  16.936
  344   1HG2  VAL  43          2HG2      VAL  43  -9.250  -2.588  18.676
  345   2HG2  VAL  43          1HG2      VAL  43 -10.613  -2.564  17.558
  346   3HG2  VAL  43          3HG2      VAL  43  -9.071  -1.848  17.086
  347    H    VAL  44           HN       VAL  44 -10.135  -1.640  22.384
  348    HA   VAL  44           HA       VAL  44 -12.592  -3.204  22.101
  349    HB   VAL  44           HB       VAL  44 -10.989  -4.605  20.894
  350   1HG1  VAL  44          1HG1      VAL  44  -9.227  -3.687  22.987
  351   2HG1  VAL  44          3HG1      VAL  44  -9.233  -5.451  22.944
  352   3HG1  VAL  44          2HG1      VAL  44  -8.821  -4.535  21.494
  353   1HG2  VAL  44          1HG2      VAL  44 -12.289  -5.387  23.381
  354   2HG2  VAL  44          3HG2      VAL  44 -12.189  -6.259  21.853
  355   3HG2  VAL  44          2HG2      VAL  44 -10.889  -6.402  23.035
  356    HA   PRO  45           HA       PRO  45 -10.913  -1.928  26.384
  357   1HB   PRO  45          2HB       PRO  45 -13.291  -0.332  26.668
  358   2HB   PRO  45          1HB       PRO  45 -11.615   0.220  26.607
  359   1HG   PRO  45          2HG       PRO  45 -13.650   0.508  24.594
  360   2HG   PRO  45          1HG       PRO  45 -11.979   1.077  24.541
  361   1HD   PRO  45          2HD       PRO  45 -13.149  -1.102  23.057
  362   2HD   PRO  45          1HD       PRO  45 -11.461  -0.542  23.026
  363    H    ILE  46           HN       ILE  46 -14.132  -2.622  25.066
  364    HA   ILE  46           HA       ILE  46 -14.605  -4.498  27.354
  365    HB   ILE  46           HB       ILE  46 -16.843  -3.648  27.547
  366   1HG1  ILE  46          2HG1      ILE  46 -16.265  -1.954  25.097
  367   2HG1  ILE  46          1HG1      ILE  46 -17.211  -3.443  25.077
  368   1HG2  ILE  46          1HG2      ILE  46 -14.933  -2.221  28.449
  369   2HG2  ILE  46          3HG2      ILE  46 -15.131  -1.207  27.019
  370   3HG2  ILE  46          2HG2      ILE  46 -16.453  -1.368  28.176
  371   1HD1  ILE  46          1HD1      ILE  46 -18.046  -1.491  27.129
  372   2HD1  ILE  46          3HD1      ILE  46 -18.272  -0.946  25.468
  373   3HD1  ILE  46          2HD1      ILE  46 -19.028  -2.441  26.014
  374    H    LEU  47           HN       LEU  47 -14.968  -3.732  23.947
  375    HA   LEU  47           HA       LEU  47 -15.136  -6.436  23.096
  376   1HB   LEU  47          2HB       LEU  47 -17.514  -5.372  24.289
  377   2HB   LEU  47          1HB       LEU  47 -17.829  -5.642  22.575
  378    HG   LEU  47           HG       LEU  47 -16.608  -7.693  24.446
  379   1HD1  LEU  47          1HD1      LEU  47 -19.251  -6.861  24.363
  380   2HD1  LEU  47          3HD1      LEU  47 -19.237  -8.251  23.278
  381   3HD1  LEU  47          2HD1      LEU  47 -18.691  -8.428  24.946
  382   1HD2  LEU  47          1HD2      LEU  47 -16.974  -7.493  21.543
  383   2HD2  LEU  47          3HD2      LEU  47 -15.963  -8.598  22.473
  384   3HD2  LEU  47          2HD2      LEU  47 -17.671  -8.963  22.225
  385    H    CYS  48           HN       CYS  48 -13.786  -5.460  21.459
  386    HA   CYS  48           HA       CYS  48 -13.324  -4.210  19.487
  387   1HB   CYS  48          2HB       CYS  48 -16.080  -5.396  19.027
  388   2HB   CYS  48          1HB       CYS  48 -14.996  -4.843  17.751
  389    H    SER  49           HN       SER  49 -13.357  -1.998  20.128
  390    HA   SER  49           HA       SER  49 -15.599  -0.418  20.765
  391   1HB   SER  49          2HB       SER  49 -13.109   0.352  19.210
  392   2HB   SER  49          1HB       SER  49 -14.122   1.445  20.155
  393    HG   SER  49           HG       SER  49 -12.315   0.765  21.347
  394    H    ASN  50           HN       ASN  50 -14.088  -0.862  17.553
  395    HA   ASN  50           HA       ASN  50 -16.098   0.646  16.129
  396   1HB   ASN  50          2HB       ASN  50 -13.750  -1.094  15.588
  397   2HB   ASN  50          1HB       ASN  50 -14.912  -0.931  14.272
  398   1HD2  ASN  50          1HD2      ASN  50 -15.478   1.384  13.650
  399   2HD2  ASN  50          2HD2      ASN  50 -14.286   2.575  13.832
  400    HA   PRO  51           HA       PRO  51 -19.116  -2.708  16.441
  401   1HB   PRO  51          2HB       PRO  51 -20.857  -1.061  14.851
  402   2HB   PRO  51          1HB       PRO  51 -20.958  -1.392  16.583
  403   1HG   PRO  51          2HG       PRO  51 -20.203   1.060  15.308
  404   2HG   PRO  51          1HG       PRO  51 -20.254   0.714  17.038
  405   1HD   PRO  51          2HD       PRO  51 -17.923   1.041  15.347
  406   2HD   PRO  51          1HD       PRO  51 -17.977   0.764  17.103
  407    H    ASN  52           HN       ASN  52 -17.539  -1.270  13.771
  408    HA   ASN  52           HA       ASN  52 -18.496  -3.475  11.979
  409   1HB   ASN  52          2HB       ASN  52 -17.924  -0.564  11.345
  410   2HB   ASN  52          1HB       ASN  52 -18.346  -1.786  10.146
  411   1HD2  ASN  52          1HD2      ASN  52 -20.268  -3.136  12.008
  412   2HD2  ASN  52          2HD2      ASN  52 -21.626  -2.123  12.081
  413    H    PHE  53           HN       PHE  53 -16.074  -3.348  13.684
  414    HA   PHE  53           HA       PHE  53 -13.813  -2.771  11.900
  415   1HB   PHE  53          2HB       PHE  53 -12.536  -3.192  13.814
  416   2HB   PHE  53          1HB       PHE  53 -14.077  -2.746  14.546
  417    HD1  PHE  53           HD1      PHE  53 -15.784  -5.004  14.371
  418    HD2  PHE  53           HD2      PHE  53 -11.529  -4.949  14.965
  419    HE1  PHE  53           HE1      PHE  53 -15.908  -7.220  15.472
  420    HE2  PHE  53           HE2      PHE  53 -11.655  -7.174  16.068
  421    HZ   PHE  53           HZ       PHE  53 -13.845  -8.302  16.319
  422    HA   PRO  54           HA       PRO  54 -13.149  -6.687  10.031
  423   1HB   PRO  54          2HB       PRO  54 -10.823  -7.563  11.493
  424   2HB   PRO  54          1HB       PRO  54 -10.889  -6.849   9.880
  425   1HG   PRO  54          2HG       PRO  54  -9.950  -5.638  12.318
  426   2HG   PRO  54          1HG       PRO  54  -9.986  -4.937  10.699
  427   1HD   PRO  54          2HD       PRO  54 -11.643  -4.253  12.943
  428   2HD   PRO  54          1HD       PRO  54 -11.728  -3.587  11.295
  429    H    GLU  55           HN       GLU  55 -15.134  -7.234  11.410
  430    HA   GLU  55           HA       GLU  55 -15.317  -8.448  13.850
  431   1HB   GLU  55          2HB       GLU  55 -17.120  -8.086  12.169
  432   2HB   GLU  55          1HB       GLU  55 -16.535  -9.495  11.277
  433   1HG   GLU  55          2HG       GLU  55 -16.899 -10.891  13.315
  434   2HG   GLU  55          1HG       GLU  55 -17.579  -9.479  14.127
  435    H    GLU  56           HN       GLU  56 -13.694  -9.799  11.034
  436    HA   GLU  56           HA       GLU  56 -13.522 -12.530  11.806
  437   1HB   GLU  56          2HB       GLU  56 -11.561 -10.674  10.410
  438   2HB   GLU  56          1HB       GLU  56 -11.420 -12.431  10.424
  439   1HG   GLU  56          2HG       GLU  56 -13.692 -12.577   9.391
  440   2HG   GLU  56          1HG       GLU  56 -13.721 -10.817   9.284
  441    H    LEU  57           HN       LEU  57 -12.257  -9.695  13.245
  442    HA   LEU  57           HA       LEU  57 -10.088 -11.085  14.708
  443   1HB   LEU  57          2HB       LEU  57 -11.138  -8.236  14.668
  444   2HB   LEU  57          1HB       LEU  57  -9.720  -8.760  15.576
  445    HG   LEU  57           HG       LEU  57 -10.079  -8.936  12.568
  446   1HD1  LEU  57          1HD1      LEU  57  -9.557  -6.682  13.851
  447   2HD1  LEU  57          3HD1      LEU  57  -7.939  -7.373  13.973
  448   3HD1  LEU  57          2HD1      LEU  57  -8.664  -7.099  12.389
  449   1HD2  LEU  57          1HD2      LEU  57  -8.765 -10.815  13.492
  450   2HD2  LEU  57          3HD2      LEU  57  -7.742  -9.718  12.565
  451   3HD2  LEU  57          2HD2      LEU  57  -7.718  -9.670  14.328
  452    H    LYS  58           HN       LYS  58 -13.254 -11.300  15.026
  453    HA   LYS  58           HA       LYS  58 -14.244 -10.377  17.406
  454   1HB   LYS  58          2HB       LYS  58 -15.035 -12.193  15.646
  455   2HB   LYS  58          1HB       LYS  58 -14.408 -13.321  16.846
  456   1HG   LYS  58          2HG       LYS  58 -15.942 -11.305  18.194
  457   2HG   LYS  58          1HG       LYS  58 -16.908 -11.968  16.875
  458   1HD   LYS  58          2HD       LYS  58 -16.256 -14.278  17.708
  459   2HD   LYS  58          1HD       LYS  58 -15.576 -13.490  19.130
  460   1HE   LYS  58          2HE       LYS  58 -18.090 -12.333  18.946
  461   2HE   LYS  58          1HE       LYS  58 -18.387 -14.015  18.471
  462   1HZ   LYS  58          1HZ       LYS  58 -16.860 -14.586  20.418
  463   2HZ   LYS  58          3HZ       LYS  58 -17.116 -12.993  20.944
  464   3HZ   LYS  58          2HZ       LYS  58 -18.431 -14.061  20.797
  465    HA   PRO  59           HA       PRO  59 -11.822 -13.873  19.819
  466   1HB   PRO  59          2HB       PRO  59  -9.385 -14.227  18.325
  467   2HB   PRO  59          1HB       PRO  59 -10.611 -15.438  18.709
  468   1HG   PRO  59          2HG       PRO  59 -10.076 -14.169  16.166
  469   2HG   PRO  59          1HG       PRO  59 -11.233 -15.453  16.527
  470   1HD   PRO  59          2HD       PRO  59 -11.822 -12.738  15.890
  471   2HD   PRO  59          1HD       PRO  59 -12.972 -13.983  16.420
  472    H    LEU  60           HN       LEU  60  -9.828 -11.667  17.791
  473    HA   LEU  60           HA       LEU  60  -7.903 -10.840  19.615
  474   1HB   LEU  60          2HB       LEU  60  -8.307 -10.138  17.202
  475   2HB   LEU  60          1HB       LEU  60  -9.513  -9.008  17.817
  476    HG   LEU  60           HG       LEU  60  -7.602  -8.201  19.397
  477   1HD1  LEU  60          3HD1      LEU  60  -6.223 -10.011  17.489
  478   2HD1  LEU  60          2HD1      LEU  60  -5.434  -8.464  17.803
  479   3HD1  LEU  60          1HD1      LEU  60  -5.781  -9.565  19.137
  480   1HD2  LEU  60          1HD2      LEU  60  -8.612  -7.288  17.022
  481   2HD2  LEU  60          3HD2      LEU  60  -7.419  -6.420  17.988
  482   3HD2  LEU  60          2HD2      LEU  60  -6.897  -7.424  16.636
  483    H    CYS  61           HN       CYS  61 -11.156  -9.373  19.221
  484    HA   CYS  61           HA       CYS  61 -10.925  -7.614  21.476
  485   1HB   CYS  61          2HB       CYS  61 -13.284  -8.812  19.996
  486   2HB   CYS  61          1HB       CYS  61 -13.406  -7.468  21.129
  487    H    LYS  62           HN       LYS  62 -11.994 -10.965  21.137
  488    HA   LYS  62           HA       LYS  62 -13.180 -11.097  23.806
  489   1HB   LYS  62          2HB       LYS  62 -13.863 -12.450  21.807
  490   2HB   LYS  62          1HB       LYS  62 -12.313 -13.286  21.891
  491   1HG   LYS  62          2HG       LYS  62 -12.856 -14.010  24.208
  492   2HG   LYS  62          1HG       LYS  62 -14.430 -13.228  24.064
  493   1HD   LYS  62          2HD       LYS  62 -14.955 -14.689  22.125
  494   2HD   LYS  62          1HD       LYS  62 -13.399 -15.494  22.328
  495   1HE   LYS  62          2HE       LYS  62 -15.291 -15.320  24.667
  496   2HE   LYS  62          1HE       LYS  62 -15.521 -16.574  23.434
  497   1HZ   LYS  62          1HZ       LYS  62 -12.922 -15.996  24.759
  498   2HZ   LYS  62          3HZ       LYS  62 -13.978 -17.222  25.266
  499   3HZ   LYS  62          2HZ       LYS  62 -13.275 -17.294  23.722
  500    H    GLU  63           HN       GLU  63 -10.008 -10.789  22.898
  501    HA   GLU  63           HA       GLU  63  -9.085 -12.458  25.214
  502   1HB   GLU  63          2HB       GLU  63  -7.083 -12.943  23.872
  503   2HB   GLU  63          1HB       GLU  63  -8.530 -13.401  22.974
  504   1HG   GLU  63          2HG       GLU  63  -8.401 -11.486  21.577
  505   2HG   GLU  63          1HG       GLU  63  -7.265 -10.677  22.655
  506    HA   PRO  64           HA       PRO  64  -7.465  -8.679  26.805
  507   1HB   PRO  64          2HB       PRO  64  -5.264 -10.055  28.044
  508   2HB   PRO  64          1HB       PRO  64  -6.757  -9.491  28.796
  509   1HG   PRO  64          2HG       PRO  64  -5.985 -12.196  28.241
  510   2HG   PRO  64          1HG       PRO  64  -7.492 -11.629  28.965
  511   1HD   PRO  64          2HD       PRO  64  -7.085 -12.713  26.311
  512   2HD   PRO  64          1HD       PRO  64  -8.611 -12.184  27.058
  513    H    ASN  65           HN       ASN  65  -5.638 -10.845  24.797
  514    HA   ASN  65           HA       ASN  65  -3.255  -9.160  24.595
  515   1HB   ASN  65          2HB       ASN  65  -4.306 -11.458  22.912
  516   2HB   ASN  65          1HB       ASN  65  -2.662 -10.822  22.861
  517   1HD2  ASN  65          1HD2      ASN  65  -2.186 -10.436  25.636
  518   2HD2  ASN  65          2HD2      ASN  65  -2.203 -11.945  26.414
  519    H    ALA  66           HN       ALA  66  -6.395  -8.987  23.283
  520    HA   ALA  66           HA       ALA  66  -6.121  -8.177  20.627
  521   1HB   ALA  66          1HB       ALA  66  -8.036  -8.097  22.653
  522   2HB   ALA  66          2HB       ALA  66  -8.289  -7.599  20.980
  523   3HB   ALA  66          3HB       ALA  66  -7.839  -6.405  22.198
  524    H    GLN  67           HN       GLN  67  -5.567  -6.233  23.558
  525    HA   GLN  67           HA       GLN  67  -5.023  -3.735  22.318
  526   1HB   GLN  67          2HB       GLN  67  -5.404  -4.227  24.747
  527   2HB   GLN  67          1HB       GLN  67  -3.798  -4.951  24.815
  528   1HG   GLN  67          2HG       GLN  67  -2.797  -2.809  24.117
  529   2HG   GLN  67          1HG       GLN  67  -4.402  -2.083  24.028
  530   1HE2  GLN  67          1HE2      GLN  67  -2.719  -0.820  25.772
  531   2HE2  GLN  67          2HE2      GLN  67  -3.087  -1.211  27.382
  532    H    GLU  68           HN       GLU  68  -2.815  -6.434  23.138
  533    HA   GLU  68           HA       GLU  68  -0.474  -5.055  22.049
  534   1HB   GLU  68          2HB       GLU  68  -1.062  -7.890  22.955
  535   2HB   GLU  68          1HB       GLU  68   0.542  -7.327  22.488
  536   1HG   GLU  68          2HG       GLU  68   0.379  -5.546  24.235
  537   2HG   GLU  68          1HG       GLU  68  -1.164  -6.233  24.744
  538    H    ILE  69           HN       ILE  69  -2.674  -7.643  20.983
  539    HA   ILE  69           HA       ILE  69  -1.273  -8.276  18.543
  540    HB   ILE  69           HB       ILE  69  -4.210  -8.510  19.281
  541   1HG1  ILE  69          2HG1      ILE  69  -1.951 -10.504  19.641
  542   2HG1  ILE  69          1HG1      ILE  69  -2.656  -9.543  20.941
  543   1HG2  ILE  69          3HG2      ILE  69  -2.481  -9.963  17.252
  544   2HG2  ILE  69          2HG2      ILE  69  -4.130 -10.425  17.670
  545   3HG2  ILE  69          1HG2      ILE  69  -3.819  -8.872  16.897
  546   1HD1  ILE  69          1HD1      ILE  69  -4.870 -10.547  20.475
  547   2HD1  ILE  69          3HD1      ILE  69  -4.153 -11.521  19.192
  548   3HD1  ILE  69          2HD1      ILE  69  -3.678 -11.785  20.869
  549    H    LEU  70           HN       LEU  70  -4.100  -6.191  19.225
  550    HA   LEU  70           HA       LEU  70  -4.692  -5.272  16.650
  551   1HB   LEU  70          2HB       LEU  70  -6.034  -4.715  18.574
  552   2HB   LEU  70          1HB       LEU  70  -4.676  -3.912  19.360
  553    HG   LEU  70           HG       LEU  70  -6.456  -2.428  18.186
  554   1HD1  LEU  70          1HD1      LEU  70  -3.864  -2.017  18.828
  555   2HD1  LEU  70          3HD1      LEU  70  -3.775  -1.771  17.084
  556   3HD1  LEU  70          2HD1      LEU  70  -4.864  -0.784  18.059
  557   1HD2  LEU  70          1HD2      LEU  70  -6.524  -3.776  16.101
  558   2HD2  LEU  70          3HD2      LEU  70  -6.082  -2.098  15.785
  559   3HD2  LEU  70          2HD2      LEU  70  -4.841  -3.351  15.790
  560    H    GLN  71           HN       GLN  71  -2.456  -3.683  18.972
  561    HA   GLN  71           HA       GLN  71  -1.461  -1.626  17.384
  562   1HB   GLN  71          2HB       GLN  71  -0.936  -2.185  19.775
  563   2HB   GLN  71          1HB       GLN  71   0.128  -3.466  19.198
  564   1HG   GLN  71          2HG       GLN  71   1.487  -1.813  17.986
  565   2HG   GLN  71          1HG       GLN  71   0.409  -0.523  18.521
  566   1HE2  GLN  71          1HE2      GLN  71   1.260   0.581  20.281
  567   2HE2  GLN  71          2HE2      GLN  71   2.210  -0.111  21.506
  568    H    ARG  72           HN       ARG  72  -0.127  -4.946  17.565
  569    HA   ARG  72           HA       ARG  72   1.896  -4.696  15.613
  570   1HB   ARG  72          2HB       ARG  72   0.077  -7.016  16.336
  571   2HB   ARG  72          1HB       ARG  72   1.587  -7.176  15.438
  572   1HG   ARG  72          2HG       ARG  72   2.775  -6.094  17.368
  573   2HG   ARG  72          1HG       ARG  72   1.258  -6.130  18.266
  574   1HD   ARG  72          2HD       ARG  72   1.196  -8.636  17.896
  575   2HD   ARG  72          1HD       ARG  72   2.838  -8.510  17.238
  576    HE   ARG  72           HE       ARG  72   2.394  -7.238  19.871
  577   1HH1  ARG  72          1HH1      ARG  72   4.823  -8.582  18.247
  578   2HH1  ARG  72          2HH1      ARG  72   5.246  -9.801  19.402
  579   1HH2  ARG  72          1HH2      ARG  72   2.363  -9.396  21.285
  580   2HH2  ARG  72          2HH2      ARG  72   3.853 -10.263  21.121
  581    H    LEU  73           HN       LEU  73  -1.479  -5.824  15.144
  582    HA   LEU  73           HA       LEU  73  -1.431  -6.207  12.355
  583   1HB   LEU  73          2HB       LEU  73  -3.613  -5.101  14.154
  584   2HB   LEU  73          1HB       LEU  73  -3.879  -5.793  12.553
  585    HG   LEU  73           HG       LEU  73  -2.765  -7.219  14.985
  586   1HD1  LEU  73          2HD1      LEU  73  -5.306  -7.521  13.357
  587   2HD1  LEU  73          1HD1      LEU  73  -4.789  -8.657  14.604
  588   3HD1  LEU  73          3HD1      LEU  73  -5.185  -6.994  15.035
  589   1HD2  LEU  73          3HD2      LEU  73  -2.700  -7.838  12.077
  590   2HD2  LEU  73          2HD2      LEU  73  -1.596  -8.337  13.357
  591   3HD2  LEU  73          1HD2      LEU  73  -3.139  -9.166  13.150
  592    H    GLU  74           HN       GLU  74  -2.365  -3.226  14.121
  593    HA   GLU  74           HA       GLU  74  -2.811  -1.549  11.897
  594   1HB   GLU  74          2HB       GLU  74  -1.568  -0.883  14.587
  595   2HB   GLU  74          1HB       GLU  74  -2.405   0.250  13.525
  596   1HG   GLU  74          2HG       GLU  74  -4.435  -1.283  13.700
  597   2HG   GLU  74          1HG       GLU  74  -3.579  -2.119  14.996
  598    H    GLU  75           HN       GLU  75   0.254  -2.366  13.541
  599    HA   GLU  75           HA       GLU  75   1.919  -0.479  12.178
  600   1HB   GLU  75          2HB       GLU  75   2.406  -1.786  14.267
  601   2HB   GLU  75          1HB       GLU  75   2.587  -3.228  13.270
  602   1HG   GLU  75          2HG       GLU  75   4.369  -2.038  11.968
  603   2HG   GLU  75          1HG       GLU  75   4.246  -0.695  13.105
  604    H    ILE  76           HN       ILE  76   1.442  -3.983  11.541
  605    HA   ILE  76           HA       ILE  76   3.014  -4.073   9.155
  606    HB   ILE  76           HB       ILE  76   0.580  -5.707   9.949
  607   1HG1  ILE  76          2HG1      ILE  76   2.083  -5.733  11.811
  608   2HG1  ILE  76          1HG1      ILE  76   2.389  -7.228  10.925
  609   1HG2  ILE  76          2HG2      ILE  76   2.924  -6.192   8.097
  610   2HG2  ILE  76          1HG2      ILE  76   1.907  -7.499   8.705
  611   3HG2  ILE  76          3HG2      ILE  76   1.206  -6.232   7.699
  612   1HD1  ILE  76          1HD1      ILE  76   4.138  -5.629   9.652
  613   2HD1  ILE  76          3HD1      ILE  76   4.102  -4.803  11.211
  614   3HD1  ILE  76          2HD1      ILE  76   4.566  -6.503  11.123
  615    H    ALA  77           HN       ALA  77  -0.415  -3.403   9.715
  616    HA   ALA  77           HA       ALA  77  -1.271  -3.288   6.984
  617   1HB   ALA  77          2HB       ALA  77  -2.187  -2.493   9.668
  618   2HB   ALA  77          3HB       ALA  77  -3.103  -3.204   8.339
  619   3HB   ALA  77          1HB       ALA  77  -2.815  -1.464   8.381
  620    H    GLU  78           HN       GLU  78   0.470  -1.041   9.030
  621    HA   GLU  78           HA       GLU  78   0.037   1.369   7.537
  622   1HB   GLU  78          2HB       GLU  78   0.911   1.165   9.861
  623   2HB   GLU  78          1HB       GLU  78   2.402   0.478   9.215
  624   1HG   GLU  78          2HG       GLU  78   2.740   2.557   7.881
  625   2HG   GLU  78          1HG       GLU  78   1.298   3.243   8.630
  626    H    ASP  79           HN       ASP  79   2.448  -1.246   7.190
  627    HA   ASP  79           HA       ASP  79   3.030  -0.327   4.457
  628   1HB   ASP  79          2HB       ASP  79   4.415   0.801   6.572
  629   2HB   ASP  79          1HB       ASP  79   5.494  -0.491   6.043
  630    HA   PRO  80           HA       PRO  80   3.472  -4.864   4.926
  631   1HB   PRO  80          2HB       PRO  80   2.836  -4.990   2.124
  632   2HB   PRO  80          1HB       PRO  80   1.824  -5.468   3.488
  633   1HG   PRO  80          2HG       PRO  80   1.448  -3.237   1.759
  634   2HG   PRO  80          1HG       PRO  80   0.514  -3.639   3.200
  635   1HD   PRO  80          2HD       PRO  80   2.481  -1.509   2.838
  636   2HD   PRO  80          1HD       PRO  80   1.383  -1.786   4.210
  637    H    GLY  81           HN       GLY  81   5.728  -3.122   4.630
  638   1HA   GLY  81          1HA       GLY  81   7.950  -3.247   3.876
  639   2HA   GLY  81          2HA       GLY  81   7.226  -3.309   2.270
  640    H    THR  82           HN       THR  82   8.020  -5.397   5.054
  641    HA   THR  82           HA       THR  82   9.261  -7.404   3.393
  642    HB   THR  82           HB       THR  82   9.373  -8.617   5.543
  643    HG1  THR  82          1HG       THR  82   7.655  -8.336   6.714
  644   1HG2  THR  82          2HG2      THR  82  10.799  -6.543   5.012
  645   2HG2  THR  82          1HG2      THR  82   9.735  -5.679   6.123
  646   3HG2  THR  82          3HG2      THR  82  10.700  -7.036   6.704
  647    H    CYS  83           HN       CYS  83   6.299  -7.592   5.390
  648    HA   CYS  83           HA       CYS  83   5.266 -10.026   4.704
  649   1HB   CYS  83          2HB       CYS  83   3.526  -9.101   5.809
  650   2HB   CYS  83          1HB       CYS  83   4.357  -7.556   5.705
  651    H    GLU  84           HN       GLU  84   4.932  -7.090   2.666
  652    HA   GLU  84           HA       GLU  84   3.467  -8.342   0.555
  653   1HB   GLU  84          2HB       GLU  84   3.757  -5.894   0.981
  654   2HB   GLU  84          1HB       GLU  84   5.430  -6.032   0.444
  655   1HG   GLU  84          2HG       GLU  84   4.579  -6.938  -1.743
  656   2HG   GLU  84          1HG       GLU  84   2.940  -6.591  -1.195
  657    H    ILE  85           HN       ILE  85   6.893  -8.354   1.348
  658    HA   ILE  85           HA       ILE  85   7.484  -9.631  -1.294
  659    HB   ILE  85           HB       ILE  85   9.805  -8.991  -0.770
  660   1HG1  ILE  85          2HG1      ILE  85   8.621  -7.957   1.821
  661   2HG1  ILE  85          1HG1      ILE  85   9.701  -9.343   1.670
  662   1HG2  ILE  85          2HG2      ILE  85   8.180  -7.325  -1.759
  663   2HG2  ILE  85          1HG2      ILE  85   7.933  -6.695  -0.131
  664   3HG2  ILE  85          3HG2      ILE  85   9.524  -6.592  -0.883
  665   1HD1  ILE  85          3HD1      ILE  85  11.003  -7.262   0.314
  666   2HD1  ILE  85          2HD1      ILE  85  10.339  -6.508   1.763
  667   3HD1  ILE  85          1HD1      ILE  85  11.417  -7.895   1.907
  668    H    CYS  86           HN       CYS  86   6.335 -10.798   1.378
  669    HA   CYS  86           HA       CYS  86   6.524 -12.864   2.505
  670   1HB   CYS  86          2HB       CYS  86   7.451 -13.118  -0.186
  671   2HB   CYS  86          1HB       CYS  86   8.493 -14.105   0.838
  672    H    ALA  87           HN       ALA  87   8.721 -10.581   2.681
  673    HA   ALA  87           HA       ALA  87  11.213 -11.775   3.363
  674   1HB   ALA  87          2HB       ALA  87  10.932  -9.561   5.000
  675   2HB   ALA  87          3HB       ALA  87   9.761  -9.242   3.720
  676   3HB   ALA  87          1HB       ALA  87  11.457  -9.513   3.317
  677    H    TYR  88           HN       TYR  88   8.178 -11.631   5.087
  678    HA   TYR  88           HA       TYR  88   9.413 -13.191   7.314
  679   1HB   TYR  88          2HB       TYR  88   7.843 -10.613   7.429
  680   2HB   TYR  88          1HB       TYR  88   7.930 -11.694   8.821
  681    HD1  TYR  88           HD1      TYR  88  10.508 -12.674   9.097
  682    HD2  TYR  88           HD2      TYR  88   9.360  -8.854   7.502
  683    HE1  TYR  88           HE1      TYR  88  12.745 -11.766   9.662
  684    HE2  TYR  88           HE2      TYR  88  11.598  -7.947   8.068
  685    HH   TYR  88           HH       TYR  88  14.146 -10.035   9.393
  686    H    ALA  89           HN       ALA  89   7.616 -14.173   8.706
  687    HA   ALA  89           HA       ALA  89   5.636 -15.441   6.971
  688   1HB   ALA  89          2HB       ALA  89   6.513 -16.855   8.600
  689   2HB   ALA  89          3HB       ALA  89   5.025 -16.340   9.393
  690   3HB   ALA  89          1HB       ALA  89   6.559 -15.583   9.819
  691    H    ALA  90           HN       ALA  90   5.648 -12.431   8.270
  692    HA   ALA  90           HA       ALA  90   3.141 -12.200   9.633
  693   1HB   ALA  90          3HB       ALA  90   5.247 -10.536   8.517
  694   2HB   ALA  90          1HB       ALA  90   4.190 -10.213   9.892
  695   3HB   ALA  90          2HB       ALA  90   3.662  -9.805   8.259
  696    H    CYS  91           HN       CYS  91   3.998 -11.814   6.178
  697    HA   CYS  91           HA       CYS  91   1.133 -11.447   5.494
  698   1HB   CYS  91          2HB       CYS  91   3.750 -10.809   4.394
  699   2HB   CYS  91          1HB       CYS  91   2.691 -11.514   3.177
  700    H    THR  92           HN       THR  92  -0.082 -13.090   4.618
  701    HA   THR  92           HA       THR  92   1.333 -15.638   3.908
  702    HB   THR  92           HB       THR  92  -0.686 -16.740   4.709
  703    HG1  THR  92          1HG       THR  92  -2.446 -15.642   4.475
  704   1HG2  THR  92          2HG2      THR  92   0.580 -14.637   6.420
  705   2HG2  THR  92          1HG2      THR  92  -0.808 -15.517   7.057
  706   3HG2  THR  92          3HG2      THR  92   0.643 -16.393   6.571
  707    H    GLY  93           HN       GLY  93   0.486 -16.799   2.060
  708   1HA   GLY  93          1HA       GLY  93  -1.398 -15.277   0.325
  709   2HA   GLY  93          2HA       GLY  93  -1.039 -16.998   0.168
  710    H    CYS  94           HN       CYS  94   1.770 -15.246   0.797
  711    HA   CYS  94           HA       CYS  94   2.665 -13.965  -1.444
  712   1HB   CYS  94          2HB       CYS  94   3.759 -15.460   0.722
  713   2HB   CYS  94          1HB       CYS  94   4.636 -15.928  -0.734

  No H/Q in entry =         713
  Start of MODEL   26
    1    H1   VAL   1          2H        VAL   1  -2.821 -11.785  -0.244
    2    H2   VAL   1          1H        VAL   1  -1.505 -12.409  -1.117
    3    H3   VAL   1          3H        VAL   1  -2.419 -13.431  -0.120
    4    HA   VAL   1           HA       VAL   1  -0.692 -13.067   1.304
    5    HB   VAL   1           HB       VAL   1   0.349 -11.709  -0.563
    6   1HG1  VAL   1          1HG1      VAL   1  -1.700 -10.011  -0.244
    7   2HG1  VAL   1          3HG1      VAL   1  -0.546  -9.232   0.839
    8   3HG1  VAL   1          2HG1      VAL   1  -0.136  -9.474  -0.858
    9   1HG2  VAL   1          2HG2      VAL   1   0.817 -11.605   2.266
   10   2HG2  VAL   1          1HG2      VAL   1   1.992 -11.480   0.957
   11   3HG2  VAL   1          3HG2      VAL   1   1.200 -10.030   1.572
   12    H    THR   2           HN       THR   2  -1.741 -12.966   3.268
   13    HA   THR   2           HA       THR   2  -3.109 -10.388   3.974
   14    HB   THR   2           HB       THR   2  -3.860 -13.227   4.738
   15    HG1  THR   2          1HG       THR   2  -4.687 -11.473   2.706
   16   1HG2  THR   2          2HG2      THR   2  -4.817 -10.526   5.500
   17   2HG2  THR   2          1HG2      THR   2  -6.068 -11.716   5.142
   18   3HG2  THR   2          3HG2      THR   2  -4.877 -12.040   6.402
   19    H    VAL   3           HN       VAL   3  -3.017  -9.830   6.244
   20    HA   VAL   3           HA       VAL   3  -0.571 -10.822   7.598
   21    HB   VAL   3           HB       VAL   3  -2.479  -8.508   7.853
   22   1HG1  VAL   3          2HG1      VAL   3  -2.111  -9.402  10.151
   23   2HG1  VAL   3          1HG1      VAL   3  -0.371  -9.262   9.899
   24   3HG1  VAL   3          3HG1      VAL   3  -1.377  -7.815   9.924
   25   1HG2  VAL   3          3HG2      VAL   3   0.534  -8.773   7.627
   26   2HG2  VAL   3          2HG2      VAL   3  -0.568  -8.311   6.330
   27   3HG2  VAL   3          1HG2      VAL   3  -0.339  -7.244   7.715
   28    H    GLN   4           HN       GLN   4  -0.828 -12.566   8.969
   29    HA   GLN   4           HA       GLN   4  -3.389 -12.720  10.528
   30   1HB   GLN   4          2HB       GLN   4  -3.346 -15.108  10.175
   31   2HB   GLN   4          1HB       GLN   4  -3.102 -14.340   8.606
   32   1HG   GLN   4          2HG       GLN   4  -0.870 -14.955   8.500
   33   2HG   GLN   4          1HG       GLN   4  -0.687 -14.995  10.253
   34   1HE2  GLN   4          1HE2      GLN   4  -0.111 -17.151  10.688
   35   2HE2  GLN   4          2HE2      GLN   4  -0.984 -18.503  10.147
   36    H    ASP   5           HN       ASP   5  -3.068 -14.318  12.429
   37    HA   ASP   5           HA       ASP   5  -0.350 -14.060  13.652
   38   1HB   ASP   5          2HB       ASP   5  -3.047 -13.307  14.814
   39   2HB   ASP   5          1HB       ASP   5  -1.578 -13.439  15.780
   40    H    GLY   6           HN       GLY   6  -3.603 -15.347  14.350
   41   1HA   GLY   6          1HA       GLY   6  -4.005 -17.344  15.676
   42   2HA   GLY   6          2HA       GLY   6  -2.340 -17.840  15.367
   43    H    ASN   7           HN       ASN   7  -5.102 -19.102  14.782
   44    HA   ASN   7           HA       ASN   7  -4.343 -20.230  12.194
   45   1HB   ASN   7          2HB       ASN   7  -6.192 -21.717  12.648
   46   2HB   ASN   7          1HB       ASN   7  -5.361 -21.432  14.175
   47   1HD2  ASN   7          1HD2      ASN   7  -6.945 -21.287  15.772
   48   2HD2  ASN   7          2HD2      ASN   7  -8.381 -20.392  15.640
   49    H    PHE   8           HN       PHE   8  -5.804 -17.366  12.964
   50    HA   PHE   8           HA       PHE   8  -7.681 -17.452  10.629
   51   1HB   PHE   8          2HB       PHE   8  -7.476 -15.640  13.055
   52   2HB   PHE   8          1HB       PHE   8  -8.684 -15.471  11.782
   53    HD1  PHE   8           HD1      PHE   8 -10.071 -17.638  11.229
   54    HD2  PHE   8           HD2      PHE   8  -7.947 -16.994  14.906
   55    HE1  PHE   8           HE1      PHE   8 -11.486 -19.341  12.344
   56    HE2  PHE   8           HE2      PHE   8  -9.362 -18.697  16.022
   57    HZ   PHE   8           HZ       PHE   8 -11.131 -19.871  14.740
   58    H    SER   9           HN       SER   9  -7.584 -15.686   9.109
   59    HA   SER   9           HA       SER   9  -4.958 -14.239   9.100
   60   1HB   SER   9          2HB       SER   9  -6.850 -15.008   6.852
   61   2HB   SER   9          1HB       SER   9  -5.275 -14.242   6.648
   62    HG   SER   9           HG       SER   9  -5.539 -16.687   6.538
   63    H    PHE  10           HN       PHE  10  -5.000 -12.003   9.015
   64    HA   PHE  10           HA       PHE  10  -7.691 -10.691   8.811
   65   1HB   PHE  10          2HB       PHE  10  -5.190  -9.750  10.248
   66   2HB   PHE  10          1HB       PHE  10  -6.814  -9.078  10.398
   67    HD1  PHE  10           HD1      PHE  10  -8.362 -11.684  10.404
   68    HD2  PHE  10           HD2      PHE  10  -4.810 -10.475  12.498
   69    HE1  PHE  10           HE1      PHE  10  -8.869 -13.313  12.205
   70    HE2  PHE  10           HE2      PHE  10  -5.318 -12.103  14.298
   71    HZ   PHE  10           HZ       PHE  10  -7.346 -13.522  14.151
   72    H    SER  11           HN       SER  11  -7.914  -9.315   7.081
   73    HA   SER  11           HA       SER  11  -5.738  -8.842   5.229
   74   1HB   SER  11          2HB       SER  11  -8.469  -7.540   5.505
   75   2HB   SER  11          1HB       SER  11  -7.468  -7.551   4.053
   76    HG   SER  11           HG       SER  11  -8.012  -9.549   3.674
   77    H    LEU  12           HN       LEU  12  -5.063  -6.593   4.586
   78    HA   LEU  12           HA       LEU  12  -4.354  -5.019   6.971
   79   1HB   LEU  12          2HB       LEU  12  -3.788  -4.657   4.010
   80   2HB   LEU  12          1HB       LEU  12  -2.970  -3.811   5.322
   81    HG   LEU  12           HG       LEU  12  -2.994  -6.821   4.954
   82   1HD1  LEU  12          2HD1      LEU  12  -1.684  -5.317   3.274
   83   2HD1  LEU  12          1HD1      LEU  12  -0.602  -5.019   4.635
   84   3HD1  LEU  12          3HD1      LEU  12  -0.836  -6.662   4.037
   85   1HD2  LEU  12          2HD2      LEU  12  -2.376  -5.124   7.179
   86   2HD2  LEU  12          1HD2      LEU  12  -2.237  -6.879   7.072
   87   3HD2  LEU  12          3HD2      LEU  12  -0.879  -5.857   6.603
   88    H    GLU  13           HN       GLU  13  -6.648  -4.854   4.341
   89    HA   GLU  13           HA       GLU  13  -7.193  -2.043   4.355
   90   1HB   GLU  13          2HB       GLU  13  -7.863  -3.749   2.641
   91   2HB   GLU  13          1HB       GLU  13  -9.057  -4.369   3.782
   92   1HG   GLU  13          2HG       GLU  13 -10.108  -2.118   3.866
   93   2HG   GLU  13          1HG       GLU  13  -8.940  -1.546   2.675
   94    H    SER  14           HN       SER  14  -9.380  -4.565   5.675
   95    HA   SER  14           HA       SER  14 -11.048  -2.991   7.223
   96   1HB   SER  14          2HB       SER  14  -9.833  -5.581   8.208
   97   2HB   SER  14          1HB       SER  14 -11.474  -4.988   8.466
   98    HG   SER  14           HG       SER  14 -11.867  -5.244   6.263
   99    H    VAL  15           HN       VAL  15  -7.948  -4.394   8.352
  100    HA   VAL  15           HA       VAL  15  -7.935  -3.181  10.922
  101    HB   VAL  15           HB       VAL  15  -5.773  -4.070   8.997
  102   1HG1  VAL  15          2HG1      VAL  15  -5.236  -2.349  10.982
  103   2HG1  VAL  15          1HG1      VAL  15  -5.271  -3.838  11.929
  104   3HG1  VAL  15          3HG1      VAL  15  -4.144  -3.676  10.582
  105   1HG2  VAL  15          2HG2      VAL  15  -7.526  -5.314  11.036
  106   2HG2  VAL  15          1HG2      VAL  15  -6.756  -6.036   9.617
  107   3HG2  VAL  15          3HG2      VAL  15  -5.830  -5.807  11.102
  108    H    LYS  16           HN       LYS  16  -6.454  -2.074   7.844
  109    HA   LYS  16           HA       LYS  16  -5.360   0.370   8.744
  110   1HB   LYS  16          2HB       LYS  16  -4.859  -0.258   6.542
  111   2HB   LYS  16          1HB       LYS  16  -6.528  -0.699   6.186
  112   1HG   LYS  16          2HG       LYS  16  -6.153   1.325   4.992
  113   2HG   LYS  16          1HG       LYS  16  -7.068   1.804   6.420
  114   1HD   LYS  16          2HD       LYS  16  -4.909   2.364   7.554
  115   2HD   LYS  16          1HD       LYS  16  -4.064   1.999   6.051
  116   1HE   LYS  16          2HE       LYS  16  -6.315   3.836   5.639
  117   2HE   LYS  16          1HE       LYS  16  -5.093   4.490   6.744
  118   1HZ   LYS  16          2HZ       LYS  16  -3.582   3.282   4.873
  119   2HZ   LYS  16          1HZ       LYS  16  -4.878   3.839   3.928
  120   3HZ   LYS  16          3HZ       LYS  16  -3.973   4.934   4.854
  121    H    LYS  17           HN       LYS  17  -8.571  -0.172   7.265
  122    HA   LYS  17           HA       LYS  17  -9.566   2.445   8.140
  123   1HB   LYS  17          2HB       LYS  17 -10.847   0.009   6.858
  124   2HB   LYS  17          1HB       LYS  17 -11.654   1.562   7.069
  125   1HG   LYS  17          2HG       LYS  17  -9.846   2.643   5.734
  126   2HG   LYS  17          1HG       LYS  17  -9.136   1.052   5.457
  127   1HD   LYS  17          2HD       LYS  17 -11.289   0.319   4.419
  128   2HD   LYS  17          1HD       LYS  17 -11.902   1.961   4.608
  129   1HE   LYS  17          2HE       LYS  17  -9.592   2.537   3.348
  130   2HE   LYS  17          1HE       LYS  17  -9.869   0.911   2.695
  131   1HZ   LYS  17          2HZ       LYS  17 -12.166   2.716   2.908
  132   2HZ   LYS  17          1HZ       LYS  17 -11.048   3.029   1.667
  133   3HZ   LYS  17          3HZ       LYS  17 -11.831   1.527   1.742
  134    H    LEU  18           HN       LEU  18  -8.824  -0.052  10.005
  135    HA   LEU  18           HA       LEU  18 -11.236  -0.819  11.348
  136   1HB   LEU  18          2HB       LEU  18  -8.824  -1.771  11.312
  137   2HB   LEU  18          1HB       LEU  18  -8.488  -0.587  12.576
  138    HG   LEU  18           HG       LEU  18 -10.772  -2.567  12.741
  139   1HD1  LEU  18          2HD1      LEU  18  -7.865  -2.819  13.468
  140   2HD1  LEU  18          1HD1      LEU  18  -9.080  -3.619  14.465
  141   3HD1  LEU  18          3HD1      LEU  18  -8.942  -4.020  12.754
  142   1HD2  LEU  18          3HD2      LEU  18  -9.389  -0.699  14.676
  143   2HD2  LEU  18          2HD2      LEU  18 -11.098  -0.742  14.242
  144   3HD2  LEU  18          1HD2      LEU  18 -10.404  -2.034  15.223
  145    H    LYS  19           HN       LYS  19  -8.786   1.689  12.120
  146    HA   LYS  19           HA       LYS  19 -10.003   2.669  14.498
  147   1HB   LYS  19          2HB       LYS  19  -7.706   3.153  13.565
  148   2HB   LYS  19          1HB       LYS  19  -8.470   4.219  12.386
  149   1HG   LYS  19          2HG       LYS  19  -9.423   5.567  14.226
  150   2HG   LYS  19          1HG       LYS  19  -8.653   4.503  15.402
  151   1HD   LYS  19          2HD       LYS  19  -6.434   5.083  14.387
  152   2HD   LYS  19          1HD       LYS  19  -7.257   6.251  13.354
  153   1HE   LYS  19          2HE       LYS  19  -8.150   6.733  16.018
  154   2HE   LYS  19          1HE       LYS  19  -6.381   6.602  16.069
  155   1HZ   LYS  19          3HZ       LYS  19  -6.352   8.052  14.053
  156   2HZ   LYS  19          2HZ       LYS  19  -8.018   8.307  14.262
  157   3HZ   LYS  19          1HZ       LYS  19  -6.920   8.831  15.448
  158    H    ASP  20           HN       ASP  20 -10.385   3.754  11.108
  159    HA   ASP  20           HA       ASP  20 -12.735   5.403  11.941
  160   1HB   ASP  20          2HB       ASP  20 -11.028   5.283   9.432
  161   2HB   ASP  20          1HB       ASP  20 -12.379   6.393   9.661
  162    H    LEU  21           HN       LEU  21 -14.725   4.491  11.594
  163    HA   LEU  21           HA       LEU  21 -14.939   2.198   9.699
  164   1HB   LEU  21          2HB       LEU  21 -15.655   2.163  12.158
  165   2HB   LEU  21          1HB       LEU  21 -16.973   3.235  11.685
  166    HG   LEU  21           HG       LEU  21 -17.644   1.534   9.958
  167   1HD1  LEU  21          3HD1      LEU  21 -15.143   0.488  10.429
  168   2HD1  LEU  21          2HD1      LEU  21 -16.178  -0.616  11.334
  169   3HD1  LEU  21          1HD1      LEU  21 -16.450  -0.366   9.610
  170   1HD2  LEU  21          1HD2      LEU  21 -17.956   1.447  12.810
  171   2HD2  LEU  21          3HD2      LEU  21 -19.097   0.932  11.567
  172   3HD2  LEU  21          2HD2      LEU  21 -17.904  -0.205  12.196
  173    H    GLN  22           HN       GLN  22 -16.040   2.422   7.797
  174    HA   GLN  22           HA       GLN  22 -17.955   4.692   7.476
  175   1HB   GLN  22          2HB       GLN  22 -16.850   5.293   5.373
  176   2HB   GLN  22          1HB       GLN  22 -15.663   5.313   6.677
  177   1HG   GLN  22          2HG       GLN  22 -15.115   2.903   6.035
  178   2HG   GLN  22          1HG       GLN  22 -16.081   3.168   4.583
  179   1HE2  GLN  22          1HE2      GLN  22 -14.434   3.294   2.989
  180   2HE2  GLN  22          2HE2      GLN  22 -13.173   4.428   3.029
  181    H    GLU  23           HN       GLU  23 -19.111   4.363   5.234
  182    HA   GLU  23           HA       GLU  23 -20.702   2.153   5.110
  183   1HB   GLU  23          2HB       GLU  23 -19.864   4.235   3.379
  184   2HB   GLU  23          1HB       GLU  23 -19.799   2.748   2.434
  185   1HG   GLU  23          2HG       GLU  23 -22.030   3.148   2.142
  186   2HG   GLU  23          1HG       GLU  23 -22.165   2.400   3.734
  187    HA   PRO  24           HA       PRO  24 -17.344  -0.927   4.798
  188   1HB   PRO  24          2HB       PRO  24 -19.367  -2.871   5.435
  189   2HB   PRO  24          1HB       PRO  24 -18.056  -2.287   6.463
  190   1HG   PRO  24          2HG       PRO  24 -20.860  -1.729   6.702
  191   2HG   PRO  24          1HG       PRO  24 -19.545  -1.125   7.715
  192   1HD   PRO  24          2HD       PRO  24 -21.107   0.333   5.763
  193   2HD   PRO  24          1HD       PRO  24 -19.809   0.950   6.813
  194    H    GLN  25           HN       GLN  25 -16.868  -2.149   2.981
  195    HA   GLN  25           HA       GLN  25 -19.056  -3.161   1.252
  196   1HB   GLN  25          2HB       GLN  25 -16.939  -1.145   0.444
  197   2HB   GLN  25          1HB       GLN  25 -17.977  -1.990  -0.704
  198   1HG   GLN  25          2HG       GLN  25 -19.972  -1.052   0.415
  199   2HG   GLN  25          1HG       GLN  25 -18.929  -0.199   1.553
  200   1HE2  GLN  25          1HE2      GLN  25 -20.713   1.228  -0.181
  201   2HE2  GLN  25          2HE2      GLN  25 -19.785   2.108  -1.297
  202    H    GLU  26           HN       GLU  26 -15.532  -2.672   1.470
  203    HA   GLU  26           HA       GLU  26 -13.747  -4.122   0.900
  204   1HB   GLU  26          2HB       GLU  26 -15.441  -5.142   2.846
  205   2HB   GLU  26          1HB       GLU  26 -15.264  -6.492   1.725
  206   1HG   GLU  26          2HG       GLU  26 -12.825  -6.327   1.869
  207   2HG   GLU  26          1HG       GLU  26 -12.962  -4.914   2.917
  208    HA   PRO  27           HA       PRO  27 -16.267  -5.658  -2.850
  209   1HB   PRO  27          2HB       PRO  27 -14.658  -3.910  -4.464
  210   2HB   PRO  27          1HB       PRO  27 -16.399  -3.831  -4.184
  211   1HG   PRO  27          2HG       PRO  27 -14.367  -2.069  -3.173
  212   2HG   PRO  27          1HG       PRO  27 -16.108  -1.990  -2.896
  213   1HD   PRO  27          2HD       PRO  27 -14.049  -2.753  -1.020
  214   2HD   PRO  27          1HD       PRO  27 -15.806  -2.673  -0.745
  215    H    ARG  28           HN       ARG  28 -12.870  -4.566  -2.806
  216    HA   ARG  28           HA       ARG  28 -11.952  -7.332  -3.347
  217   1HB   ARG  28          2HB       ARG  28 -11.488  -4.945  -5.166
  218   2HB   ARG  28          1HB       ARG  28 -10.660  -6.495  -5.333
  219   1HG   ARG  28          2HG       ARG  28 -12.883  -7.610  -5.566
  220   2HG   ARG  28          1HG       ARG  28 -13.652  -6.023  -5.517
  221   1HD   ARG  28          2HD       ARG  28 -12.230  -5.365  -7.508
  222   2HD   ARG  28          1HD       ARG  28 -11.715  -7.059  -7.613
  223    HE   ARG  28           HE       ARG  28 -14.213  -6.108  -8.558
  224   1HH1  ARG  28          1HH1      ARG  28 -12.657  -8.940  -7.909
  225   2HH1  ARG  28          2HH1      ARG  28 -14.068  -9.867  -7.524
  226   1HH2  ARG  28          1HH2      ARG  28 -16.175  -7.115  -7.428
  227   2HH2  ARG  28          2HH2      ARG  28 -16.060  -8.834  -7.252
  228    H    VAL  29           HN       VAL  29  -9.432  -7.302  -3.378
  229    HA   VAL  29           HA       VAL  29  -8.401  -6.223  -0.985
  230    HB   VAL  29           HB       VAL  29  -7.034  -6.939  -3.599
  231   1HG1  VAL  29          2HG1      VAL  29  -5.651  -5.574  -1.979
  232   2HG1  VAL  29          1HG1      VAL  29  -5.861  -6.875  -0.807
  233   3HG1  VAL  29          3HG1      VAL  29  -5.004  -7.179  -2.318
  234   1HG2  VAL  29          3HG2      VAL  29  -7.899  -8.495  -1.164
  235   2HG2  VAL  29          2HG2      VAL  29  -8.212  -8.851  -2.862
  236   3HG2  VAL  29          1HG2      VAL  29  -6.594  -9.076  -2.198
  237    H    GLY  30           HN       GLY  30  -7.801  -4.159  -0.434
  238   1HA   GLY  30          1HA       GLY  30  -7.589  -1.819  -0.708
  239   2HA   GLY  30          2HA       GLY  30  -7.976  -2.021  -2.417
  240    H    LYS  31           HN       LYS  31  -6.303  -1.823  -3.839
  241    HA   LYS  31           HA       LYS  31  -3.632  -2.749  -3.413
  242   1HB   LYS  31          2HB       LYS  31  -4.861  -0.674  -5.254
  243   2HB   LYS  31          1HB       LYS  31  -3.207  -1.263  -5.419
  244   1HG   LYS  31          2HG       LYS  31  -4.106  -3.591  -5.602
  245   2HG   LYS  31          1HG       LYS  31  -5.739  -2.925  -5.575
  246   1HD   LYS  31          2HD       LYS  31  -5.181  -1.562  -7.584
  247   2HD   LYS  31          1HD       LYS  31  -3.591  -2.324  -7.632
  248   1HE   LYS  31          2HE       LYS  31  -5.385  -4.475  -7.454
  249   2HE   LYS  31          1HE       LYS  31  -6.136  -3.351  -8.604
  250   1HZ   LYS  31          1HZ       LYS  31  -3.235  -3.866  -8.722
  251   2HZ   LYS  31          3HZ       LYS  31  -4.304  -4.977  -9.430
  252   3HZ   LYS  31          2HZ       LYS  31  -4.284  -3.363  -9.961
  253    H    LEU  32           HN       LEU  32  -5.214   0.331  -2.717
  254    HA   LEU  32           HA       LEU  32  -2.621   1.545  -1.901
  255   1HB   LEU  32          2HB       LEU  32  -5.433   2.675  -2.079
  256   2HB   LEU  32          1HB       LEU  32  -3.950   3.607  -1.867
  257    HG   LEU  32           HG       LEU  32  -4.702   1.918  -4.271
  258   1HD1  LEU  32          3HD1      LEU  32  -5.269   4.589  -3.600
  259   2HD1  LEU  32          2HD1      LEU  32  -3.926   4.675  -4.740
  260   3HD1  LEU  32          1HD1      LEU  32  -5.417   3.849  -5.193
  261   1HD2  LEU  32          2HD2      LEU  32  -2.294   1.732  -3.746
  262   2HD2  LEU  32          1HD2      LEU  32  -2.550   2.673  -5.216
  263   3HD2  LEU  32          3HD2      LEU  32  -2.170   3.491  -3.700
  264    H    ARG  33           HN       ARG  33  -2.099   1.779   0.237
  265    HA   ARG  33           HA       ARG  33  -3.995   2.090   2.379
  266   1HB   ARG  33          2HB       ARG  33  -3.776  -0.167   3.357
  267   2HB   ARG  33          1HB       ARG  33  -4.440  -0.271   1.726
  268   1HG   ARG  33          2HG       ARG  33  -2.075  -0.651   0.897
  269   2HG   ARG  33          1HG       ARG  33  -1.581  -0.793   2.584
  270   1HD   ARG  33          2HD       ARG  33  -3.282  -2.636   2.860
  271   2HD   ARG  33          1HD       ARG  33  -3.567  -2.558   1.111
  272    HE   ARG  33           HE       ARG  33  -0.995  -3.347   2.404
  273   1HH1  ARG  33          1HH1      ARG  33  -2.982  -4.774   0.378
  274   2HH1  ARG  33          2HH1      ARG  33  -1.953  -4.820  -1.014
  275   1HH2  ARG  33          1HH2      ARG  33   0.352  -2.580   0.287
  276   2HH2  ARG  33          2HH2      ARG  33  -0.066  -3.578  -1.066
  277    H    ASN  34           HN       ASN  34  -1.774   3.554   1.870
  278    HA   ASN  34           HA       ASN  34   0.481   2.492   3.477
  279   1HB   ASN  34          2HB       ASN  34  -0.011   4.637   1.468
  280   2HB   ASN  34          1HB       ASN  34   1.301   4.896   2.617
  281   1HD2  ASN  34          1HD2      ASN  34   1.986   4.540  -0.073
  282   2HD2  ASN  34          2HD2      ASN  34   2.709   3.020  -0.289
  283    H    PHE  35           HN       PHE  35  -0.950   5.745   3.266
  284    HA   PHE  35           HA       PHE  35  -0.205   6.596   5.860
  285   1HB   PHE  35          2HB       PHE  35  -2.514   7.356   4.048
  286   2HB   PHE  35          1HB       PHE  35  -2.019   8.297   5.454
  287    HD1  PHE  35           HD1      PHE  35   0.218   9.375   5.523
  288    HD2  PHE  35           HD2      PHE  35  -1.211   7.343   2.020
  289    HE1  PHE  35           HE1      PHE  35   1.983  10.471   4.168
  290    HE2  PHE  35           HE2      PHE  35   0.553   8.437   0.665
  291    HZ   PHE  35           HZ       PHE  35   2.150  10.001   1.739
  292    H    ALA  36           HN       ALA  36  -0.753   4.607   7.156
  293    HA   ALA  36           HA       ALA  36  -3.574   3.949   7.589
  294   1HB   ALA  36          3HB       ALA  36  -2.110   2.143   7.855
  295   2HB   ALA  36          2HB       ALA  36  -0.887   3.128   8.658
  296   3HB   ALA  36          1HB       ALA  36  -2.343   2.646   9.529
  297    HA   PRO  37           HA       PRO  37  -4.562   6.690  10.875
  298   1HB   PRO  37          2HB       PRO  37  -5.490   4.646  12.673
  299   2HB   PRO  37          1HB       PRO  37  -6.452   5.688  11.622
  300   1HG   PRO  37          2HG       PRO  37  -5.953   2.880  11.330
  301   2HG   PRO  37          1HG       PRO  37  -6.888   3.928  10.261
  302   1HD   PRO  37          2HD       PRO  37  -4.277   2.763   9.787
  303   2HD   PRO  37          1HD       PRO  37  -5.246   3.773   8.687
  304    H    ILE  38           HN       ILE  38  -2.176   4.325  11.199
  305    HA   ILE  38           HA       ILE  38  -0.326   4.156  12.653
  306    HB   ILE  38           HB       ILE  38  -1.422   6.758  13.757
  307   1HG1  ILE  38          2HG1      ILE  38   0.672   7.053  11.789
  308   2HG1  ILE  38          1HG1      ILE  38  -0.688   6.170  11.093
  309   1HG2  ILE  38          2HG2      ILE  38   1.371   5.589  13.579
  310   2HG2  ILE  38          1HG2      ILE  38   0.989   7.206  14.173
  311   3HG2  ILE  38          3HG2      ILE  38   0.418   5.787  15.050
  312   1HD1  ILE  38          1HD1      ILE  38  -2.214   7.960  11.989
  313   2HD1  ILE  38          3HD1      ILE  38  -0.782   8.869  12.472
  314   3HD1  ILE  38          2HD1      ILE  38  -1.084   8.539  10.765
  315    HA   PRO  39           HA       PRO  39  -2.306   2.072  16.033
  316   1HB   PRO  39          2HB       PRO  39   0.245   1.778  17.327
  317   2HB   PRO  39          1HB       PRO  39  -0.657   0.567  16.414
  318   1HG   PRO  39          2HG       PRO  39   1.746   1.934  15.636
  319   2HG   PRO  39          1HG       PRO  39   0.841   0.726  14.721
  320   1HD   PRO  39          2HD       PRO  39   1.032   3.562  14.209
  321   2HD   PRO  39          1HD       PRO  39   0.124   2.344  13.283
  322    H    GLY  40           HN       GLY  40  -2.549   2.406  18.407
  323   1HA   GLY  40          1HA       GLY  40  -2.072   5.243  19.125
  324   2HA   GLY  40          2HA       GLY  40  -1.437   4.012  20.215
  325    H    GLU  41           HN       GLU  41  -4.256   2.886  18.747
  326    HA   GLU  41           HA       GLU  41  -5.914   3.825  21.068
  327   1HB   GLU  41          2HB       GLU  41  -6.488   3.317  18.149
  328   2HB   GLU  41          1HB       GLU  41  -7.793   3.327  19.336
  329   1HG   GLU  41          2HG       GLU  41  -5.804   5.590  19.201
  330   2HG   GLU  41          1HG       GLU  41  -7.218   5.562  18.146
  331    HA   PRO  42           HA       PRO  42  -5.314  -0.811  21.287
  332   1HB   PRO  42          2HB       PRO  42  -5.327  -0.444  24.141
  333   2HB   PRO  42          1HB       PRO  42  -3.980  -0.943  23.114
  334   1HG   PRO  42          2HG       PRO  42  -4.344   1.577  24.446
  335   2HG   PRO  42          1HG       PRO  42  -2.999   1.079  23.418
  336   1HD   PRO  42          2HD       PRO  42  -5.088   2.978  22.807
  337   2HD   PRO  42          1HD       PRO  42  -3.729   2.476  21.774
  338    H    VAL  43           HN       VAL  43  -7.334  -1.700  20.958
  339    HA   VAL  43           HA       VAL  43  -9.457  -1.153  22.998
  340    HB   VAL  43           HB       VAL  43  -9.663  -1.141  19.970
  341   1HG1  VAL  43          2HG1      VAL  43 -11.604  -2.218  21.208
  342   2HG1  VAL  43          1HG1      VAL  43 -11.869  -0.657  21.985
  343   3HG1  VAL  43          3HG1      VAL  43 -12.020  -0.810  20.236
  344   1HG2  VAL  43          1HG2      VAL  43  -9.826   0.968  22.123
  345   2HG2  VAL  43          3HG2      VAL  43  -8.847   0.968  20.656
  346   3HG2  VAL  43          2HG2      VAL  43 -10.591   1.207  20.551
  347    H    VAL  44           HN       VAL  44 -10.672  -2.991  23.528
  348    HA   VAL  44           HA       VAL  44 -11.213  -5.274  22.030
  349    HB   VAL  44           HB       VAL  44  -8.397  -5.023  22.828
  350   1HG1  VAL  44          1HG1      VAL  44  -9.952  -7.540  23.487
  351   2HG1  VAL  44          3HG1      VAL  44  -8.201  -7.515  23.273
  352   3HG1  VAL  44          2HG1      VAL  44  -8.943  -6.590  24.577
  353   1HG2  VAL  44          3HG2      VAL  44  -9.948  -5.822  20.619
  354   2HG2  VAL  44          2HG2      VAL  44  -8.189  -5.833  20.733
  355   3HG2  VAL  44          1HG2      VAL  44  -9.107  -7.279  21.149
  356    HA   PRO  45           HA       PRO  45 -11.019  -6.532  26.747
  357   1HB   PRO  45          2HB       PRO  45 -10.610  -4.067  28.175
  358   2HB   PRO  45          1HB       PRO  45  -9.592  -5.508  28.174
  359   1HG   PRO  45          2HG       PRO  45  -9.080  -2.967  26.915
  360   2HG   PRO  45          1HG       PRO  45  -8.039  -4.391  26.957
  361   1HD   PRO  45          2HD       PRO  45  -9.476  -3.344  24.710
  362   2HD   PRO  45          1HD       PRO  45  -8.500  -4.828  24.765
  363    H    ILE  46           HN       ILE  46 -12.286  -3.620  25.335
  364    HA   ILE  46           HA       ILE  46 -14.596  -3.488  27.180
  365    HB   ILE  46           HB       ILE  46 -13.854  -1.954  24.665
  366   1HG1  ILE  46          2HG1      ILE  46 -13.549  -1.200  27.587
  367   2HG1  ILE  46          1HG1      ILE  46 -12.230  -1.755  26.557
  368   1HG2  ILE  46          3HG2      ILE  46 -16.076  -1.736  26.672
  369   2HG2  ILE  46          2HG2      ILE  46 -15.436  -0.264  25.940
  370   3HG2  ILE  46          1HG2      ILE  46 -16.130  -1.526  24.921
  371   1HD1  ILE  46          2HD1      ILE  46 -13.941   0.553  25.672
  372   2HD1  ILE  46          1HD1      ILE  46 -12.643   0.823  26.836
  373   3HD1  ILE  46          3HD1      ILE  46 -12.274   0.176  25.237
  374    H    LEU  47           HN       LEU  47 -14.566  -3.328  23.617
  375    HA   LEU  47           HA       LEU  47 -15.920  -5.799  23.119
  376   1HB   LEU  47          2HB       LEU  47 -17.621  -4.682  24.552
  377   2HB   LEU  47          1HB       LEU  47 -17.689  -3.347  23.402
  378    HG   LEU  47           HG       LEU  47 -18.256  -5.107  21.627
  379   1HD1  LEU  47          1HD1      LEU  47 -17.797  -6.797  23.892
  380   2HD1  LEU  47          3HD1      LEU  47 -19.491  -6.946  23.426
  381   3HD1  LEU  47          2HD1      LEU  47 -18.220  -7.270  22.247
  382   1HD2  LEU  47          2HD2      LEU  47 -19.868  -3.528  22.878
  383   2HD2  LEU  47          1HD2      LEU  47 -20.575  -4.941  22.095
  384   3HD2  LEU  47          3HD2      LEU  47 -20.305  -4.941  23.839
  385    H    CYS  48           HN       CYS  48 -14.053  -5.027  21.532
  386    HA   CYS  48           HA       CYS  48 -13.411  -4.074  19.441
  387   1HB   CYS  48          2HB       CYS  48 -16.108  -5.404  19.173
  388   2HB   CYS  48          1HB       CYS  48 -15.274  -4.759  17.757
  389    H    SER  49           HN       SER  49 -13.392  -1.802  19.871
  390    HA   SER  49           HA       SER  49 -15.572  -0.059  20.141
  391   1HB   SER  49          2HB       SER  49 -13.940   1.642  19.288
  392   2HB   SER  49          1HB       SER  49 -13.248   0.569  20.506
  393    HG   SER  49           HG       SER  49 -12.723   0.774  17.794
  394    H    ASN  50           HN       ASN  50 -14.016  -1.146  17.115
  395    HA   ASN  50           HA       ASN  50 -15.832   0.426  15.444
  396   1HB   ASN  50          2HB       ASN  50 -13.402  -1.116  15.236
  397   2HB   ASN  50          1HB       ASN  50 -14.529  -1.609  13.972
  398   1HD2  ASN  50          1HD2      ASN  50 -13.785   1.575  15.515
  399   2HD2  ASN  50          2HD2      ASN  50 -13.543   2.391  14.046
  400    HA   PRO  51           HA       PRO  51 -19.040  -2.718  15.960
  401   1HB   PRO  51          2HB       PRO  51 -20.560  -1.235  14.019
  402   2HB   PRO  51          1HB       PRO  51 -20.806  -1.315  15.765
  403   1HG   PRO  51          2HG       PRO  51 -19.759   0.877  14.209
  404   2HG   PRO  51          1HG       PRO  51 -20.069   0.821  15.946
  405   1HD   PRO  51          2HD       PRO  51 -17.519   0.837  14.633
  406   2HD   PRO  51          1HD       PRO  51 -17.836   0.672  16.374
  407    H    ASN  52           HN       ASN  52 -17.193  -1.783  13.229
  408    HA   ASN  52           HA       ASN  52 -18.061  -4.263  11.808
  409   1HB   ASN  52          2HB       ASN  52 -17.889  -1.425  10.780
  410   2HB   ASN  52          1HB       ASN  52 -17.899  -2.814   9.694
  411   1HD2  ASN  52          1HD2      ASN  52 -20.043  -0.845   9.789
  412   2HD2  ASN  52          2HD2      ASN  52 -21.442  -1.641  10.331
  413    H    PHE  53           HN       PHE  53 -15.689  -3.954  13.379
  414    HA   PHE  53           HA       PHE  53 -13.442  -3.309  11.600
  415   1HB   PHE  53          2HB       PHE  53 -12.127  -3.761  13.516
  416   2HB   PHE  53          1HB       PHE  53 -13.647  -3.200  14.214
  417    HD1  PHE  53           HD1      PHE  53 -15.431  -5.497  13.943
  418    HD2  PHE  53           HD2      PHE  53 -11.257  -5.395  14.963
  419    HE1  PHE  53           HE1      PHE  53 -15.673  -7.643  15.153
  420    HE2  PHE  53           HE2      PHE  53 -11.501  -7.556  16.174
  421    HZ   PHE  53           HZ       PHE  53 -13.712  -8.669  16.265
  422    HA   PRO  54           HA       PRO  54 -12.651  -7.230   9.785
  423   1HB   PRO  54          2HB       PRO  54 -10.243  -7.935  11.208
  424   2HB   PRO  54          1HB       PRO  54 -10.389  -7.283   9.574
  425   1HG   PRO  54          2HG       PRO  54  -9.453  -5.940  11.945
  426   2HG   PRO  54          1HG       PRO  54  -9.562  -5.300  10.305
  427   1HD   PRO  54          2HD       PRO  54 -11.197  -4.613  12.562
  428   2HD   PRO  54          1HD       PRO  54 -11.363  -4.025  10.892
  429    H    GLU  55           HN       GLU  55 -14.557  -7.855  11.181
  430    HA   GLU  55           HA       GLU  55 -14.682  -8.931  13.681
  431   1HB   GLU  55          2HB       GLU  55 -16.502  -8.807  12.014
  432   2HB   GLU  55          1HB       GLU  55 -15.795 -10.179  11.150
  433   1HG   GLU  55          2HG       GLU  55 -16.054 -11.568  13.198
  434   2HG   GLU  55          1HG       GLU  55 -16.822 -10.201  14.007
  435    H    GLU  56           HN       GLU  56 -12.982 -10.365  10.949
  436    HA   GLU  56           HA       GLU  56 -12.588 -13.007  11.854
  437   1HB   GLU  56          2HB       GLU  56 -10.669 -11.056  10.528
  438   2HB   GLU  56          1HB       GLU  56 -10.439 -12.804  10.582
  439   1HG   GLU  56          2HG       GLU  56 -12.606 -13.100   9.398
  440   2HG   GLU  56          1HG       GLU  56 -12.770 -11.346   9.297
  441    H    LEU  57           HN       LEU  57 -11.565 -10.009  13.219
  442    HA   LEU  57           HA       LEU  57  -9.380 -11.142  14.841
  443   1HB   LEU  57          2HB       LEU  57 -10.782  -8.450  14.749
  444   2HB   LEU  57          1HB       LEU  57  -9.343  -8.791  15.708
  445    HG   LEU  57           HG       LEU  57  -9.568  -8.981  12.689
  446   1HD1  LEU  57          1HD1      LEU  57  -9.459  -6.674  13.674
  447   2HD1  LEU  57          3HD1      LEU  57  -7.931  -7.118  14.437
  448   3HD1  LEU  57          2HD1      LEU  57  -8.059  -7.076  12.678
  449   1HD2  LEU  57          3HD2      LEU  57  -7.347  -9.636  14.633
  450   2HD2  LEU  57          2HD2      LEU  57  -8.040 -10.673  13.387
  451   3HD2  LEU  57          1HD2      LEU  57  -7.038  -9.296  12.930
  452    H    LYS  58           HN       LYS  58 -12.669 -11.388  14.992
  453    HA   LYS  58           HA       LYS  58 -13.670 -10.660  17.434
  454   1HB   LYS  58          2HB       LYS  58 -14.381 -12.369  15.454
  455   2HB   LYS  58          1HB       LYS  58 -14.009 -13.528  16.730
  456   1HG   LYS  58          2HG       LYS  58 -16.335 -12.977  16.964
  457   2HG   LYS  58          1HG       LYS  58 -15.484 -12.145  18.266
  458   1HD   LYS  58          2HD       LYS  58 -15.378 -10.109  16.758
  459   2HD   LYS  58          1HD       LYS  58 -16.466 -10.958  15.658
  460   1HE   LYS  58          2HE       LYS  58 -18.193 -11.082  17.365
  461   2HE   LYS  58          1HE       LYS  58 -17.088 -10.423  18.587
  462   1HZ   LYS  58          3HZ       LYS  58 -16.822  -8.614  16.663
  463   2HZ   LYS  58          2HZ       LYS  58 -18.429  -9.081  16.370
  464   3HZ   LYS  58          1HZ       LYS  58 -17.983  -8.473  17.891
  465    HA   PRO  59           HA       PRO  59 -11.479 -14.503  19.518
  466   1HB   PRO  59          2HB       PRO  59  -9.013 -14.802  18.063
  467   2HB   PRO  59          1HB       PRO  59 -10.300 -15.988  18.285
  468   1HG   PRO  59          2HG       PRO  59  -9.640 -14.479  15.908
  469   2HG   PRO  59          1HG       PRO  59 -10.856 -15.744  16.100
  470   1HD   PRO  59          2HD       PRO  59 -11.321 -12.957  15.742
  471   2HD   PRO  59          1HD       PRO  59 -12.535 -14.198  16.118
  472    H    LEU  60           HN       LEU  60  -9.461 -12.014  17.866
  473    HA   LEU  60           HA       LEU  60  -7.580 -11.648  19.968
  474   1HB   LEU  60          2HB       LEU  60  -8.704  -9.954  17.741
  475   2HB   LEU  60          1HB       LEU  60  -7.485  -9.306  18.838
  476    HG   LEU  60           HG       LEU  60  -6.205 -11.533  18.294
  477   1HD1  LEU  60          2HD1      LEU  60  -8.453 -11.516  16.386
  478   2HD1  LEU  60          1HD1      LEU  60  -6.874 -11.770  15.643
  479   3HD1  LEU  60          3HD1      LEU  60  -7.436 -12.856  16.914
  480   1HD2  LEU  60          2HD2      LEU  60  -6.501  -9.119  16.506
  481   2HD2  LEU  60          1HD2      LEU  60  -5.214  -9.480  17.655
  482   3HD2  LEU  60          3HD2      LEU  60  -5.329 -10.387  16.147
  483    H    CYS  61           HN       CYS  61 -10.793 -10.208  19.432
  484    HA   CYS  61           HA       CYS  61 -10.683  -8.244  21.505
  485   1HB   CYS  61          2HB       CYS  61 -12.878  -9.814  20.141
  486   2HB   CYS  61          1HB       CYS  61 -13.236  -8.576  21.345
  487    H    LYS  62           HN       LYS  62 -11.195 -11.719  21.607
  488    HA   LYS  62           HA       LYS  62 -12.124 -11.581  24.430
  489   1HB   LYS  62          2HB       LYS  62 -11.835 -13.839  22.427
  490   2HB   LYS  62          1HB       LYS  62 -12.550 -14.003  24.031
  491   1HG   LYS  62          2HG       LYS  62 -14.241 -12.281  23.425
  492   2HG   LYS  62          1HG       LYS  62 -13.550 -12.204  21.803
  493   1HD   LYS  62          2HD       LYS  62 -14.012 -14.647  21.540
  494   2HD   LYS  62          1HD       LYS  62 -14.808 -14.633  23.113
  495   1HE   LYS  62          2HE       LYS  62 -16.183 -12.628  22.034
  496   2HE   LYS  62          1HE       LYS  62 -15.717 -13.428  20.522
  497   1HZ   LYS  62          1HZ       LYS  62 -16.939 -14.781  22.874
  498   2HZ   LYS  62          3HZ       LYS  62 -17.775 -14.362  21.460
  499   3HZ   LYS  62          2HZ       LYS  62 -16.531 -15.516  21.399
  500    H    GLU  63           HN       GLU  63  -9.150 -11.392  23.132
  501    HA   GLU  63           HA       GLU  63  -7.975 -13.116  25.282
  502   1HB   GLU  63          2HB       GLU  63  -6.223 -13.749  23.649
  503   2HB   GLU  63          1HB       GLU  63  -7.827 -14.213  23.079
  504   1HG   GLU  63          2HG       GLU  63  -7.915 -12.092  21.753
  505   2HG   GLU  63          1HG       GLU  63  -6.257 -11.754  22.248
  506    HA   PRO  64           HA       PRO  64  -5.778  -9.487  26.456
  507   1HB   PRO  64          2HB       PRO  64  -3.485 -11.020  27.269
  508   2HB   PRO  64          1HB       PRO  64  -4.766 -10.355  28.285
  509   1HG   PRO  64          2HG       PRO  64  -4.299 -13.105  27.626
  510   2HG   PRO  64          1HG       PRO  64  -5.601 -12.436  28.614
  511   1HD   PRO  64          2HD       PRO  64  -5.772 -13.539  25.940
  512   2HD   PRO  64          1HD       PRO  64  -7.091 -12.920  26.959
  513    H    ASN  65           HN       ASN  65  -4.667 -11.686  24.069
  514    HA   ASN  65           HA       ASN  65  -2.142 -10.355  23.456
  515   1HB   ASN  65          2HB       ASN  65  -3.888 -12.279  21.884
  516   2HB   ASN  65          1HB       ASN  65  -2.201 -11.906  21.528
  517   1HD2  ASN  65          1HD2      ASN  65  -3.682 -14.462  22.574
  518   2HD2  ASN  65          2HD2      ASN  65  -2.731 -14.940  23.896
  519    H    ALA  66           HN       ALA  66  -5.487  -9.928  22.515
  520    HA   ALA  66           HA       ALA  66  -5.329  -8.676  20.022
  521   1HB   ALA  66          1HB       ALA  66  -7.093  -8.831  22.288
  522   2HB   ALA  66          2HB       ALA  66  -7.506  -8.500  20.604
  523   3HB   ALA  66          3HB       ALA  66  -7.083  -7.174  21.686
  524    H    GLN  67           HN       GLN  67  -4.619  -7.292  23.228
  525    HA   GLN  67           HA       GLN  67  -4.260  -4.579  22.500
  526   1HB   GLN  67          2HB       GLN  67  -2.844  -6.334  24.533
  527   2HB   GLN  67          1HB       GLN  67  -2.794  -4.571  24.536
  528   1HG   GLN  67          2HG       GLN  67  -5.243  -4.492  24.775
  529   2HG   GLN  67          1HG       GLN  67  -5.311  -6.254  24.741
  530   1HE2  GLN  67          1HE2      GLN  67  -6.316  -5.019  27.022
  531   2HE2  GLN  67          2HE2      GLN  67  -5.253  -5.233  28.327
  532    H    GLU  68           HN       GLU  68  -1.883  -7.259  22.501
  533    HA   GLU  68           HA       GLU  68   0.254  -5.566  21.444
  534   1HB   GLU  68          2HB       GLU  68  -0.094  -8.561  21.793
  535   2HB   GLU  68          1HB       GLU  68   1.426  -7.778  21.361
  536   1HG   GLU  68          2HG       GLU  68  -0.167  -7.193  23.875
  537   2HG   GLU  68          1HG       GLU  68   1.260  -8.227  23.806
  538    H    ILE  69           HN       ILE  69  -2.132  -7.822  20.124
  539    HA   ILE  69           HA       ILE  69  -0.920  -7.951  17.474
  540    HB   ILE  69           HB       ILE  69  -3.698  -8.585  18.526
  541   1HG1  ILE  69          2HG1      ILE  69  -1.354 -10.423  17.957
  542   2HG1  ILE  69          1HG1      ILE  69  -1.775  -9.832  19.564
  543   1HG2  ILE  69          2HG2      ILE  69  -2.360  -8.939  15.867
  544   2HG2  ILE  69          1HG2      ILE  69  -3.474 -10.189  16.422
  545   3HG2  ILE  69          3HG2      ILE  69  -4.037  -8.529  16.229
  546   1HD1  ILE  69          1HD1      ILE  69  -4.190 -10.787  18.554
  547   2HD1  ILE  69          3HD1      ILE  69  -3.005 -11.968  17.997
  548   3HD1  ILE  69          2HD1      ILE  69  -3.156 -11.615  19.717
  549    H    LEU  70           HN       LEU  70  -3.875  -6.370  18.754
  550    HA   LEU  70           HA       LEU  70  -4.777  -4.990  16.536
  551   1HB   LEU  70          2HB       LEU  70  -5.933  -4.886  18.624
  552   2HB   LEU  70          1HB       LEU  70  -4.527  -4.222  19.451
  553    HG   LEU  70           HG       LEU  70  -6.524  -2.644  18.714
  554   1HD1  LEU  70          1HD1      LEU  70  -4.011  -2.211  19.568
  555   2HD1  LEU  70          3HD1      LEU  70  -3.870  -1.532  17.946
  556   3HD1  LEU  70          2HD1      LEU  70  -5.074  -0.895  19.066
  557   1HD2  LEU  70          1HD2      LEU  70  -6.001  -3.577  16.265
  558   2HD2  LEU  70          3HD2      LEU  70  -6.552  -1.922  16.526
  559   3HD2  LEU  70          2HD2      LEU  70  -4.837  -2.253  16.286
  560    H    GLN  71           HN       GLN  71  -2.588  -3.419  18.912
  561    HA   GLN  71           HA       GLN  71  -1.893  -1.162  17.428
  562   1HB   GLN  71          2HB       GLN  71  -1.301  -1.796  19.799
  563   2HB   GLN  71          1HB       GLN  71  -0.034  -2.831  19.143
  564   1HG   GLN  71          2HG       GLN  71   0.960  -0.856  18.006
  565   2HG   GLN  71          1HG       GLN  71  -0.279   0.165  18.737
  566   1HE2  GLN  71          1HE2      GLN  71   0.640   1.269  20.472
  567   2HE2  GLN  71          2HE2      GLN  71   1.705   0.590  21.606
  568    H    ARG  72           HN       ARG  72  -0.036  -4.231  17.489
  569    HA   ARG  72           HA       ARG  72   1.887  -3.570  15.535
  570   1HB   ARG  72          2HB       ARG  72   0.520  -6.174  16.271
  571   2HB   ARG  72          1HB       ARG  72   1.965  -6.086  15.263
  572   1HG   ARG  72          2HG       ARG  72   3.149  -4.905  17.097
  573   2HG   ARG  72          1HG       ARG  72   1.710  -5.050  18.105
  574   1HD   ARG  72          2HD       ARG  72   3.181  -6.880  18.704
  575   2HD   ARG  72          1HD       ARG  72   1.871  -7.581  17.736
  576    HE   ARG  72           HE       ARG  72   3.408  -7.466  15.771
  577   1HH1  ARG  72          1HH1      ARG  72   4.555  -8.716  18.548
  578   2HH1  ARG  72          2HH1      ARG  72   6.232  -8.386  18.271
  579   1HH2  ARG  72          1HH2      ARG  72   5.646  -6.302  15.562
  580   2HH2  ARG  72          2HH2      ARG  72   6.850  -7.019  16.580
  581    H    LEU  73           HN       LEU  73  -1.170  -5.380  15.015
  582    HA   LEU  73           HA       LEU  73  -1.120  -5.657  12.246
  583   1HB   LEU  73          2HB       LEU  73  -3.363  -4.991  14.170
  584   2HB   LEU  73          1HB       LEU  73  -3.648  -5.469  12.496
  585    HG   LEU  73           HG       LEU  73  -2.261  -7.094  14.646
  586   1HD1  LEU  73          3HD1      LEU  73  -4.801  -7.492  13.037
  587   2HD1  LEU  73          2HD1      LEU  73  -4.111  -8.692  14.130
  588   3HD1  LEU  73          1HD1      LEU  73  -4.698  -7.155  14.765
  589   1HD2  LEU  73          3HD2      LEU  73  -2.051  -7.161  11.730
  590   2HD2  LEU  73          2HD2      LEU  73  -1.084  -8.003  12.941
  591   3HD2  LEU  73          1HD2      LEU  73  -2.613  -8.693  12.398
  592    H    GLU  74           HN       GLU  74  -2.430  -2.837  14.040
  593    HA   GLU  74           HA       GLU  74  -3.133  -1.245  11.812
  594   1HB   GLU  74          2HB       GLU  74  -2.010  -0.428  14.512
  595   2HB   GLU  74          1HB       GLU  74  -2.969   0.598  13.444
  596   1HG   GLU  74          2HG       GLU  74  -4.796  -1.158  13.576
  597   2HG   GLU  74          1HG       GLU  74  -3.853  -1.935  14.845
  598    H    GLU  75           HN       GLU  75  -0.008  -1.319  13.610
  599    HA   GLU  75           HA       GLU  75   1.374   0.647  12.146
  600   1HB   GLU  75          2HB       GLU  75   2.112  -0.562  14.206
  601   2HB   GLU  75          1HB       GLU  75   2.400  -2.000  13.227
  602   1HG   GLU  75          2HG       GLU  75   4.003  -0.679  11.837
  603   2HG   GLU  75          1HG       GLU  75   3.772   0.689  12.926
  604    H    ILE  76           HN       ILE  76   1.307  -2.888  11.507
  605    HA   ILE  76           HA       ILE  76   2.778  -2.807   9.064
  606    HB   ILE  76           HB       ILE  76   0.560  -4.658  10.010
  607   1HG1  ILE  76          2HG1      ILE  76   3.576  -4.811  10.318
  608   2HG1  ILE  76          1HG1      ILE  76   2.430  -4.451  11.609
  609   1HG2  ILE  76          3HG2      ILE  76   1.858  -4.543   7.520
  610   2HG2  ILE  76          2HG2      ILE  76   2.662  -5.845   8.396
  611   3HG2  ILE  76          1HG2      ILE  76   0.916  -5.892   8.155
  612   1HD1  ILE  76          3HD1      ILE  76   1.681  -6.871  10.181
  613   2HD1  ILE  76          2HD1      ILE  76   3.317  -6.992  10.829
  614   3HD1  ILE  76          1HD1      ILE  76   1.966  -6.639  11.906
  615    H    ALA  77           HN       ALA  77  -0.638  -2.306   9.799
  616    HA   ALA  77           HA       ALA  77  -1.744  -2.368   7.187
  617   1HB   ALA  77          3HB       ALA  77  -2.400  -1.446   9.853
  618   2HB   ALA  77          1HB       ALA  77  -3.492  -1.960   8.568
  619   3HB   ALA  77          2HB       ALA  77  -2.967  -0.279   8.658
  620    H    GLU  78           HN       GLU  78   0.118   0.107   8.882
  621    HA   GLU  78           HA       GLU  78  -0.320   2.287   7.070
  622   1HB   GLU  78          2HB       GLU  78   0.664   2.342   9.388
  623   2HB   GLU  78          1HB       GLU  78   2.126   1.602   8.736
  624   1HG   GLU  78          2HG       GLU  78   2.331   3.523   7.147
  625   2HG   GLU  78          1HG       GLU  78   0.943   4.276   7.931
  626    H    ASP  79           HN       ASP  79   2.187  -0.262   7.187
  627    HA   ASP  79           HA       ASP  79   2.696   0.204   4.285
  628   1HB   ASP  79          2HB       ASP  79   4.376   1.525   5.349
  629   2HB   ASP  79          1HB       ASP  79   4.658   0.302   6.587
  630    HA   PRO  80           HA       PRO  80   2.572  -4.192   4.075
  631   1HB   PRO  80          2HB       PRO  80   4.715  -4.286   2.159
  632   2HB   PRO  80          1HB       PRO  80   2.979  -4.408   1.859
  633   1HG   PRO  80          2HG       PRO  80   4.744  -2.186   1.297
  634   2HG   PRO  80          1HG       PRO  80   3.033  -2.358   0.895
  635   1HD   PRO  80          2HD       PRO  80   4.173  -0.629   2.862
  636   2HD   PRO  80          1HD       PRO  80   2.444  -0.932   2.578
  637    H    GLY  81           HN       GLY  81   5.957  -2.983   3.792
  638   1HA   GLY  81          1HA       GLY  81   6.721  -4.281   6.278
  639   2HA   GLY  81          2HA       GLY  81   7.814  -3.481   5.151
  640    H    THR  82           HN       THR  82   7.692  -6.264   6.541
  641    HA   THR  82           HA       THR  82   8.870  -7.723   4.290
  642    HB   THR  82           HB       THR  82   9.382  -9.349   6.062
  643    HG1  THR  82          1HG       THR  82   8.515  -9.056   8.103
  644   1HG2  THR  82          1HG2      THR  82  10.402  -6.870   5.875
  645   2HG2  THR  82          3HG2      THR  82   9.733  -6.771   7.504
  646   3HG2  THR  82          2HG2      THR  82  10.922  -8.013   7.113
  647    H    CYS  83           HN       CYS  83   5.781  -7.626   5.923
  648    HA   CYS  83           HA       CYS  83   4.773 -10.221   5.402
  649   1HB   CYS  83          2HB       CYS  83   3.809  -8.192   6.693
  650   2HB   CYS  83          1HB       CYS  83   3.178  -7.669   5.130
  651    H    GLU  84           HN       GLU  84   4.404  -7.289   3.368
  652    HA   GLU  84           HA       GLU  84   3.136  -8.523   1.159
  653   1HB   GLU  84          2HB       GLU  84   3.380  -6.095   1.605
  654   2HB   GLU  84          1HB       GLU  84   5.098  -6.212   1.225
  655   1HG   GLU  84          2HG       GLU  84   4.448  -7.116  -1.041
  656   2HG   GLU  84          1HG       GLU  84   2.771  -6.741  -0.644
  657    H    ILE  85           HN       ILE  85   6.552  -8.505   2.071
  658    HA   ILE  85           HA       ILE  85   7.266  -9.720  -0.559
  659    HB   ILE  85           HB       ILE  85   9.545  -9.171   0.102
  660   1HG1  ILE  85          2HG1      ILE  85   8.277  -8.569   2.784
  661   2HG1  ILE  85          1HG1      ILE  85   9.514  -9.775   2.435
  662   1HG2  ILE  85          2HG2      ILE  85   7.444  -7.293  -0.153
  663   2HG2  ILE  85          1HG2      ILE  85   8.489  -6.692   1.134
  664   3HG2  ILE  85          3HG2      ILE  85   9.160  -7.026  -0.462
  665   1HD1  ILE  85          2HD1      ILE  85  10.705  -7.505   1.481
  666   2HD1  ILE  85          1HD1      ILE  85   9.779  -6.859   2.836
  667   3HD1  ILE  85          3HD1      ILE  85  10.957  -8.143   3.107
  668    H    CYS  86           HN       CYS  86   5.934 -10.953   2.039
  669    HA   CYS  86           HA       CYS  86   6.004 -13.055   3.118
  670   1HB   CYS  86          2HB       CYS  86   7.660 -13.584   0.630
  671   2HB   CYS  86          1HB       CYS  86   6.957 -14.833   1.657
  672    H    ALA  87           HN       ALA  87   8.418 -11.010   3.300
  673    HA   ALA  87           HA       ALA  87  10.781 -12.560   3.821
  674   1HB   ALA  87          1HB       ALA  87  11.026 -10.324   5.363
  675   2HB   ALA  87          2HB       ALA  87   9.728  -9.825   4.279
  676   3HB   ALA  87          3HB       ALA  87  11.282 -10.332   3.618
  677    H    TYR  88           HN       TYR  88   7.836 -12.283   5.537
  678    HA   TYR  88           HA       TYR  88   9.025 -13.735   7.848
  679   1HB   TYR  88          2HB       TYR  88   8.228 -10.967   7.772
  680   2HB   TYR  88          1HB       TYR  88   7.171 -11.845   8.876
  681    HD1  TYR  88           HD1      TYR  88  10.738 -11.151   8.058
  682    HD2  TYR  88           HD2      TYR  88   7.959 -12.619  10.986
  683    HE1  TYR  88           HE1      TYR  88  12.548 -11.198   9.752
  684    HE2  TYR  88           HE2      TYR  88   9.769 -12.665  12.680
  685    HH   TYR  88           HH       TYR  88  12.950 -12.583  11.971
  686    H    ALA  89           HN       ALA  89   7.118 -14.422   9.354
  687    HA   ALA  89           HA       ALA  89   5.153 -15.840   7.736
  688   1HB   ALA  89          2HB       ALA  89   6.376 -16.115  10.201
  689   2HB   ALA  89          1HB       ALA  89   4.728 -15.666  10.639
  690   3HB   ALA  89          3HB       ALA  89   5.018 -17.086   9.633
  691    H    ALA  90           HN       ALA  90   5.259 -12.664   8.573
  692    HA   ALA  90           HA       ALA  90   2.714 -12.075   9.715
  693   1HB   ALA  90          3HB       ALA  90   4.244 -10.436   7.682
  694   2HB   ALA  90          2HB       ALA  90   3.216  -9.842   8.986
  695   3HB   ALA  90          1HB       ALA  90   4.764 -10.600   9.358
  696    H    CYS  91           HN       CYS  91   3.725 -12.379   6.302
  697    HA   CYS  91           HA       CYS  91   0.863 -12.146   5.473
  698   1HB   CYS  91          2HB       CYS  91   3.517 -11.463   4.390
  699   2HB   CYS  91          1HB       CYS  91   2.395 -12.128   3.203
  700    H    THR  92           HN       THR  92  -0.168 -14.026   4.947
  701    HA   THR  92           HA       THR  92   1.492 -16.424   4.269
  702    HB   THR  92           HB       THR  92  -0.391 -17.678   5.159
  703    HG1  THR  92          1HG       THR  92  -1.974 -16.199   4.286
  704   1HG2  THR  92          2HG2      THR  92   1.220 -16.573   6.748
  705   2HG2  THR  92          1HG2      THR  92   0.056 -15.260   6.926
  706   3HG2  THR  92          3HG2      THR  92  -0.369 -16.893   7.443
  707    H    GLY  93           HN       GLY  93   0.513 -17.888   2.609
  708   1HA   GLY  93          1HA       GLY  93  -1.306 -16.495   0.702
  709   2HA   GLY  93          2HA       GLY  93  -1.027 -18.237   0.744
  710    H    CYS  94           HN       CYS  94   1.924 -16.970   1.227
  711    HA   CYS  94           HA       CYS  94   2.900 -15.830  -1.126
  712   1HB   CYS  94          2HB       CYS  94   3.955 -17.720   0.947
  713   2HB   CYS  94          1HB       CYS  94   4.964 -17.370  -0.457

  No H/Q in entry =         713
  Start of MODEL   27
    1    H1   VAL   1          2H        VAL   1  -3.087 -12.686   0.689
    2    H2   VAL   1          1H        VAL   1  -1.952 -12.588  -0.571
    3    H3   VAL   1          3H        VAL   1  -2.099 -14.019   0.328
    4    HA   VAL   1           HA       VAL   1  -0.639 -13.311   1.838
    5    HB   VAL   1           HB       VAL   1  -0.608 -11.029  -0.157
    6   1HG1  VAL   1          3HG1      VAL   1   0.927 -11.477   2.351
    7   2HG1  VAL   1          2HG1      VAL   1   1.856 -10.963   0.942
    8   3HG1  VAL   1          1HG1      VAL   1   0.526  -9.968   1.533
    9   1HG2  VAL   1          2HG2      VAL   1   0.781 -13.666   0.156
   10   2HG2  VAL   1          1HG2      VAL   1   0.153 -12.900  -1.303
   11   3HG2  VAL   1          3HG2      VAL   1   1.664 -12.335  -0.592
   12    H    THR   2           HN       THR   2  -1.997 -13.011   3.670
   13    HA   THR   2           HA       THR   2  -2.926 -10.197   4.155
   14    HB   THR   2           HB       THR   2  -4.623 -12.075   3.880
   15    HG1  THR   2          1HG       THR   2  -5.851 -11.152   5.370
   16   1HG2  THR   2          1HG2      THR   2  -2.853 -13.333   5.707
   17   2HG2  THR   2          3HG2      THR   2  -4.378 -13.081   6.557
   18   3HG2  THR   2          2HG2      THR   2  -4.351 -13.979   5.040
   19    H    VAL   3           HN       VAL   3  -2.878  -9.576   6.510
   20    HA   VAL   3           HA       VAL   3  -0.339 -10.373   7.742
   21    HB   VAL   3           HB       VAL   3  -2.596  -8.537   8.613
   22   1HG1  VAL   3          1HG1      VAL   3   0.150  -9.114   9.699
   23   2HG1  VAL   3          3HG1      VAL   3  -0.557  -7.511   9.900
   24   3HG1  VAL   3          2HG1      VAL   3  -1.371  -8.924  10.573
   25   1HG2  VAL   3          1HG2      VAL   3   0.027  -7.989   7.191
   26   2HG2  VAL   3          3HG2      VAL   3  -1.583  -7.856   6.484
   27   3HG2  VAL   3          2HG2      VAL   3  -1.089  -6.750   7.766
   28    H    GLN   4           HN       GLN   4  -0.185 -12.068   9.176
   29    HA   GLN   4           HA       GLN   4  -2.715 -13.008  10.484
   30   1HB   GLN   4          2HB       GLN   4  -1.578 -14.505   8.841
   31   2HB   GLN   4          1HB       GLN   4  -0.136 -14.483   9.856
   32   1HG   GLN   4          2HG       GLN   4  -1.472 -15.420  11.730
   33   2HG   GLN   4          1HG       GLN   4  -2.878 -15.496  10.669
   34   1HE2  GLN   4          1HE2      GLN   4  -3.118 -17.431   9.527
   35   2HE2  GLN   4          2HE2      GLN   4  -1.879 -18.561   9.261
   36    H    ASP   5           HN       ASP   5  -2.805 -12.595  12.636
   37    HA   ASP   5           HA       ASP   5  -0.296 -12.045  14.148
   38   1HB   ASP   5          2HB       ASP   5  -1.909 -11.138  15.807
   39   2HB   ASP   5          1HB       ASP   5  -2.176 -10.441  14.209
   40    H    GLY   6           HN       GLY   6  -1.737 -14.750  13.316
   41   1HA   GLY   6          1HA       GLY   6  -2.459 -16.062  15.764
   42   2HA   GLY   6          2HA       GLY   6  -0.766 -16.388  15.386
   43    H    ASN   7           HN       ASN   7  -3.558 -17.896  15.165
   44    HA   ASN   7           HA       ASN   7  -2.795 -19.327  12.675
   45   1HB   ASN   7          2HB       ASN   7  -4.824 -19.876  14.870
   46   2HB   ASN   7          1HB       ASN   7  -4.410 -20.996  13.571
   47   1HD2  ASN   7          1HD2      ASN   7  -3.942 -21.143  16.610
   48   2HD2  ASN   7          2HD2      ASN   7  -2.282 -21.464  16.758
   49    H    PHE   8           HN       PHE   8  -4.356 -16.621  13.028
   50    HA   PHE   8           HA       PHE   8  -6.676 -17.364  11.270
   51   1HB   PHE   8          2HB       PHE   8  -6.371 -15.049  13.208
   52   2HB   PHE   8          1HB       PHE   8  -7.838 -15.495  12.337
   53    HD1  PHE   8           HD1      PHE   8  -8.419 -18.147  12.619
   54    HD2  PHE   8           HD2      PHE   8  -6.254 -15.720  15.424
   55    HE1  PHE   8           HE1      PHE   8  -9.010 -19.724  14.439
   56    HE2  PHE   8           HE2      PHE   8  -6.844 -17.297  17.244
   57    HZ   PHE   8           HZ       PHE   8  -8.221 -19.299  16.753
   58    H    SER   9           HN       SER   9  -6.577 -16.470   9.241
   59    HA   SER   9           HA       SER   9  -4.449 -14.560   8.568
   60   1HB   SER   9          2HB       SER   9  -5.034 -15.113   6.349
   61   2HB   SER   9          1HB       SER   9  -5.437 -16.584   7.236
   62    HG   SER   9           HG       SER   9  -7.151 -15.978   5.905
   63    H    PHE  10           HN       PHE  10  -4.772 -12.391   8.893
   64    HA   PHE  10           HA       PHE  10  -7.571 -11.331   8.675
   65   1HB   PHE  10          2HB       PHE  10  -5.172 -10.481  10.328
   66   2HB   PHE  10          1HB       PHE  10  -6.705  -9.606  10.286
   67    HD1  PHE  10           HD1      PHE  10  -8.503 -12.087  10.031
   68    HD2  PHE  10           HD2      PHE  10  -5.225 -11.145  12.644
   69    HE1  PHE  10           HE1      PHE  10  -9.425 -13.625  11.743
   70    HE2  PHE  10           HE2      PHE  10  -6.148 -12.682  14.355
   71    HZ   PHE  10           HZ       PHE  10  -8.248 -13.923  13.905
   72    H    SER  11           HN       SER  11  -7.864  -9.999   6.933
   73    HA   SER  11           HA       SER  11  -5.714  -9.125   5.225
   74   1HB   SER  11          2HB       SER  11  -8.026  -9.542   4.490
   75   2HB   SER  11          1HB       SER  11  -8.601  -8.229   5.518
   76    HG   SER  11           HG       SER  11  -8.149  -6.942   3.948
   77    H    LEU  12           HN       LEU  12  -5.387  -6.718   4.725
   78    HA   LEU  12           HA       LEU  12  -4.983  -5.262   7.282
   79   1HB   LEU  12          2HB       LEU  12  -4.062  -4.750   4.434
   80   2HB   LEU  12          1HB       LEU  12  -3.502  -3.877   5.860
   81    HG   LEU  12           HG       LEU  12  -2.853  -6.210   6.783
   82   1HD1  LEU  12          2HD1      LEU  12  -3.605  -6.790   3.953
   83   2HD1  LEU  12          1HD1      LEU  12  -2.177  -7.603   4.595
   84   3HD1  LEU  12          3HD1      LEU  12  -3.740  -7.814   5.383
   85   1HD2  LEU  12          1HD2      LEU  12  -1.497  -4.290   5.255
   86   2HD2  LEU  12          3HD2      LEU  12  -0.763  -5.550   6.247
   87   3HD2  LEU  12          2HD2      LEU  12  -1.051  -5.836   4.530
   88    H    GLU  13           HN       GLU  13  -7.413  -5.440   5.019
   89    HA   GLU  13           HA       GLU  13  -7.967  -2.633   4.558
   90   1HB   GLU  13          2HB       GLU  13  -8.719  -4.550   3.147
   91   2HB   GLU  13          1HB       GLU  13  -9.772  -5.072   4.463
   92   1HG   GLU  13          2HG       GLU  13 -10.906  -2.844   4.375
   93   2HG   GLU  13          1HG       GLU  13  -9.913  -2.429   2.978
   94    H    SER  14           HN       SER  14 -10.112  -4.909   6.298
   95    HA   SER  14           HA       SER  14 -11.633  -3.125   7.746
   96   1HB   SER  14          2HB       SER  14 -10.431  -5.609   8.979
   97   2HB   SER  14          1HB       SER  14 -12.048  -4.952   9.225
   98    HG   SER  14           HG       SER  14 -12.073  -6.710   7.780
   99    H    VAL  15           HN       VAL  15  -8.362  -4.257   8.650
  100    HA   VAL  15           HA       VAL  15  -8.281  -2.836  11.161
  101    HB   VAL  15           HB       VAL  15  -6.246  -4.037   9.275
  102   1HG1  VAL  15          1HG1      VAL  15  -5.208  -2.120  10.466
  103   2HG1  VAL  15          3HG1      VAL  15  -5.736  -2.808  12.001
  104   3HG1  VAL  15          2HG1      VAL  15  -4.551  -3.662  11.013
  105   1HG2  VAL  15          1HG2      VAL  15  -7.622  -4.800  11.833
  106   2HG2  VAL  15          3HG2      VAL  15  -7.364  -5.763  10.377
  107   3HG2  VAL  15          2HG2      VAL  15  -6.024  -5.463  11.483
  108    H    LYS  16           HN       LYS  16  -6.850  -2.102   7.949
  109    HA   LYS  16           HA       LYS  16  -5.664   0.370   8.498
  110   1HB   LYS  16          2HB       LYS  16  -5.660  -0.889   6.341
  111   2HB   LYS  16          1HB       LYS  16  -7.339  -0.411   6.084
  112   1HG   LYS  16          2HG       LYS  16  -6.685   1.957   6.095
  113   2HG   LYS  16          1HG       LYS  16  -5.008   1.505   6.406
  114   1HD   LYS  16          2HD       LYS  16  -5.255   1.918   4.025
  115   2HD   LYS  16          1HD       LYS  16  -5.038   0.184   4.267
  116   1HE   LYS  16          2HE       LYS  16  -6.947  -0.060   3.042
  117   2HE   LYS  16          1HE       LYS  16  -7.802   0.541   4.475
  118   1HZ   LYS  16          1HZ       LYS  16  -7.100   2.834   3.623
  119   2HZ   LYS  16          3HZ       LYS  16  -6.810   2.066   2.139
  120   3HZ   LYS  16          2HZ       LYS  16  -8.372   2.056   2.809
  121    H    LYS  17           HN       LYS  17  -9.086  -0.270   7.671
  122    HA   LYS  17           HA       LYS  17  -9.910   2.502   8.018
  123   1HB   LYS  17          2HB       LYS  17 -11.408  -0.143   7.933
  124   2HB   LYS  17          1HB       LYS  17 -12.179   1.440   7.857
  125   1HG   LYS  17          2HG       LYS  17 -10.840   1.959   5.822
  126   2HG   LYS  17          1HG       LYS  17 -10.163   0.331   5.880
  127   1HD   LYS  17          2HD       LYS  17 -12.518  -0.565   5.775
  128   2HD   LYS  17          1HD       LYS  17 -13.073   1.086   5.498
  129   1HE   LYS  17          2HE       LYS  17 -10.881  -0.016   3.759
  130   2HE   LYS  17          1HE       LYS  17 -12.564  -0.470   3.426
  131   1HZ   LYS  17          3HZ       LYS  17 -12.954   2.066   3.816
  132   2HZ   LYS  17          2HZ       LYS  17 -11.309   2.195   3.411
  133   3HZ   LYS  17          1HZ       LYS  17 -12.408   1.521   2.305
  134    H    LEU  18           HN       LEU  18 -10.503  -0.487   9.896
  135    HA   LEU  18           HA       LEU  18 -11.834   0.186  12.109
  136   1HB   LEU  18          2HB       LEU  18 -10.900  -1.881  12.363
  137   2HB   LEU  18          1HB       LEU  18  -9.403  -1.407  11.564
  138    HG   LEU  18           HG       LEU  18  -8.878  -0.090  13.721
  139   1HD1  LEU  18          1HD1      LEU  18 -11.401  -0.523  14.418
  140   2HD1  LEU  18          3HD1      LEU  18 -10.734  -2.025  15.057
  141   3HD1  LEU  18          2HD1      LEU  18 -10.130  -0.474  15.640
  142   1HD2  LEU  18          1HD2      LEU  18  -8.813  -3.013  13.245
  143   2HD2  LEU  18          3HD2      LEU  18  -7.495  -1.905  13.628
  144   3HD2  LEU  18          2HD2      LEU  18  -8.540  -2.510  14.913
  145    H    LYS  19           HN       LYS  19  -8.484   1.304  11.549
  146    HA   LYS  19           HA       LYS  19  -7.980   2.630  13.972
  147   1HB   LYS  19          2HB       LYS  19  -7.308   3.268  11.088
  148   2HB   LYS  19          1HB       LYS  19  -6.607   4.156  12.440
  149   1HG   LYS  19          2HG       LYS  19  -5.809   1.963  13.379
  150   2HG   LYS  19          1HG       LYS  19  -6.371   1.181  11.902
  151   1HD   LYS  19          2HD       LYS  19  -4.875   2.615  10.567
  152   2HD   LYS  19          1HD       LYS  19  -4.322   3.416  12.037
  153   1HE   LYS  19          2HE       LYS  19  -4.094   0.545  12.345
  154   2HE   LYS  19          1HE       LYS  19  -3.238   1.075  10.884
  155   1HZ   LYS  19          2HZ       LYS  19  -2.533   3.028  12.457
  156   2HZ   LYS  19          1HZ       LYS  19  -2.840   1.892  13.681
  157   3HZ   LYS  19          3HZ       LYS  19  -1.682   1.558  12.488
  158    H    ASP  20           HN       ASP  20  -9.689   3.883  11.090
  159    HA   ASP  20           HA       ASP  20 -10.681   6.168  12.761
  160   1HB   ASP  20          2HB       ASP  20 -10.934   7.296  10.563
  161   2HB   ASP  20          1HB       ASP  20  -9.278   6.740  10.808
  162    H    LEU  21           HN       LEU  21 -11.612   3.215  11.491
  163    HA   LEU  21           HA       LEU  21 -13.705   2.248  10.954
  164   1HB   LEU  21          2HB       LEU  21 -13.704   3.165  13.418
  165   2HB   LEU  21          1HB       LEU  21 -14.851   4.343  12.780
  166    HG   LEU  21           HG       LEU  21 -16.260   2.606  13.485
  167   1HD1  LEU  21          3HD1      LEU  21 -15.551   1.954  10.609
  168   2HD1  LEU  21          2HD1      LEU  21 -17.021   1.432  11.432
  169   3HD1  LEU  21          1HD1      LEU  21 -16.735   3.149  11.142
  170   1HD2  LEU  21          2HD2      LEU  21 -13.924   1.081  13.393
  171   2HD2  LEU  21          1HD2      LEU  21 -15.516   0.516  13.903
  172   3HD2  LEU  21          3HD2      LEU  21 -14.996   0.299  12.232
  173    H    GLN  22           HN       GLN  22 -14.298   2.734   8.850
  174    HA   GLN  22           HA       GLN  22 -15.728   5.334   8.405
  175   1HB   GLN  22          2HB       GLN  22 -13.997   3.637   6.577
  176   2HB   GLN  22          1HB       GLN  22 -14.887   5.065   6.047
  177   1HG   GLN  22          2HG       GLN  22 -13.653   6.452   7.659
  178   2HG   GLN  22          1HG       GLN  22 -12.789   5.028   8.240
  179   1HE2  GLN  22          1HE2      GLN  22 -11.452   7.315   7.042
  180   2HE2  GLN  22          2HE2      GLN  22 -10.737   6.790   5.595
  181    H    GLU  23           HN       GLU  23 -17.411   5.153   6.633
  182    HA   GLU  23           HA       GLU  23 -19.435   3.340   7.101
  183   1HB   GLU  23          2HB       GLU  23 -18.576   5.133   4.981
  184   2HB   GLU  23          1HB       GLU  23 -19.433   3.742   4.318
  185   1HG   GLU  23          2HG       GLU  23 -21.126   5.349   4.808
  186   2HG   GLU  23          1HG       GLU  23 -21.208   4.172   6.119
  187    HA   PRO  24           HA       PRO  24 -18.384  -0.678   5.714
  188   1HB   PRO  24          2HB       PRO  24 -20.616  -0.987   3.926
  189   2HB   PRO  24          1HB       PRO  24 -20.447  -1.598   5.574
  190   1HG   PRO  24          2HG       PRO  24 -22.117   0.550   4.648
  191   2HG   PRO  24          1HG       PRO  24 -21.952  -0.063   6.294
  192   1HD   PRO  24          2HD       PRO  24 -20.981   2.439   5.233
  193   2HD   PRO  24          1HD       PRO  24 -20.805   1.815   6.891
  194    H    GLN  25           HN       GLN  25 -16.636   0.648   4.395
  195    HA   GLN  25           HA       GLN  25 -17.108   0.807   1.494
  196   1HB   GLN  25          2HB       GLN  25 -14.669   1.201   3.260
  197   2HB   GLN  25          1HB       GLN  25 -14.744   1.608   1.546
  198   1HG   GLN  25          2HG       GLN  25 -16.571   3.193   1.987
  199   2HG   GLN  25          1HG       GLN  25 -16.545   2.765   3.698
  200   1HE2  GLN  25          1HE2      GLN  25 -16.073   5.449   2.950
  201   2HE2  GLN  25          2HE2      GLN  25 -14.443   5.832   3.233
  202    H    GLU  26           HN       GLU  26 -16.844  -1.796   3.324
  203    HA   GLU  26           HA       GLU  26 -14.635  -3.346   2.615
  204   1HB   GLU  26          2HB       GLU  26 -17.355  -3.687   3.547
  205   2HB   GLU  26          1HB       GLU  26 -16.910  -5.010   2.468
  206   1HG   GLU  26          2HG       GLU  26 -14.770  -4.295   4.341
  207   2HG   GLU  26          1HG       GLU  26 -16.240  -4.831   5.152
  208    HA   PRO  27           HA       PRO  27 -17.069  -4.717  -1.390
  209   1HB   PRO  27          2HB       PRO  27 -18.700  -2.457  -2.111
  210   2HB   PRO  27          1HB       PRO  27 -19.221  -4.096  -1.716
  211   1HG   PRO  27          2HG       PRO  27 -19.503  -1.715  -0.126
  212   2HG   PRO  27          1HG       PRO  27 -20.049  -3.349   0.257
  213   1HD   PRO  27          2HD       PRO  27 -17.876  -1.897   1.453
  214   2HD   PRO  27          1HD       PRO  27 -18.388  -3.564   1.806
  215    H    ARG  28           HN       ARG  28 -15.745  -1.651  -0.541
  216    HA   ARG  28           HA       ARG  28 -14.600  -1.377  -3.303
  217   1HB   ARG  28          2HB       ARG  28 -16.325   0.332  -2.603
  218   2HB   ARG  28          1HB       ARG  28 -15.231   0.821  -1.309
  219   1HG   ARG  28          2HG       ARG  28 -13.499   1.381  -2.957
  220   2HG   ARG  28          1HG       ARG  28 -14.547   0.836  -4.266
  221   1HD   ARG  28          2HD       ARG  28 -14.759   3.244  -4.154
  222   2HD   ARG  28          1HD       ARG  28 -16.244   2.576  -3.452
  223    HE   ARG  28           HE       ARG  28 -15.559   3.559  -1.417
  224   1HH1  ARG  28          1HH1      ARG  28 -13.311   1.657  -0.998
  225   2HH1  ARG  28          2HH1      ARG  28 -11.938   2.710  -0.916
  226   1HH2  ARG  28          1HH2      ARG  28 -13.586   5.406  -2.341
  227   2HH2  ARG  28          2HH2      ARG  28 -12.094   4.832  -1.676
  228    H    VAL  29           HN       VAL  29 -12.405  -1.650  -3.275
  229    HA   VAL  29           HA       VAL  29 -10.938  -1.028  -0.731
  230    HB   VAL  29           HB       VAL  29 -10.369  -3.137  -2.840
  231   1HG1  VAL  29          2HG1      VAL  29  -8.958  -2.148  -0.427
  232   2HG1  VAL  29          1HG1      VAL  29  -9.061  -3.902  -0.583
  233   3HG1  VAL  29          3HG1      VAL  29  -8.312  -2.944  -1.860
  234   1HG2  VAL  29          1HG2      VAL  29 -12.480  -3.400  -1.387
  235   2HG2  VAL  29          3HG2      VAL  29 -11.327  -4.736  -1.365
  236   3HG2  VAL  29          2HG2      VAL  29 -11.373  -3.588  -0.025
  237    H    GLY  30           HN       GLY  30  -9.177   0.333  -0.950
  238   1HA   GLY  30          1HA       GLY  30  -7.904   2.009  -2.035
  239   2HA   GLY  30          2HA       GLY  30  -8.719   1.601  -3.546
  240    H    LYS  31           HN       LYS  31  -6.691   1.557  -4.685
  241    HA   LYS  31           HA       LYS  31  -5.456  -0.986  -4.949
  242   1HB   LYS  31          2HB       LYS  31  -4.499   1.814  -5.624
  243   2HB   LYS  31          1HB       LYS  31  -3.785   0.335  -6.267
  244   1HG   LYS  31          2HG       LYS  31  -6.025  -0.283  -7.195
  245   2HG   LYS  31          1HG       LYS  31  -6.645   1.275  -6.648
  246   1HD   LYS  31          2HD       LYS  31  -4.876   2.399  -8.025
  247   2HD   LYS  31          1HD       LYS  31  -4.415   0.816  -8.651
  248   1HE   LYS  31          2HE       LYS  31  -5.930   1.551 -10.293
  249   2HE   LYS  31          1HE       LYS  31  -7.005   0.640  -9.216
  250   1HZ   LYS  31          2HZ       LYS  31  -7.244   2.793  -7.942
  251   2HZ   LYS  31          1HZ       LYS  31  -6.516   3.567  -9.267
  252   3HZ   LYS  31          3HZ       LYS  31  -7.993   2.757  -9.466
  253    H    LEU  32           HN       LEU  32  -4.556   1.829  -2.979
  254    HA   LEU  32           HA       LEU  32  -2.284   0.233  -1.841
  255   1HB   LEU  32          2HB       LEU  32  -1.776   2.366  -3.049
  256   2HB   LEU  32          1HB       LEU  32  -2.777   3.229  -1.881
  257    HG   LEU  32           HG       LEU  32  -1.294   2.258  -0.060
  258   1HD1  LEU  32          1HD1      LEU  32  -0.083   1.079  -2.477
  259   2HD1  LEU  32          3HD1      LEU  32   1.078   1.814  -1.370
  260   3HD1  LEU  32          2HD1      LEU  32   0.001   0.540  -0.800
  261   1HD2  LEU  32          2HD2      LEU  32  -0.391   4.212  -2.152
  262   2HD2  LEU  32          1HD2      LEU  32  -0.840   4.505  -0.471
  263   3HD2  LEU  32          3HD2      LEU  32   0.719   3.776  -0.854
  264    H    ARG  33           HN       ARG  33  -2.447  -0.321   0.305
  265    HA   ARG  33           HA       ARG  33  -4.588   1.011   1.934
  266   1HB   ARG  33          2HB       ARG  33  -4.761  -1.183   3.065
  267   2HB   ARG  33          1HB       ARG  33  -4.988  -1.362   1.326
  268   1HG   ARG  33          2HG       ARG  33  -2.577  -1.975   1.115
  269   2HG   ARG  33          1HG       ARG  33  -2.432  -1.894   2.871
  270   1HD   ARG  33          2HD       ARG  33  -2.825  -4.209   2.378
  271   2HD   ARG  33          1HD       ARG  33  -4.396  -3.588   2.922
  272    HE   ARG  33           HE       ARG  33  -4.748  -3.141   0.357
  273   1HH1  ARG  33          1HH1      ARG  33  -5.419  -5.917   1.335
  274   2HH1  ARG  33          2HH1      ARG  33  -4.565  -6.905   0.197
  275   1HH2  ARG  33          1HH2      ARG  33  -2.557  -4.320  -0.945
  276   2HH2  ARG  33          2HH2      ARG  33  -2.945  -6.002  -1.093
  277    H    ASN  34           HN       ASN  34  -2.224   2.340   1.971
  278    HA   ASN  34           HA       ASN  34  -0.941   1.482   4.547
  279   1HB   ASN  34          2HB       ASN  34   1.160   2.206   3.623
  280   2HB   ASN  34          1HB       ASN  34   0.387   1.216   2.386
  281   1HD2  ASN  34          1HD2      ASN  34   2.295   3.079   1.539
  282   2HD2  ASN  34          2HD2      ASN  34   1.530   4.368   0.742
  283    H    PHE  35           HN       PHE  35  -2.930   3.741   3.184
  284    HA   PHE  35           HA       PHE  35  -1.801   6.225   4.146
  285   1HB   PHE  35          2HB       PHE  35  -4.292   5.178   2.951
  286   2HB   PHE  35          1HB       PHE  35  -4.517   6.595   3.979
  287    HD1  PHE  35           HD1      PHE  35  -3.050   8.645   3.564
  288    HD2  PHE  35           HD2      PHE  35  -3.367   5.388   0.780
  289    HE1  PHE  35           HE1      PHE  35  -2.164  10.099   1.762
  290    HE2  PHE  35           HE2      PHE  35  -2.481   6.843  -1.023
  291    HZ   PHE  35           HZ       PHE  35  -1.881   9.199  -0.532
  292    H    ALA  36           HN       ALA  36  -3.110   3.569   5.794
  293    HA   ALA  36           HA       ALA  36  -4.621   4.811   7.881
  294   1HB   ALA  36          3HB       ALA  36  -4.883   2.576   8.126
  295   2HB   ALA  36          1HB       ALA  36  -3.314   2.561   8.928
  296   3HB   ALA  36          2HB       ALA  36  -3.422   2.249   7.196
  297    HA   PRO  37           HA       PRO  37  -1.585   6.910  10.277
  298   1HB   PRO  37          2HB       PRO  37  -2.778   6.078  12.760
  299   2HB   PRO  37          1HB       PRO  37  -2.953   7.629  11.936
  300   1HG   PRO  37          2HG       PRO  37  -4.905   5.540  12.202
  301   2HG   PRO  37          1HG       PRO  37  -5.081   7.089  11.374
  302   1HD   PRO  37          2HD       PRO  37  -4.855   4.462  10.194
  303   2HD   PRO  37          1HD       PRO  37  -5.039   6.022   9.359
  304    H    ILE  38           HN       ILE  38  -0.993   5.929  13.018
  305    HA   ILE  38           HA       ILE  38   0.530   3.440  12.316
  306    HB   ILE  38           HB       ILE  38   2.158   4.434  14.063
  307   1HG1  ILE  38          2HG1      ILE  38   0.241   6.135  14.693
  308   2HG1  ILE  38          1HG1      ILE  38   1.924   6.658  14.716
  309   1HG2  ILE  38          1HG2      ILE  38   1.634   5.344  11.276
  310   2HG2  ILE  38          3HG2      ILE  38   2.793   6.285  12.213
  311   3HG2  ILE  38          2HG2      ILE  38   3.061   4.562  11.954
  312   1HD1  ILE  38          2HD1      ILE  38   0.611   6.908  12.085
  313   2HD1  ILE  38          1HD1      ILE  38  -0.075   7.937  13.341
  314   3HD1  ILE  38          3HD1      ILE  38   1.639   8.056  12.943
  315    HA   PRO  39           HA       PRO  39  -1.249   1.380  15.751
  316   1HB   PRO  39          2HB       PRO  39   1.254   0.465  16.831
  317   2HB   PRO  39          1HB       PRO  39   0.110  -0.431  15.830
  318   1HG   PRO  39          2HG       PRO  39   2.691   0.584  15.081
  319   2HG   PRO  39          1HG       PRO  39   1.544  -0.307  14.080
  320   1HD   PRO  39          2HD       PRO  39   2.231   2.493  13.922
  321   2HD   PRO  39          1HD       PRO  39   1.079   1.592  12.909
  322    H    GLY  40           HN       GLY  40  -1.488   1.561  18.089
  323   1HA   GLY  40          1HA       GLY  40  -0.222   4.022  19.180
  324   2HA   GLY  40          2HA       GLY  40  -0.111   2.534  20.116
  325    H    GLU  41           HN       GLU  41  -3.009   2.226  18.635
  326    HA   GLU  41           HA       GLU  41  -4.431   3.500  20.943
  327   1HB   GLU  41          2HB       GLU  41  -4.406   4.427  18.340
  328   2HB   GLU  41          1HB       GLU  41  -5.875   3.451  18.383
  329   1HG   GLU  41          2HG       GLU  41  -5.907   4.852  20.801
  330   2HG   GLU  41          1HG       GLU  41  -5.343   6.035  19.621
  331    HA   PRO  42           HA       PRO  42  -5.488  -1.039  20.059
  332   1HB   PRO  42          2HB       PRO  42  -4.965  -1.516  22.848
  333   2HB   PRO  42          1HB       PRO  42  -4.082  -2.144  21.453
  334   1HG   PRO  42          2HG       PRO  42  -3.219  -0.152  23.330
  335   2HG   PRO  42          1HG       PRO  42  -2.346  -0.766  21.924
  336   1HD   PRO  42          2HD       PRO  42  -3.580   1.830  22.257
  337   2HD   PRO  42          1HD       PRO  42  -2.675   1.219  20.852
  338    H    VAL  43           HN       VAL  43  -7.608  -1.715  20.460
  339    HA   VAL  43           HA       VAL  43  -9.085  -0.492  22.753
  340    HB   VAL  43           HB       VAL  43 -10.951  -0.063  21.066
  341   1HG1  VAL  43          1HG1      VAL  43  -9.387   1.696  21.943
  342   2HG1  VAL  43          3HG1      VAL  43  -8.353   1.407  20.543
  343   3HG1  VAL  43          2HG1      VAL  43  -9.987   2.032  20.319
  344   1HG2  VAL  43          3HG2      VAL  43  -9.427  -1.608  19.408
  345   2HG2  VAL  43          2HG2      VAL  43 -10.649  -0.469  18.842
  346   3HG2  VAL  43          1HG2      VAL  43  -8.952   0.009  18.888
  347    H    VAL  44           HN       VAL  44  -9.979  -2.209  23.847
  348    HA   VAL  44           HA       VAL  44 -11.282  -4.377  22.272
  349    HB   VAL  44           HB       VAL  44  -9.125  -4.702  24.381
  350   1HG1  VAL  44          2HG1      VAL  44 -11.310  -6.460  23.536
  351   2HG1  VAL  44          1HG1      VAL  44  -9.724  -7.204  23.335
  352   3HG1  VAL  44          3HG1      VAL  44 -10.224  -6.609  24.918
  353   1HG2  VAL  44          3HG2      VAL  44  -8.557  -4.228  21.901
  354   2HG2  VAL  44          2HG2      VAL  44  -7.803  -5.632  22.653
  355   3HG2  VAL  44          1HG2      VAL  44  -9.192  -5.842  21.586
  356    HA   PRO  45           HA       PRO  45 -13.511  -2.763  26.124
  357   1HB   PRO  45          2HB       PRO  45 -15.831  -2.536  24.439
  358   2HB   PRO  45          1HB       PRO  45 -14.928  -1.239  25.225
  359   1HG   PRO  45          2HG       PRO  45 -14.996  -1.906  22.429
  360   2HG   PRO  45          1HG       PRO  45 -14.105  -0.600  23.212
  361   1HD   PRO  45          2HD       PRO  45 -13.039  -3.025  22.073
  362   2HD   PRO  45          1HD       PRO  45 -12.145  -1.718  22.882
  363    H    ILE  46           HN       ILE  46 -16.052  -3.656  26.477
  364    HA   ILE  46           HA       ILE  46 -15.806  -6.480  26.825
  365    HB   ILE  46           HB       ILE  46 -18.212  -4.633  26.716
  366   1HG1  ILE  46          2HG1      ILE  46 -16.632  -5.677  29.084
  367   2HG1  ILE  46          1HG1      ILE  46 -16.410  -4.077  28.377
  368   1HG2  ILE  46          1HG2      ILE  46 -18.046  -7.489  26.946
  369   2HG2  ILE  46          3HG2      ILE  46 -18.577  -6.828  28.493
  370   3HG2  ILE  46          2HG2      ILE  46 -19.480  -6.467  27.022
  371   1HD1  ILE  46          3HD1      ILE  46 -19.163  -4.253  28.732
  372   2HD1  ILE  46          2HD1      ILE  46 -18.511  -5.038  30.171
  373   3HD1  ILE  46          1HD1      ILE  46 -18.043  -3.383  29.782
  374    H    LEU  47           HN       LEU  47 -17.115  -4.540  24.180
  375    HA   LEU  47           HA       LEU  47 -17.537  -7.070  22.628
  376   1HB   LEU  47          2HB       LEU  47 -19.582  -5.914  21.701
  377   2HB   LEU  47          1HB       LEU  47 -19.692  -6.283  23.421
  378    HG   LEU  47           HG       LEU  47 -18.437  -3.727  23.136
  379   1HD1  LEU  47          3HD1      LEU  47 -19.692  -3.897  20.878
  380   2HD1  LEU  47          2HD1      LEU  47 -21.163  -3.775  21.843
  381   3HD1  LEU  47          1HD1      LEU  47 -19.982  -2.465  21.866
  382   1HD2  LEU  47          1HD2      LEU  47 -19.861  -4.712  25.015
  383   2HD2  LEU  47          3HD2      LEU  47 -20.203  -3.034  24.593
  384   3HD2  LEU  47          2HD2      LEU  47 -21.267  -4.321  24.024
  385    H    CYS  48           HN       CYS  48 -15.186  -5.806  22.270
  386    HA   CYS  48           HA       CYS  48 -13.835  -4.751  20.640
  387   1HB   CYS  48          2HB       CYS  48 -16.176  -5.954  19.387
  388   2HB   CYS  48          1HB       CYS  48 -15.579  -4.582  18.452
  389    H    SER  49           HN       SER  49 -13.356  -2.595  20.342
  390    HA   SER  49           HA       SER  49 -15.217  -0.545  21.156
  391   1HB   SER  49          2HB       SER  49 -12.711  -0.525  21.339
  392   2HB   SER  49          1HB       SER  49 -12.632  -0.330  19.588
  393    HG   SER  49           HG       SER  49 -13.895   1.414  21.433
  394    H    ASN  50           HN       ASN  50 -13.731  -1.198  17.978
  395    HA   ASN  50           HA       ASN  50 -15.561   0.599  16.588
  396   1HB   ASN  50          2HB       ASN  50 -13.335  -1.300  15.929
  397   2HB   ASN  50          1HB       ASN  50 -14.349  -0.696  14.621
  398   1HD2  ASN  50          1HD2      ASN  50 -14.815   1.924  15.217
  399   2HD2  ASN  50          2HD2      ASN  50 -13.368   2.790  15.407
  400    HA   PRO  51           HA       PRO  51 -18.749  -2.597  16.483
  401   1HB   PRO  51          2HB       PRO  51 -20.301  -0.774  14.890
  402   2HB   PRO  51          1HB       PRO  51 -20.522  -1.192  16.591
  403   1HG   PRO  51          2HG       PRO  51 -19.555   1.278  15.500
  404   2HG   PRO  51          1HG       PRO  51 -19.749   0.849  17.202
  405   1HD   PRO  51          2HD       PRO  51 -17.288   1.137  15.705
  406   2HD   PRO  51          1HD       PRO  51 -17.485   0.748  17.429
  407    H    ASN  52           HN       ASN  52 -16.985  -1.077  13.961
  408    HA   ASN  52           HA       ASN  52 -17.941  -3.155  12.020
  409   1HB   ASN  52          2HB       ASN  52 -17.745  -0.217  11.887
  410   2HB   ASN  52          1HB       ASN  52 -17.046  -1.044  10.494
  411   1HD2  ASN  52          1HD2      ASN  52 -19.783  -2.286  12.422
  412   2HD2  ASN  52          2HD2      ASN  52 -20.928  -2.175  11.173
  413    H    PHE  53           HN       PHE  53 -15.666  -3.327  13.853
  414    HA   PHE  53           HA       PHE  53 -13.231  -2.760  12.317
  415   1HB   PHE  53          2HB       PHE  53 -12.175  -3.397  14.305
  416   2HB   PHE  53          1HB       PHE  53 -13.754  -2.917  14.920
  417    HD1  PHE  53           HD1      PHE  53 -15.582  -4.793  15.010
  418    HD2  PHE  53           HD2      PHE  53 -11.358  -5.555  14.779
  419    HE1  PHE  53           HE1      PHE  53 -15.944  -7.078  15.900
  420    HE2  PHE  53           HE2      PHE  53 -11.722  -7.847  15.673
  421    HZ   PHE  53           HZ       PHE  53 -14.017  -8.602  16.231
  422    HA   PRO  54           HA       PRO  54 -12.569  -6.564  10.211
  423   1HB   PRO  54          2HB       PRO  54 -10.464  -7.648  11.857
  424   2HB   PRO  54          1HB       PRO  54 -10.316  -6.855  10.291
  425   1HG   PRO  54          2HG       PRO  54  -9.603  -5.832  12.889
  426   2HG   PRO  54          1HG       PRO  54  -9.409  -5.046  11.320
  427   1HD   PRO  54          2HD       PRO  54 -11.262  -4.359  13.390
  428   2HD   PRO  54          1HD       PRO  54 -11.151  -3.640  11.768
  429    H    GLU  55           HN       GLU  55 -14.722  -7.145  11.306
  430    HA   GLU  55           HA       GLU  55 -15.144  -8.562  13.634
  431   1HB   GLU  55          2HB       GLU  55 -16.812  -7.892  11.911
  432   2HB   GLU  55          1HB       GLU  55 -16.255  -9.224  10.891
  433   1HG   GLU  55          2HG       GLU  55 -16.840 -10.825  12.703
  434   2HG   GLU  55          1HG       GLU  55 -17.458  -9.484  13.665
  435    H    GLU  56           HN       GLU  56 -13.633  -9.800  10.664
  436    HA   GLU  56           HA       GLU  56 -13.603 -12.573  11.241
  437   1HB   GLU  56          2HB       GLU  56 -11.522 -10.756   9.972
  438   2HB   GLU  56          1HB       GLU  56 -11.528 -12.514   9.826
  439   1HG   GLU  56          2HG       GLU  56 -13.772 -10.676   8.934
  440   2HG   GLU  56          1HG       GLU  56 -12.593 -11.434   7.864
  441    H    LEU  57           HN       LEU  57 -12.073  -9.931  12.792
  442    HA   LEU  57           HA       LEU  57 -10.075 -11.607  14.222
  443   1HB   LEU  57          2HB       LEU  57 -10.700  -8.654  13.980
  444   2HB   LEU  57          1HB       LEU  57  -9.516  -9.262  15.138
  445    HG   LEU  57           HG       LEU  57  -8.322 -10.389  13.274
  446   1HD1  LEU  57          3HD1      LEU  57 -10.666  -9.344  11.786
  447   2HD1  LEU  57          2HD1      LEU  57  -9.111  -9.233  10.964
  448   3HD1  LEU  57          1HD1      LEU  57  -9.715 -10.799  11.507
  449   1HD2  LEU  57          1HD2      LEU  57  -8.464  -7.603  13.841
  450   2HD2  LEU  57          3HD2      LEU  57  -7.094  -8.502  13.189
  451   3HD2  LEU  57          2HD2      LEU  57  -8.270  -7.771  12.096
  452    H    LYS  58           HN       LYS  58 -13.147 -11.507  14.500
  453    HA   LYS  58           HA       LYS  58 -14.134 -10.420  16.835
  454   1HB   LYS  58          2HB       LYS  58 -14.815 -12.422  15.018
  455   2HB   LYS  58          1HB       LYS  58 -14.806 -13.252  16.575
  456   1HG   LYS  58          2HG       LYS  58 -16.048 -10.680  16.895
  457   2HG   LYS  58          1HG       LYS  58 -16.810 -11.520  15.544
  458   1HD   LYS  58          2HD       LYS  58 -17.526 -13.292  16.879
  459   2HD   LYS  58          1HD       LYS  58 -16.268 -13.023  18.086
  460   1HE   LYS  58          2HE       LYS  58 -18.307 -10.861  17.661
  461   2HE   LYS  58          1HE       LYS  58 -18.770 -12.296  18.595
  462   1HZ   LYS  58          2HZ       LYS  58 -16.276 -10.741  19.051
  463   2HZ   LYS  58          1HZ       LYS  58 -17.700 -10.516  19.948
  464   3HZ   LYS  58          3HZ       LYS  58 -16.885 -12.001  20.014
  465    HA   PRO  59           HA       PRO  59 -12.315 -14.206  19.341
  466   1HB   PRO  59          2HB       PRO  59  -9.878 -14.882  17.958
  467   2HB   PRO  59          1HB       PRO  59 -11.272 -15.918  18.279
  468   1HG   PRO  59          2HG       PRO  59 -10.462 -14.723  15.771
  469   2HG   PRO  59          1HG       PRO  59 -11.789 -15.847  16.070
  470   1HD   PRO  59          2HD       PRO  59 -11.999 -13.080  15.426
  471   2HD   PRO  59          1HD       PRO  59 -13.324 -14.161  15.912
  472    H    LEU  60           HN       LEU  60  -9.908 -12.308  17.442
  473    HA   LEU  60           HA       LEU  60  -8.031 -11.758  19.422
  474   1HB   LEU  60          2HB       LEU  60  -7.958 -11.075  17.036
  475   2HB   LEU  60          1HB       LEU  60  -9.220  -9.882  17.349
  476    HG   LEU  60           HG       LEU  60  -7.107  -9.569  19.279
  477   1HD1  LEU  60          3HD1      LEU  60  -6.235 -10.314  16.618
  478   2HD1  LEU  60          2HD1      LEU  60  -5.744  -8.661  16.988
  479   3HD1  LEU  60          1HD1      LEU  60  -5.264  -9.982  18.053
  480   1HD2  LEU  60          3HD2      LEU  60  -8.271  -7.901  17.038
  481   2HD2  LEU  60          2HD2      LEU  60  -8.614  -7.781  18.764
  482   3HD2  LEU  60          1HD2      LEU  60  -7.040  -7.286  18.142
  483    H    CYS  61           HN       CYS  61 -11.036  -9.921  18.759
  484    HA   CYS  61           HA       CYS  61 -10.748  -8.052  20.905
  485   1HB   CYS  61          2HB       CYS  61 -13.133  -9.180  19.411
  486   2HB   CYS  61          1HB       CYS  61 -13.236  -7.803  20.509
  487    H    LYS  62           HN       LYS  62 -11.827 -11.385  20.842
  488    HA   LYS  62           HA       LYS  62 -13.088 -11.198  23.511
  489   1HB   LYS  62          2HB       LYS  62 -13.993 -12.553  21.609
  490   2HB   LYS  62          1HB       LYS  62 -12.551 -13.564  21.690
  491   1HG   LYS  62          2HG       LYS  62 -13.101 -14.105  24.059
  492   2HG   LYS  62          1HG       LYS  62 -14.581 -13.158  23.909
  493   1HD   LYS  62          2HD       LYS  62 -15.311 -14.642  22.050
  494   2HD   LYS  62          1HD       LYS  62 -13.855 -15.611  22.277
  495   1HE   LYS  62          2HE       LYS  62 -15.041 -15.340  24.846
  496   2HE   LYS  62          1HE       LYS  62 -16.343 -15.775  23.721
  497   1HZ   LYS  62          1HZ       LYS  62 -13.685 -17.105  23.786
  498   2HZ   LYS  62          3HZ       LYS  62 -15.055 -17.714  24.579
  499   3HZ   LYS  62          2HZ       LYS  62 -15.045 -17.580  22.886
  500    H    GLU  63           HN       GLU  63  -9.945 -11.264  22.563
  501    HA   GLU  63           HA       GLU  63  -9.157 -12.989  24.891
  502   1HB   GLU  63          2HB       GLU  63  -7.110 -13.490  23.494
  503   2HB   GLU  63          1HB       GLU  63  -8.617 -14.099  22.810
  504   1HG   GLU  63          2HG       GLU  63  -8.754 -12.192  21.303
  505   2HG   GLU  63          1HG       GLU  63  -7.331 -11.461  22.046
  506    HA   PRO  64           HA       PRO  64  -7.195  -9.402  26.515
  507   1HB   PRO  64          2HB       PRO  64  -5.084 -10.976  27.673
  508   2HB   PRO  64          1HB       PRO  64  -6.512 -10.314  28.472
  509   1HG   PRO  64          2HG       PRO  64  -5.966 -13.057  27.829
  510   2HG   PRO  64          1HG       PRO  64  -7.399 -12.394  28.618
  511   1HD   PRO  64          2HD       PRO  64  -7.175 -13.444  25.934
  512   2HD   PRO  64          1HD       PRO  64  -8.623 -12.789  26.736
  513    H    ASN  65           HN       ASN  65  -5.671 -11.602  24.345
  514    HA   ASN  65           HA       ASN  65  -3.112 -10.196  24.150
  515   1HB   ASN  65          2HB       ASN  65  -4.529 -12.260  22.433
  516   2HB   ASN  65          1HB       ASN  65  -2.852 -11.761  22.207
  517   1HD2  ASN  65          1HD2      ASN  65  -3.498 -14.472  22.856
  518   2HD2  ASN  65          2HD2      ASN  65  -2.930 -14.801  24.422
  519    H    ALA  66           HN       ALA  66  -6.273  -9.901  22.688
  520    HA   ALA  66           HA       ALA  66  -5.812  -8.737  20.207
  521   1HB   ALA  66          2HB       ALA  66  -7.857  -8.838  22.196
  522   2HB   ALA  66          3HB       ALA  66  -8.037  -8.468  20.480
  523   3HB   ALA  66          1HB       ALA  66  -7.743  -7.170  21.637
  524    H    GLN  67           HN       GLN  67  -5.494  -7.196  23.405
  525    HA   GLN  67           HA       GLN  67  -4.938  -4.543  22.484
  526   1HB   GLN  67          2HB       GLN  67  -4.062  -6.090  24.947
  527   2HB   GLN  67          1HB       GLN  67  -3.943  -4.339  24.775
  528   1HG   GLN  67          2HG       GLN  67  -6.406  -4.244  24.400
  529   2HG   GLN  67          1HG       GLN  67  -6.490  -5.982  24.683
  530   1HE2  GLN  67          1HE2      GLN  67  -4.057  -5.018  26.697
  531   2HE2  GLN  67          2HE2      GLN  67  -4.951  -4.684  28.100
  532    H    GLU  68           HN       GLU  68  -2.891  -7.388  23.014
  533    HA   GLU  68           HA       GLU  68  -0.403  -5.960  22.398
  534   1HB   GLU  68          2HB       GLU  68  -1.190  -8.870  22.759
  535   2HB   GLU  68          1HB       GLU  68   0.471  -8.336  22.506
  536   1HG   GLU  68          2HG       GLU  68   0.309  -6.904  24.521
  537   2HG   GLU  68          1HG       GLU  68  -1.343  -7.466  24.778
  538    H    ILE  69           HN       ILE  69  -2.642  -8.178  20.752
  539    HA   ILE  69           HA       ILE  69  -1.086  -8.443  18.324
  540    HB   ILE  69           HB       ILE  69  -4.057  -8.760  18.880
  541   1HG1  ILE  69          2HG1      ILE  69  -1.857 -10.847  18.902
  542   2HG1  ILE  69          1HG1      ILE  69  -2.545 -10.115  20.352
  543   1HG2  ILE  69          1HG2      ILE  69  -2.271  -9.471  16.574
  544   2HG2  ILE  69          3HG2      ILE  69  -3.642 -10.513  16.953
  545   3HG2  ILE  69          2HG2      ILE  69  -3.908  -8.816  16.555
  546   1HD1  ILE  69          2HD1      ILE  69  -4.204 -11.548  18.257
  547   2HD1  ILE  69          1HD1      ILE  69  -3.582 -12.334  19.708
  548   3HD1  ILE  69          3HD1      ILE  69  -4.734 -11.006  19.849
  549    H    LEU  70           HN       LEU  70  -3.899  -6.440  19.235
  550    HA   LEU  70           HA       LEU  70  -4.550  -5.117  16.921
  551   1HB   LEU  70          2HB       LEU  70  -5.578  -4.696  19.086
  552   2HB   LEU  70          1HB       LEU  70  -4.082  -3.998  19.702
  553    HG   LEU  70           HG       LEU  70  -5.964  -2.393  18.870
  554   1HD1  LEU  70          2HD1      LEU  70  -3.366  -2.033  19.294
  555   2HD1  LEU  70          1HD1      LEU  70  -3.342  -1.822  17.544
  556   3HD1  LEU  70          3HD1      LEU  70  -4.342  -0.771  18.546
  557   1HD2  LEU  70          3HD2      LEU  70  -6.166  -3.729  16.693
  558   2HD2  LEU  70          2HD2      LEU  70  -6.054  -1.977  16.524
  559   3HD2  LEU  70          1HD2      LEU  70  -4.640  -2.985  16.219
  560    H    GLN  71           HN       GLN  71  -2.160  -3.606  19.135
  561    HA   GLN  71           HA       GLN  71  -1.093  -1.684  17.466
  562   1HB   GLN  71          2HB       GLN  71   0.356  -3.567  19.352
  563   2HB   GLN  71          1HB       GLN  71   1.004  -2.031  18.778
  564   1HG   GLN  71          2HG       GLN  71  -1.024  -0.897  19.745
  565   2HG   GLN  71          1HG       GLN  71  -1.493  -2.444  20.450
  566   1HE2  GLN  71          1HE2      GLN  71   1.811  -2.553  20.496
  567   2HE2  GLN  71          2HE2      GLN  71   2.103  -1.888  22.029
  568    H    ARG  72           HN       ARG  72   0.120  -5.061  17.652
  569    HA   ARG  72           HA       ARG  72   2.072  -4.915  15.625
  570   1HB   ARG  72          2HB       ARG  72   0.171  -7.161  16.376
  571   2HB   ARG  72          1HB       ARG  72   1.677  -7.372  15.483
  572   1HG   ARG  72          2HG       ARG  72   2.969  -6.542  17.365
  573   2HG   ARG  72          1HG       ARG  72   1.497  -6.128  18.243
  574   1HD   ARG  72          2HD       ARG  72   0.891  -8.461  18.469
  575   2HD   ARG  72          1HD       ARG  72   2.200  -8.955  17.378
  576    HE   ARG  72           HE       ARG  72   3.809  -8.170  19.084
  577   1HH1  ARG  72          1HH1      ARG  72   2.416 -10.238  20.609
  578   2HH1  ARG  72          2HH1      ARG  72   1.885  -9.403  22.030
  579   1HH2  ARG  72          1HH2      ARG  72   2.297  -6.246  20.650
  580   2HH2  ARG  72          2HH2      ARG  72   1.817  -7.141  22.054
  581    H    LEU  73           HN       LEU  73  -1.288  -6.118  15.204
  582    HA   LEU  73           HA       LEU  73  -1.357  -6.386  12.432
  583   1HB   LEU  73          2HB       LEU  73  -3.454  -5.272  14.326
  584   2HB   LEU  73          1HB       LEU  73  -3.793  -5.909  12.716
  585    HG   LEU  73           HG       LEU  73  -2.668  -7.418  15.090
  586   1HD1  LEU  73          2HD1      LEU  73  -5.199  -7.630  13.438
  587   2HD1  LEU  73          1HD1      LEU  73  -4.685  -8.863  14.589
  588   3HD1  LEU  73          3HD1      LEU  73  -5.073  -7.237  15.153
  589   1HD2  LEU  73          2HD2      LEU  73  -2.411  -7.886  12.202
  590   2HD2  LEU  73          1HD2      LEU  73  -1.531  -8.621  13.540
  591   3HD2  LEU  73          3HD2      LEU  73  -3.110  -9.252  13.070
  592    H    GLU  74           HN       GLU  74  -2.235  -3.411  14.237
  593    HA   GLU  74           HA       GLU  74  -2.686  -1.694  12.065
  594   1HB   GLU  74          2HB       GLU  74  -1.326  -1.106  14.716
  595   2HB   GLU  74          1HB       GLU  74  -2.153   0.074  13.699
  596   1HG   GLU  74          2HG       GLU  74  -4.242  -1.325  13.920
  597   2HG   GLU  74          1HG       GLU  74  -3.387  -2.308  15.108
  598    H    GLU  75           HN       GLU  75   0.428  -2.395  13.700
  599    HA   GLU  75           HA       GLU  75   2.077  -0.659  12.180
  600   1HB   GLU  75          2HB       GLU  75   2.681  -1.925  14.242
  601   2HB   GLU  75          1HB       GLU  75   2.680  -3.417  13.301
  602   1HG   GLU  75          2HG       GLU  75   4.429  -2.420  11.812
  603   2HG   GLU  75          1HG       GLU  75   4.486  -1.017  12.878
  604    H    ILE  76           HN       ILE  76   1.349  -4.130  11.609
  605    HA   ILE  76           HA       ILE  76   2.762  -4.364   9.141
  606    HB   ILE  76           HB       ILE  76   0.245  -5.766  10.109
  607   1HG1  ILE  76          2HG1      ILE  76   1.909  -5.960  11.824
  608   2HG1  ILE  76          1HG1      ILE  76   1.963  -7.471  10.915
  609   1HG2  ILE  76          2HG2      ILE  76   2.403  -6.585   8.140
  610   2HG2  ILE  76          1HG2      ILE  76   1.106  -7.636   8.707
  611   3HG2  ILE  76          3HG2      ILE  76   0.726  -6.206   7.749
  612   1HD1  ILE  76          1HD1      ILE  76   3.847  -6.550   9.565
  613   2HD1  ILE  76          3HD1      ILE  76   3.822  -5.098  10.566
  614   3HD1  ILE  76          2HD1      ILE  76   4.241  -6.655  11.281
  615    H    ALA  77           HN       ALA  77  -0.571  -3.368   9.878
  616    HA   ALA  77           HA       ALA  77  -1.651  -3.250   7.273
  617   1HB   ALA  77          2HB       ALA  77  -2.167  -2.240   9.935
  618   2HB   ALA  77          3HB       ALA  77  -3.322  -2.593   8.651
  619   3HB   ALA  77          1HB       ALA  77  -2.561  -1.005   8.740
  620    H    GLU  78           HN       GLU  78   0.410  -0.918   9.001
  621    HA   GLU  78           HA       GLU  78   0.339   1.328   7.379
  622   1HB   GLU  78          2HB       GLU  78   1.752   0.904   9.412
  623   2HB   GLU  78          1HB       GLU  78   2.829  -0.072   8.412
  624   1HG   GLU  78          2HG       GLU  78   3.193   1.914   6.940
  625   2HG   GLU  78          1HG       GLU  78   2.206   2.874   8.043
  626    H    ASP  79           HN       ASP  79   1.825  -1.786   6.678
  627    HA   ASP  79           HA       ASP  79   2.097  -2.701   4.459
  628   1HB   ASP  79          2HB       ASP  79   0.814  -0.662   3.674
  629   2HB   ASP  79          1HB       ASP  79   2.357   0.184   3.623
  630    HA   PRO  80           HA       PRO  80   6.433  -1.729   5.911
  631   1HB   PRO  80          2HB       PRO  80   6.804  -4.574   5.921
  632   2HB   PRO  80          1HB       PRO  80   6.769  -3.479   7.305
  633   1HG   PRO  80          2HG       PRO  80   4.776  -5.394   6.512
  634   2HG   PRO  80          1HG       PRO  80   4.749  -4.314   7.907
  635   1HD   PRO  80          2HD       PRO  80   3.159  -4.139   5.510
  636   2HD   PRO  80          1HD       PRO  80   3.154  -3.033   6.903
  637    H    GLY  81           HN       GLY  81   5.093  -4.036   3.639
  638   1HA   GLY  81          1HA       GLY  81   7.158  -3.262   1.637
  639   2HA   GLY  81          2HA       GLY  81   5.656  -4.125   1.277
  640    H    THR  82           HN       THR  82   7.643  -4.956   4.014
  641    HA   THR  82           HA       THR  82   9.109  -7.121   2.726
  642    HB   THR  82           HB       THR  82   9.694  -7.625   5.098
  643    HG1  THR  82          1HG       THR  82   8.758  -6.097   6.643
  644   1HG2  THR  82          1HG2      THR  82   9.852  -4.878   3.953
  645   2HG2  THR  82          3HG2      THR  82  10.320  -5.075   5.641
  646   3HG2  THR  82          2HG2      THR  82  11.148  -5.993   4.384
  647    H    CYS  83           HN       CYS  83   6.192  -6.775   4.732
  648    HA   CYS  83           HA       CYS  83   5.551  -9.551   5.015
  649   1HB   CYS  83          2HB       CYS  83   4.472  -7.671   6.227
  650   2HB   CYS  83          1HB       CYS  83   3.743  -7.126   4.718
  651    H    GLU  84           HN       GLU  84   4.798  -7.211   2.435
  652    HA   GLU  84           HA       GLU  84   3.157  -8.943   0.841
  653   1HB   GLU  84          2HB       GLU  84   4.942  -6.577   0.196
  654   2HB   GLU  84          1HB       GLU  84   3.780  -7.268  -0.938
  655   1HG   GLU  84          2HG       GLU  84   1.967  -6.853   0.731
  656   2HG   GLU  84          1HG       GLU  84   3.149  -6.065   1.775
  657    H    ILE  85           HN       ILE  85   6.665  -8.484   1.046
  658    HA   ILE  85           HA       ILE  85   7.110 -10.340  -1.231
  659    HB   ILE  85           HB       ILE  85   9.423  -9.603  -1.001
  660   1HG1  ILE  85          2HG1      ILE  85   8.450  -8.304   1.557
  661   2HG1  ILE  85          1HG1      ILE  85   9.576  -9.655   1.441
  662   1HG2  ILE  85          3HG2      ILE  85   7.184  -7.829  -1.315
  663   2HG2  ILE  85          2HG2      ILE  85   8.493  -6.961  -0.514
  664   3HG2  ILE  85          1HG2      ILE  85   8.773  -7.733  -2.074
  665   1HD1  ILE  85          3HD1      ILE  85  10.917  -7.974  -0.110
  666   2HD1  ILE  85          2HD1      ILE  85  10.005  -6.762   0.789
  667   3HD1  ILE  85          1HD1      ILE  85  11.064  -7.882   1.645
  668    H    CYS  86           HN       CYS  86   6.244 -10.879   1.813
  669    HA   CYS  86           HA       CYS  86   6.460 -12.784   3.204
  670   1HB   CYS  86          2HB       CYS  86   6.964 -13.595   0.645
  671   2HB   CYS  86          1HB       CYS  86   8.482 -14.028   1.432
  672    H    ALA  87           HN       ALA  87   8.664 -10.483   2.811
  673    HA   ALA  87           HA       ALA  87  11.174 -11.510   3.663
  674   1HB   ALA  87          3HB       ALA  87  11.123  -9.051   4.753
  675   2HB   ALA  87          1HB       ALA  87   9.685  -8.923   3.740
  676   3HB   ALA  87          2HB       ALA  87  11.247  -9.293   3.010
  677    H    TYR  88           HN       TYR  88   8.275 -10.618   5.503
  678    HA   TYR  88           HA       TYR  88   9.586 -11.728   7.967
  679   1HB   TYR  88          2HB       TYR  88   9.123  -9.211   7.789
  680   2HB   TYR  88          1HB       TYR  88   7.410  -9.627   7.834
  681    HD1  TYR  88           HD1      TYR  88  10.580 -10.463   9.678
  682    HD2  TYR  88           HD2      TYR  88   6.366  -9.656   9.910
  683    HE1  TYR  88           HE1      TYR  88  10.682 -10.639  12.150
  684    HE2  TYR  88           HE2      TYR  88   6.468  -9.833  12.381
  685    HH   TYR  88           HH       TYR  88   7.891 -10.871  14.091
  686    H    ALA  89           HN       ALA  89   7.906 -12.622   9.537
  687    HA   ALA  89           HA       ALA  89   6.135 -14.473   8.178
  688   1HB   ALA  89          3HB       ALA  89   6.907 -15.335  10.168
  689   2HB   ALA  89          1HB       ALA  89   5.431 -14.596  10.790
  690   3HB   ALA  89          2HB       ALA  89   6.972 -13.753  10.943
  691    H    ALA  90           HN       ALA  90   5.819 -11.209   8.982
  692    HA   ALA  90           HA       ALA  90   3.217 -10.854   9.953
  693   1HB   ALA  90          2HB       ALA  90   5.093  -9.392   8.146
  694   2HB   ALA  90          1HB       ALA  90   3.442  -8.787   8.277
  695   3HB   ALA  90          3HB       ALA  90   4.452  -8.912   9.717
  696    H    CYS  91           HN       CYS  91   4.239 -11.569   6.615
  697    HA   CYS  91           HA       CYS  91   1.378 -11.577   5.762
  698   1HB   CYS  91          2HB       CYS  91   3.992 -10.985   4.605
  699   2HB   CYS  91          1HB       CYS  91   2.998 -11.996   3.557
  700    H    THR  92           HN       THR  92   0.408 -13.577   5.783
  701    HA   THR  92           HA       THR  92   2.098 -16.018   5.565
  702    HB   THR  92           HB       THR  92   0.201 -17.103   6.553
  703    HG1  THR  92          1HG       THR  92  -1.136 -14.818   5.604
  704   1HG2  THR  92          3HG2      THR  92   1.522 -15.207   7.849
  705   2HG2  THR  92          2HG2      THR  92  -0.048 -14.406   7.824
  706   3HG2  THR  92          1HG2      THR  92   0.122 -15.989   8.582
  707    H    GLY  93           HN       GLY  93   0.811 -17.858   4.304
  708   1HA   GLY  93          1HA       GLY  93  -0.617 -16.831   1.933
  709   2HA   GLY  93          2HA       GLY  93  -0.384 -18.530   2.345
  710    H    CYS  94           HN       CYS  94   2.525 -16.915   2.726
  711    HA   CYS  94           HA       CYS  94   3.374 -17.553  -0.081
  712   1HB   CYS  94          2HB       CYS  94   5.131 -15.826   0.379
  713   2HB   CYS  94          1HB       CYS  94   3.495 -15.180   0.512

  No H/Q in entry =         713
  Start of MODEL   28
    1    H1   VAL   1          1H        VAL   1  -1.054 -10.902   0.069
    2    H2   VAL   1          3H        VAL   1   0.138 -11.950  -0.529
    3    H3   VAL   1          2H        VAL   1  -1.166 -12.571   0.365
    4    HA   VAL   1           HA       VAL   1   0.706 -12.538   1.823
    5    HB   VAL   1           HB       VAL   1   1.790 -10.194   2.083
    6   1HG1  VAL   1          2HG1      VAL   1   2.195 -12.336   0.224
    7   2HG1  VAL   1          1HG1      VAL   1   2.583 -10.817  -0.584
    8   3HG1  VAL   1          3HG1      VAL   1   3.398 -11.250   0.918
    9   1HG2  VAL   1          2HG2      VAL   1  -0.008  -8.975   0.893
   10   2HG2  VAL   1          1HG2      VAL   1   1.555  -8.739   0.112
   11   3HG2  VAL   1          3HG2      VAL   1   0.382  -9.857  -0.583
   12    H    THR   2           HN       THR   2  -1.521 -12.799   2.888
   13    HA   THR   2           HA       THR   2  -2.655 -10.354   4.099
   14    HB   THR   2           HB       THR   2  -3.362 -13.288   4.418
   15    HG1  THR   2          1HG       THR   2  -4.774 -12.933   2.743
   16   1HG2  THR   2          2HG2      THR   2  -4.756 -10.695   5.084
   17   2HG2  THR   2          1HG2      THR   2  -5.650 -12.202   4.874
   18   3HG2  THR   2          3HG2      THR   2  -4.433 -12.067   6.144
   19    H    VAL   3           HN       VAL   3  -2.705 -10.001   6.390
   20    HA   VAL   3           HA       VAL   3  -0.372 -11.006   7.843
   21    HB   VAL   3           HB       VAL   3  -2.718  -9.217   8.559
   22   1HG1  VAL   3          1HG1      VAL   3  -0.253 -10.045  10.077
   23   2HG1  VAL   3          3HG1      VAL   3  -0.995  -8.472  10.367
   24   3HG1  VAL   3          2HG1      VAL   3  -1.919  -9.948  10.646
   25   1HG2  VAL   3          1HG2      VAL   3   0.071  -8.756   7.517
   26   2HG2  VAL   3          3HG2      VAL   3  -1.450  -8.104   6.914
   27   3HG2  VAL   3          2HG2      VAL   3  -0.769  -7.500   8.424
   28    H    GLN   4           HN       GLN   4  -0.593 -13.162   8.491
   29    HA   GLN   4           HA       GLN   4  -3.160 -13.946   9.818
   30   1HB   GLN   4          2HB       GLN   4  -2.331 -15.199   7.808
   31   2HB   GLN   4          1HB       GLN   4  -0.890 -15.640   8.725
   32   1HG   GLN   4          2HG       GLN   4  -2.423 -16.649  10.468
   33   2HG   GLN   4          1HG       GLN   4  -3.761 -16.384   9.350
   34   1HE2  GLN   4          1HE2      GLN   4  -4.219 -18.228   8.157
   35   2HE2  GLN   4          2HE2      GLN   4  -3.077 -19.377   7.649
   36    H    ASP   5           HN       ASP   5  -3.090 -14.075  12.023
   37    HA   ASP   5           HA       ASP   5  -0.434 -14.214  13.375
   38   1HB   ASP   5          2HB       ASP   5  -3.246 -13.504  14.269
   39   2HB   ASP   5          1HB       ASP   5  -1.847 -13.508  15.343
   40    H    GLY   6           HN       GLY   6  -2.630 -16.383  12.270
   41   1HA   GLY   6          1HA       GLY   6  -3.310 -18.030  14.466
   42   2HA   GLY   6          2HA       GLY   6  -1.708 -18.528  13.924
   43    H    ASN   7           HN       ASN   7  -4.560 -19.720  13.715
   44    HA   ASN   7           HA       ASN   7  -4.178 -20.882  11.057
   45   1HB   ASN   7          2HB       ASN   7  -6.342 -21.139  13.171
   46   2HB   ASN   7          1HB       ASN   7  -6.187 -22.186  11.760
   47   1HD2  ASN   7          1HD2      ASN   7  -5.996 -23.253  14.409
   48   2HD2  ASN   7          2HD2      ASN   7  -4.402 -23.778  14.665
   49    H    PHE   8           HN       PHE   8  -5.502 -17.994  12.044
   50    HA   PHE   8           HA       PHE   8  -7.555 -18.016   9.854
   51   1HB   PHE   8          2HB       PHE   8  -7.329 -16.338  12.375
   52   2HB   PHE   8          1HB       PHE   8  -8.650 -16.259  11.208
   53    HD1  PHE   8           HD1      PHE   8  -7.056 -18.271  13.849
   54    HD2  PHE   8           HD2      PHE   8 -10.279 -18.072  11.016
   55    HE1  PHE   8           HE1      PHE   8  -8.180 -20.161  14.996
   56    HE2  PHE   8           HE2      PHE   8 -11.403 -19.963  12.162
   57    HZ   PHE   8           HZ       PHE   8 -10.354 -21.007  14.152
   58    H    SER   9           HN       SER   9  -7.158 -16.639   8.165
   59    HA   SER   9           HA       SER   9  -4.761 -14.927   8.230
   60   1HB   SER   9          2HB       SER   9  -6.860 -15.474   6.105
   61   2HB   SER   9          1HB       SER   9  -5.309 -14.681   5.832
   62    HG   SER   9           HG       SER   9  -4.507 -16.750   6.923
   63    H    PHE  10           HN       PHE  10  -4.807 -12.698   8.414
   64    HA   PHE  10           HA       PHE  10  -7.507 -11.403   8.612
   65   1HB   PHE  10          2HB       PHE  10  -4.836 -10.851   9.940
   66   2HB   PHE  10          1HB       PHE  10  -6.228  -9.781  10.085
   67    HD1  PHE  10           HD1      PHE  10  -8.516 -11.131  10.648
   68    HD2  PHE  10           HD2      PHE  10  -4.536 -12.399  11.653
   69    HE1  PHE  10           HE1      PHE  10  -9.426 -12.554  12.463
   70    HE2  PHE  10           HE2      PHE  10  -5.448 -13.823  13.467
   71    HZ   PHE  10           HZ       PHE  10  -7.894 -13.901  13.871
   72    H    SER  11           HN       SER  11  -7.925  -9.928   7.017
   73    HA   SER  11           HA       SER  11  -5.935  -9.209   5.028
   74   1HB   SER  11          2HB       SER  11  -8.379  -9.493   4.634
   75   2HB   SER  11          1HB       SER  11  -8.687  -8.078   5.641
   76    HG   SER  11           HG       SER  11  -7.761  -8.246   3.061
   77    H    LEU  12           HN       LEU  12  -5.567  -6.800   4.505
   78    HA   LEU  12           HA       LEU  12  -4.852  -5.386   7.032
   79   1HB   LEU  12          2HB       LEU  12  -4.009  -5.157   4.128
   80   2HB   LEU  12          1HB       LEU  12  -3.448  -4.051   5.382
   81    HG   LEU  12           HG       LEU  12  -1.782  -5.778   5.167
   82   1HD1  LEU  12          1HD1      LEU  12  -3.059  -5.200   7.533
   83   2HD1  LEU  12          3HD1      LEU  12  -3.126  -6.962   7.505
   84   3HD1  LEU  12          2HD1      LEU  12  -1.571  -6.137   7.401
   85   1HD2  LEU  12          2HD2      LEU  12  -3.687  -7.358   4.174
   86   2HD2  LEU  12          1HD2      LEU  12  -2.228  -8.033   4.900
   87   3HD2  LEU  12          3HD2      LEU  12  -3.723  -7.953   5.833
   88    H    GLU  13           HN       GLU  13  -7.329  -5.382   4.756
   89    HA   GLU  13           HA       GLU  13  -7.736  -2.547   4.365
   90   1HB   GLU  13          2HB       GLU  13  -9.634  -4.917   4.294
   91   2HB   GLU  13          1HB       GLU  13  -9.968  -3.328   3.607
   92   1HG   GLU  13          2HG       GLU  13  -8.016  -3.567   2.110
   93   2HG   GLU  13          1HG       GLU  13  -7.696  -5.163   2.789
   94    H    SER  14           HN       SER  14  -9.929  -4.718   6.160
   95    HA   SER  14           HA       SER  14 -11.342  -2.909   7.669
   96   1HB   SER  14          2HB       SER  14 -10.134  -5.425   8.833
   97   2HB   SER  14          1HB       SER  14 -11.714  -4.725   9.183
   98    HG   SER  14           HG       SER  14 -12.010  -5.041   6.776
   99    H    VAL  15           HN       VAL  15  -8.189  -4.298   8.686
  100    HA   VAL  15           HA       VAL  15  -7.954  -2.741  11.074
  101    HB   VAL  15           HB       VAL  15  -5.544  -3.408  10.845
  102   1HG1  VAL  15          2HG1      VAL  15  -7.759  -4.944  11.346
  103   2HG1  VAL  15          1HG1      VAL  15  -6.977  -5.865  10.059
  104   3HG1  VAL  15          3HG1      VAL  15  -6.096  -5.501  11.544
  105   1HG2  VAL  15          2HG2      VAL  15  -6.545  -4.293   8.129
  106   2HG2  VAL  15          1HG2      VAL  15  -5.170  -3.252   8.492
  107   3HG2  VAL  15          3HG2      VAL  15  -5.095  -4.973   8.867
  108    H    LYS  16           HN       LYS  16  -6.606  -2.210   7.789
  109    HA   LYS  16           HA       LYS  16  -5.280   0.244   8.300
  110   1HB   LYS  16          2HB       LYS  16  -5.110  -1.106   6.237
  111   2HB   LYS  16          1HB       LYS  16  -6.788  -0.725   5.848
  112   1HG   LYS  16          2HG       LYS  16  -6.203   1.687   5.777
  113   2HG   LYS  16          1HG       LYS  16  -4.520   1.274   6.104
  114   1HD   LYS  16          2HD       LYS  16  -4.777   1.551   3.708
  115   2HD   LYS  16          1HD       LYS  16  -4.547  -0.166   4.041
  116   1HE   LYS  16          2HE       LYS  16  -6.491  -0.560   2.937
  117   2HE   LYS  16          1HE       LYS  16  -7.340   0.311   4.228
  118   1HZ   LYS  16          1HZ       LYS  16  -5.950   1.649   1.965
  119   2HZ   LYS  16          3HZ       LYS  16  -7.611   1.305   1.963
  120   3HZ   LYS  16          2HZ       LYS  16  -6.968   2.371   3.118
  121    H    LYS  17           HN       LYS  17  -8.589  -0.246   6.990
  122    HA   LYS  17           HA       LYS  17  -9.303   2.565   7.425
  123   1HB   LYS  17          2HB       LYS  17 -10.859   0.070   6.654
  124   2HB   LYS  17          1HB       LYS  17 -11.514   1.706   6.604
  125   1HG   LYS  17          2HG       LYS  17  -9.705   2.351   5.018
  126   2HG   LYS  17          1HG       LYS  17  -9.137   0.680   5.024
  127   1HD   LYS  17          2HD       LYS  17 -11.413  -0.034   4.249
  128   2HD   LYS  17          1HD       LYS  17 -11.854   1.668   4.107
  129   1HE   LYS  17          2HE       LYS  17 -10.340   2.033   2.326
  130   2HE   LYS  17          1HE       LYS  17  -9.400   0.579   2.712
  131   1HZ   LYS  17          2HZ       LYS  17 -11.961  -0.324   2.398
  132   2HZ   LYS  17          1HZ       LYS  17 -11.804   0.832   1.163
  133   3HZ   LYS  17          3HZ       LYS  17 -10.717  -0.465   1.251
  134    H    LEU  18           HN       LEU  18  -8.767   0.190   9.575
  135    HA   LEU  18           HA       LEU  18 -11.051  -0.142  11.180
  136   1HB   LEU  18          2HB       LEU  18  -8.809  -1.250  11.345
  137   2HB   LEU  18          1HB       LEU  18  -8.158   0.243  12.025
  138    HG   LEU  18           HG       LEU  18  -9.519   0.060  13.976
  139   1HD1  LEU  18          3HD1      LEU  18 -10.974  -2.138  12.476
  140   2HD1  LEU  18          2HD1      LEU  18 -11.250  -1.744  14.173
  141   3HD1  LEU  18          1HD1      LEU  18 -11.624  -0.560  12.919
  142   1HD2  LEU  18          3HD2      LEU  18  -7.565  -1.598  13.684
  143   2HD2  LEU  18          2HD2      LEU  18  -8.752  -1.980  14.932
  144   3HD2  LEU  18          1HD2      LEU  18  -8.804  -2.818  13.382
  145    H    LYS  19           HN       LYS  19  -8.774   2.588  11.016
  146    HA   LYS  19           HA       LYS  19  -9.576   4.030  13.317
  147   1HB   LYS  19          2HB       LYS  19  -7.676   4.528  11.761
  148   2HB   LYS  19          1HB       LYS  19  -8.843   5.080  10.561
  149   1HG   LYS  19          2HG       LYS  19  -9.665   6.778  12.190
  150   2HG   LYS  19          1HG       LYS  19  -8.419   6.259  13.324
  151   1HD   LYS  19          2HD       LYS  19  -6.690   6.810  11.602
  152   2HD   LYS  19          1HD       LYS  19  -7.971   7.443  10.568
  153   1HE   LYS  19          2HE       LYS  19  -8.502   8.768  12.906
  154   2HE   LYS  19          1HE       LYS  19  -6.733   8.648  12.972
  155   1HZ   LYS  19          1HZ       LYS  19  -6.959   9.247  10.453
  156   2HZ   LYS  19          3HZ       LYS  19  -8.444   9.908  10.935
  157   3HZ   LYS  19          2HZ       LYS  19  -7.000  10.477  11.623
  158    H    ASP  20           HN       ASP  20 -10.985   3.969  10.043
  159    HA   ASP  20           HA       ASP  20 -13.278   5.624  11.014
  160   1HB   ASP  20          2HB       ASP  20 -12.018   6.330   8.994
  161   2HB   ASP  20          1HB       ASP  20 -12.389   4.783   8.232
  162    H    LEU  21           HN       LEU  21 -14.767   4.211  11.927
  163    HA   LEU  21           HA       LEU  21 -15.193   1.505  11.466
  164   1HB   LEU  21          2HB       LEU  21 -16.290   3.274  13.053
  165   2HB   LEU  21          1HB       LEU  21 -17.492   3.428  11.773
  166    HG   LEU  21           HG       LEU  21 -18.031   1.072  11.908
  167   1HD1  LEU  21          1HD1      LEU  21 -15.426   0.976  13.218
  168   2HD1  LEU  21          3HD1      LEU  21 -16.651   0.096  14.131
  169   3HD1  LEU  21          2HD1      LEU  21 -16.336  -0.323  12.446
  170   1HD2  LEU  21          1HD2      LEU  21 -17.789   2.335  14.655
  171   2HD2  LEU  21          3HD2      LEU  21 -19.159   2.474  13.554
  172   3HD2  LEU  21          2HD2      LEU  21 -18.776   0.919  14.292
  173    H    GLN  22           HN       GLN  22 -16.580   4.218   9.598
  174    HA   GLN  22           HA       GLN  22 -18.210   2.618   7.864
  175   1HB   GLN  22          2HB       GLN  22 -16.877   5.324   7.538
  176   2HB   GLN  22          1HB       GLN  22 -18.142   4.707   6.475
  177   1HG   GLN  22          2HG       GLN  22 -19.675   4.521   8.398
  178   2HG   GLN  22          1HG       GLN  22 -18.410   5.120   9.469
  179   1HE2  GLN  22          1HE2      GLN  22 -20.865   6.541   9.220
  180   2HE2  GLN  22          2HE2      GLN  22 -20.566   8.011   8.426
  181    H    GLU  23           HN       GLU  23 -17.307   0.986   6.646
  182    HA   GLU  23           HA       GLU  23 -14.849   1.648   5.057
  183   1HB   GLU  23          2HB       GLU  23 -15.668  -1.019   6.252
  184   2HB   GLU  23          1HB       GLU  23 -14.143  -0.655   5.445
  185   1HG   GLU  23          2HG       GLU  23 -13.308   0.502   7.248
  186   2HG   GLU  23          1HG       GLU  23 -14.896   1.090   7.738
  187    HA   PRO  24           HA       PRO  24 -17.636   0.790   1.680
  188   1HB   PRO  24          2HB       PRO  24 -15.358   0.499  -0.051
  189   2HB   PRO  24          1HB       PRO  24 -16.449   1.879   0.088
  190   1HG   PRO  24          2HG       PRO  24 -13.724   1.696   0.968
  191   2HG   PRO  24          1HG       PRO  24 -14.824   3.068   1.128
  192   1HD   PRO  24          2HD       PRO  24 -13.880   1.287   3.206
  193   2HD   PRO  24          1HD       PRO  24 -14.957   2.694   3.374
  194    H    GLN  25           HN       GLN  25 -18.141  -1.080   0.355
  195    HA   GLN  25           HA       GLN  25 -17.526  -3.626   1.458
  196   1HB   GLN  25          2HB       GLN  25 -18.493  -2.760  -1.286
  197   2HB   GLN  25          1HB       GLN  25 -18.562  -4.420  -0.693
  198   1HG   GLN  25          2HG       GLN  25 -19.960  -3.673   1.208
  199   2HG   GLN  25          1HG       GLN  25 -19.906  -2.022   0.592
  200   1HE2  GLN  25          1HE2      GLN  25 -22.411  -3.314   0.846
  201   2HE2  GLN  25          2HE2      GLN  25 -23.027  -3.649  -0.699
  202    H    GLU  26           HN       GLU  26 -15.914  -5.118   0.996
  203    HA   GLU  26           HA       GLU  26 -13.916  -4.369  -1.117
  204   1HB   GLU  26          2HB       GLU  26 -13.714  -5.136   1.751
  205   2HB   GLU  26          1HB       GLU  26 -12.493  -5.820   0.678
  206   1HG   GLU  26          2HG       GLU  26 -13.177  -2.870   0.854
  207   2HG   GLU  26          1HG       GLU  26 -11.794  -3.628   1.644
  208    HA   PRO  27           HA       PRO  27 -15.818  -8.479  -2.131
  209   1HB   PRO  27          2HB       PRO  27 -15.202  -7.823  -4.862
  210   2HB   PRO  27          1HB       PRO  27 -16.790  -7.929  -4.100
  211   1HG   PRO  27          2HG       PRO  27 -15.392  -5.566  -4.945
  212   2HG   PRO  27          1HG       PRO  27 -16.982  -5.673  -4.186
  213   1HD   PRO  27          2HD       PRO  27 -14.523  -4.708  -3.020
  214   2HD   PRO  27          1HD       PRO  27 -16.127  -4.816  -2.255
  215    H    ARG  28           HN       ARG  28 -13.429  -7.507  -4.561
  216    HA   ARG  28           HA       ARG  28 -11.461  -9.429  -3.389
  217   1HB   ARG  28          2HB       ARG  28 -12.554  -9.339  -6.217
  218   2HB   ARG  28          1HB       ARG  28 -11.184 -10.332  -5.721
  219   1HG   ARG  28          2HG       ARG  28 -12.650 -11.438  -4.029
  220   2HG   ARG  28          1HG       ARG  28 -14.014 -10.501  -4.641
  221   1HD   ARG  28          2HD       ARG  28 -13.585 -11.499  -6.922
  222   2HD   ARG  28          1HD       ARG  28 -12.375 -12.555  -6.168
  223    HE   ARG  28           HE       ARG  28 -14.818 -12.661  -4.659
  224   1HH1  ARG  28          1HH1      ARG  28 -12.970 -14.066  -7.157
  225   2HH1  ARG  28          2HH1      ARG  28 -14.148 -15.272  -7.557
  226   1HH2  ARG  28          1HH2      ARG  28 -16.544 -14.033  -5.377
  227   2HH2  ARG  28          2HH2      ARG  28 -16.171 -15.253  -6.549
  228    H    VAL  29           HN       VAL  29  -9.280  -8.935  -3.917
  229    HA   VAL  29           HA       VAL  29  -7.506  -7.421  -4.330
  230    HB   VAL  29           HB       VAL  29  -9.181  -6.992  -6.822
  231   1HG1  VAL  29          3HG1      VAL  29  -6.262  -6.711  -6.126
  232   2HG1  VAL  29          2HG1      VAL  29  -6.767  -7.001  -7.791
  233   3HG1  VAL  29          1HG1      VAL  29  -7.316  -5.557  -6.941
  234   1HG2  VAL  29          2HG2      VAL  29  -7.316  -9.255  -6.053
  235   2HG2  VAL  29          1HG2      VAL  29  -9.044  -9.377  -6.383
  236   3HG2  VAL  29          3HG2      VAL  29  -7.923  -8.985  -7.687
  237    H    GLY  30           HN       GLY  30  -7.696  -5.696  -2.870
  238   1HA   GLY  30          1HA       GLY  30  -8.561  -3.646  -2.000
  239   2HA   GLY  30          2HA       GLY  30  -9.670  -3.564  -3.370
  240    H    LYS  31           HN       LYS  31  -8.522  -1.229  -2.938
  241    HA   LYS  31           HA       LYS  31  -6.747  -0.866  -5.249
  242   1HB   LYS  31          2HB       LYS  31  -7.927   1.009  -3.174
  243   2HB   LYS  31          1HB       LYS  31  -7.065   1.536  -4.620
  244   1HG   LYS  31          2HG       LYS  31  -8.734   0.290  -6.009
  245   2HG   LYS  31          1HG       LYS  31  -9.628  -0.086  -4.536
  246   1HD   LYS  31          2HD       LYS  31  -9.811   2.376  -4.088
  247   2HD   LYS  31          1HD       LYS  31  -9.056   2.676  -5.653
  248   1HE   LYS  31          2HE       LYS  31 -10.933   2.008  -6.834
  249   2HE   LYS  31          1HE       LYS  31 -11.426   0.844  -5.590
  250   1HZ   LYS  31          1HZ       LYS  31 -11.309   3.665  -4.829
  251   2HZ   LYS  31          3HZ       LYS  31 -12.587   3.206  -5.845
  252   3HZ   LYS  31          2HZ       LYS  31 -12.394   2.455  -4.333
  253    H    LEU  32           HN       LEU  32  -6.089   1.308  -2.695
  254    HA   LEU  32           HA       LEU  32  -3.400   0.048  -2.310
  255   1HB   LEU  32          2HB       LEU  32  -4.377   2.897  -1.922
  256   2HB   LEU  32          1HB       LEU  32  -2.702   2.356  -1.807
  257    HG   LEU  32           HG       LEU  32  -4.462   2.252  -4.276
  258   1HD1  LEU  32          2HD1      LEU  32  -2.541   4.170  -3.194
  259   2HD1  LEU  32          1HD1      LEU  32  -2.100   3.627  -4.813
  260   3HD1  LEU  32          3HD1      LEU  32  -3.680   4.359  -4.527
  261   1HD2  LEU  32          3HD2      LEU  32  -1.637   1.274  -3.770
  262   2HD2  LEU  32          2HD2      LEU  32  -3.029   0.299  -4.243
  263   3HD2  LEU  32          1HD2      LEU  32  -2.339   1.461  -5.377
  264    H    ARG  33           HN       ARG  33  -2.673  -0.340  -0.192
  265    HA   ARG  33           HA       ARG  33  -4.630   0.257   2.003
  266   1HB   ARG  33          2HB       ARG  33  -2.832  -2.143   1.532
  267   2HB   ARG  33          1HB       ARG  33  -3.836  -1.915   2.963
  268   1HG   ARG  33          2HG       ARG  33  -5.837  -1.752   1.452
  269   2HG   ARG  33          1HG       ARG  33  -4.790  -2.168   0.096
  270   1HD   ARG  33          2HD       ARG  33  -5.218  -3.892   2.566
  271   2HD   ARG  33          1HD       ARG  33  -5.923  -4.191   0.966
  272    HE   ARG  33           HE       ARG  33  -3.073  -3.822   0.742
  273   1HH1  ARG  33          1HH1      ARG  33  -5.129  -5.966   2.424
  274   2HH1  ARG  33          2HH1      ARG  33  -4.335  -7.401   1.867
  275   1HH2  ARG  33          1HH2      ARG  33  -2.189  -5.706  -0.264
  276   2HH2  ARG  33          2HH2      ARG  33  -2.671  -7.253   0.346
  277    H    ASN  34           HN       ASN  34  -2.997   2.267   1.874
  278    HA   ASN  34           HA       ASN  34  -0.788   1.690   3.820
  279   1HB   ASN  34          2HB       ASN  34   0.664   3.090   2.534
  280   2HB   ASN  34          1HB       ASN  34  -0.140   2.046   1.361
  281   1HD2  ASN  34          1HD2      ASN  34  -1.195   3.107  -0.335
  282   2HD2  ASN  34          2HD2      ASN  34  -1.605   4.754  -0.342
  283    H    PHE  35           HN       PHE  35  -3.675   2.987   3.752
  284    HA   PHE  35           HA       PHE  35  -3.026   5.692   4.790
  285   1HB   PHE  35          2HB       PHE  35  -4.844   5.306   3.142
  286   2HB   PHE  35          1HB       PHE  35  -5.650   4.245   4.297
  287    HD1  PHE  35           HD1      PHE  35  -4.701   7.729   3.535
  288    HD2  PHE  35           HD2      PHE  35  -6.758   5.134   6.272
  289    HE1  PHE  35           HE1      PHE  35  -5.778   9.697   4.593
  290    HE2  PHE  35           HE2      PHE  35  -7.835   7.102   7.329
  291    HZ   PHE  35           HZ       PHE  35  -7.344   9.384   6.490
  292    H    ALA  36           HN       ALA  36  -2.936   2.714   6.110
  293    HA   ALA  36           HA       ALA  36  -4.627   2.877   8.424
  294   1HB   ALA  36          2HB       ALA  36  -3.001   1.035   7.230
  295   2HB   ALA  36          3HB       ALA  36  -3.658   0.850   8.856
  296   3HB   ALA  36          1HB       ALA  36  -2.027   1.478   8.632
  297    HA   PRO  37           HA       PRO  37  -2.512   6.014  10.735
  298   1HB   PRO  37          2HB       PRO  37  -3.465   4.861  13.193
  299   2HB   PRO  37          1HB       PRO  37  -4.093   6.271  12.338
  300   1HG   PRO  37          2HG       PRO  37  -5.303   3.685  12.585
  301   2HG   PRO  37          1HG       PRO  37  -5.915   5.085  11.702
  302   1HD   PRO  37          2HD       PRO  37  -4.807   2.638  10.622
  303   2HD   PRO  37          1HD       PRO  37  -5.471   4.028   9.732
  304    H    ILE  38           HN       ILE  38  -1.734   5.293  13.508
  305    HA   ILE  38           HA       ILE  38   0.530   3.419  12.899
  306    HB   ILE  38           HB       ILE  38   1.726   4.873  14.628
  307   1HG1  ILE  38          2HG1      ILE  38  -0.653   5.791  15.335
  308   2HG1  ILE  38          1HG1      ILE  38   0.762   6.839  15.405
  309   1HG2  ILE  38          1HG2      ILE  38   0.811   5.787  11.922
  310   2HG2  ILE  38          3HG2      ILE  38   1.776   6.882  12.913
  311   3HG2  ILE  38          2HG2      ILE  38   2.424   5.309  12.453
  312   1HD1  ILE  38          1HD1      ILE  38  -0.604   6.778  12.784
  313   2HD1  ILE  38          3HD1      ILE  38  -1.550   7.479  14.095
  314   3HD1  ILE  38          2HD1      ILE  38   0.030   8.151  13.692
  315    HA   PRO  39           HA       PRO  39  -0.604   0.910  16.310
  316   1HB   PRO  39          2HB       PRO  39   2.006   0.894  17.517
  317   2HB   PRO  39          1HB       PRO  39   1.278  -0.340  16.486
  318   1HG   PRO  39          2HG       PRO  39   3.403   1.481  15.830
  319   2HG   PRO  39          1HG       PRO  39   2.674   0.248  14.799
  320   1HD   PRO  39          2HD       PRO  39   2.385   3.115  14.607
  321   2HD   PRO  39          1HD       PRO  39   1.654   1.871  13.566
  322    H    GLY  40           HN       GLY  40  -0.659   0.905  18.763
  323   1HA   GLY  40          1HA       GLY  40  -0.050   3.566  19.957
  324   2HA   GLY  40          2HA       GLY  40  -0.311   2.081  20.873
  325    H    GLU  41           HN       GLU  41  -2.615   1.815  18.649
  326    HA   GLU  41           HA       GLU  41  -4.603   3.421  20.226
  327   1HB   GLU  41          2HB       GLU  41  -4.171   4.286  17.952
  328   2HB   GLU  41          1HB       GLU  41  -4.545   2.702  17.276
  329   1HG   GLU  41          2HG       GLU  41  -6.643   3.586  17.074
  330   2HG   GLU  41          1HG       GLU  41  -6.773   3.123  18.771
  331    HA   PRO  42           HA       PRO  42  -5.481  -1.155  20.556
  332   1HB   PRO  42          2HB       PRO  42  -6.475  -0.530  23.183
  333   2HB   PRO  42          1HB       PRO  42  -5.038  -1.462  22.755
  334   1HG   PRO  42          2HG       PRO  42  -5.162   1.186  23.871
  335   2HG   PRO  42          1HG       PRO  42  -3.726   0.246  23.460
  336   1HD   PRO  42          2HD       PRO  42  -4.768   2.563  22.096
  337   2HD   PRO  42          1HD       PRO  42  -3.336   1.598  21.665
  338    H    VAL  43           HN       VAL  43  -7.541  -2.008  20.181
  339    HA   VAL  43           HA       VAL  43  -9.855  -0.111  20.423
  340    HB   VAL  43           HB       VAL  43 -10.679  -1.154  18.369
  341   1HG1  VAL  43          2HG1      VAL  43  -8.489   0.498  18.548
  342   2HG1  VAL  43          1HG1      VAL  43  -7.868  -0.818  17.552
  343   3HG1  VAL  43          3HG1      VAL  43  -9.301   0.075  17.041
  344   1HG2  VAL  43          1HG2      VAL  43  -8.673  -3.162  19.114
  345   2HG2  VAL  43          3HG2      VAL  43 -10.113  -3.334  18.110
  346   3HG2  VAL  43          2HG2      VAL  43  -8.616  -2.723  17.406
  347    H    VAL  44           HN       VAL  44  -9.506  -1.523  22.670
  348    HA   VAL  44           HA       VAL  44 -11.570  -3.677  22.489
  349    HB   VAL  44           HB       VAL  44  -9.022  -3.899  24.110
  350   1HG1  VAL  44          2HG1      VAL  44 -11.361  -5.349  24.178
  351   2HG1  VAL  44          1HG1      VAL  44 -10.379  -6.291  23.055
  352   3HG1  VAL  44          3HG1      VAL  44  -9.785  -5.961  24.683
  353   1HG2  VAL  44          3HG2      VAL  44  -9.529  -4.402  21.215
  354   2HG2  VAL  44          2HG2      VAL  44  -8.034  -3.942  22.031
  355   3HG2  VAL  44          1HG2      VAL  44  -8.590  -5.615  22.086
  356    HA   PRO  45           HA       PRO  45 -12.132  -0.460  25.910
  357   1HB   PRO  45          2HB       PRO  45 -14.884  -0.365  25.057
  358   2HB   PRO  45          1HB       PRO  45 -13.674   0.912  24.965
  359   1HG   PRO  45          2HG       PRO  45 -14.774  -0.647  22.815
  360   2HG   PRO  45          1HG       PRO  45 -13.578   0.648  22.718
  361   1HD   PRO  45          2HD       PRO  45 -13.154  -2.179  22.345
  362   2HD   PRO  45          1HD       PRO  45 -11.942  -0.878  22.276
  363    H    ILE  46           HN       ILE  46 -15.312  -1.210  26.190
  364    HA   ILE  46           HA       ILE  46 -14.933  -3.080  28.363
  365    HB   ILE  46           HB       ILE  46 -17.417  -2.427  26.733
  366   1HG1  ILE  46          2HG1      ILE  46 -16.483  -0.335  27.435
  367   2HG1  ILE  46          1HG1      ILE  46 -17.764  -0.710  28.586
  368   1HG2  ILE  46          2HG2      ILE  46 -16.941  -4.141  28.965
  369   2HG2  ILE  46          1HG2      ILE  46 -17.861  -2.753  29.544
  370   3HG2  ILE  46          3HG2      ILE  46 -18.488  -3.734  28.219
  371   1HD1  ILE  46          1HD1      ILE  46 -15.764  -1.913  29.872
  372   2HD1  ILE  46          3HD1      ILE  46 -14.797  -0.750  28.967
  373   3HD1  ILE  46          2HD1      ILE  46 -16.058  -0.185  30.062
  374    H    LEU  47           HN       LEU  47 -15.707  -3.280  24.968
  375    HA   LEU  47           HA       LEU  47 -15.275  -6.232  25.019
  376   1HB   LEU  47          2HB       LEU  47 -17.446  -4.703  23.532
  377   2HB   LEU  47          1HB       LEU  47 -17.201  -6.449  23.487
  378    HG   LEU  47           HG       LEU  47 -17.926  -4.796  25.926
  379   1HD1  LEU  47          1HD1      LEU  47 -19.533  -5.842  23.894
  380   2HD1  LEU  47          3HD1      LEU  47 -19.653  -7.028  25.194
  381   3HD1  LEU  47          2HD1      LEU  47 -20.074  -5.342  25.496
  382   1HD2  LEU  47          2HD2      LEU  47 -16.601  -7.335  25.694
  383   2HD2  LEU  47          1HD2      LEU  47 -17.098  -6.487  27.159
  384   3HD2  LEU  47          3HD2      LEU  47 -18.214  -7.593  26.358
  385    H    CYS  48           HN       CYS  48 -16.306  -4.308  22.246
  386    HA   CYS  48           HA       CYS  48 -13.495  -4.339  21.213
  387   1HB   CYS  48          2HB       CYS  48 -16.128  -4.948  19.822
  388   2HB   CYS  48          1HB       CYS  48 -14.572  -4.837  19.000
  389    H    SER  49           HN       SER  49 -12.876  -2.382  20.247
  390    HA   SER  49           HA       SER  49 -14.334   0.002  20.811
  391   1HB   SER  49          2HB       SER  49 -11.838  -0.426  20.323
  392   2HB   SER  49          1HB       SER  49 -12.285  -0.332  18.621
  393    HG   SER  49           HG       SER  49 -11.746   1.660  20.173
  394    H    ASN  50           HN       ASN  50 -13.504  -0.989  17.500
  395    HA   ASN  50           HA       ASN  50 -15.822   0.421  16.420
  396   1HB   ASN  50          2HB       ASN  50 -13.427  -1.066  15.452
  397   2HB   ASN  50          1HB       ASN  50 -14.772  -0.888  14.325
  398   1HD2  ASN  50          1HD2      ASN  50 -12.022   0.484  14.425
  399   2HD2  ASN  50          2HD2      ASN  50 -12.383   2.140  14.365
  400    HA   PRO  51           HA       PRO  51 -18.414  -3.235  16.972
  401   1HB   PRO  51          2HB       PRO  51 -20.515  -1.736  15.702
  402   2HB   PRO  51          1HB       PRO  51 -20.334  -2.114  17.418
  403   1HG   PRO  51          2HG       PRO  51 -20.019   0.430  16.146
  404   2HG   PRO  51          1HG       PRO  51 -19.778   0.041  17.850
  405   1HD   PRO  51          2HD       PRO  51 -17.767   0.636  15.841
  406   2HD   PRO  51          1HD       PRO  51 -17.536   0.341  17.579
  407    H    ASN  52           HN       ASN  52 -17.290  -1.647  14.192
  408    HA   ASN  52           HA       ASN  52 -18.361  -3.833  12.442
  409   1HB   ASN  52          2HB       ASN  52 -17.986  -0.877  11.871
  410   2HB   ASN  52          1HB       ASN  52 -18.442  -2.069  10.656
  411   1HD2  ASN  52          1HD2      ASN  52 -20.146  -3.614  12.542
  412   2HD2  ASN  52          2HD2      ASN  52 -21.537  -2.678  12.799
  413    H    PHE  53           HN       PHE  53 -15.798  -3.616  13.906
  414    HA   PHE  53           HA       PHE  53 -13.730  -2.935  11.938
  415   1HB   PHE  53          2HB       PHE  53 -12.288  -3.298  13.745
  416   2HB   PHE  53          1HB       PHE  53 -13.787  -2.924  14.596
  417    HD1  PHE  53           HD1      PHE  53 -15.409  -5.212  14.621
  418    HD2  PHE  53           HD2      PHE  53 -11.116  -5.063  14.723
  419    HE1  PHE  53           HE1      PHE  53 -15.357  -7.438  15.708
  420    HE2  PHE  53           HE2      PHE  53 -11.065  -7.298  15.814
  421    HZ   PHE  53           HZ       PHE  53 -13.188  -8.480  16.303
  422    HA   PRO  54           HA       PRO  54 -12.983  -6.859  10.083
  423   1HB   PRO  54          2HB       PRO  54 -10.568  -7.640  11.451
  424   2HB   PRO  54          1HB       PRO  54 -10.726  -6.948   9.836
  425   1HG   PRO  54          2HG       PRO  54  -9.714  -5.679  12.208
  426   2HG   PRO  54          1HG       PRO  54  -9.870  -4.988  10.593
  427   1HD   PRO  54          2HD       PRO  54 -11.430  -4.386  12.934
  428   2HD   PRO  54          1HD       PRO  54 -11.609  -3.695  11.305
  429    H    GLU  55           HN       GLU  55 -14.881  -7.453  11.542
  430    HA   GLU  55           HA       GLU  55 -14.946  -8.628  14.002
  431   1HB   GLU  55          2HB       GLU  55 -16.821  -8.365  12.402
  432   2HB   GLU  55          1HB       GLU  55 -16.205  -9.738  11.477
  433   1HG   GLU  55          2HG       GLU  55 -16.442 -11.171  13.501
  434   2HG   GLU  55          1HG       GLU  55 -17.136  -9.799  14.365
  435    H    GLU  56           HN       GLU  56 -13.515 -10.099  11.103
  436    HA   GLU  56           HA       GLU  56 -13.191 -12.762  11.981
  437   1HB   GLU  56          2HB       GLU  56 -12.564 -11.668   9.760
  438   2HB   GLU  56          1HB       GLU  56 -11.106 -11.076  10.558
  439   1HG   GLU  56          2HG       GLU  56 -10.472 -13.401  11.116
  440   2HG   GLU  56          1HG       GLU  56 -11.924 -13.987  10.306
  441    H    LEU  57           HN       LEU  57 -11.696  -9.815  13.057
  442    HA   LEU  57           HA       LEU  57  -9.540 -11.134  14.576
  443   1HB   LEU  57          2HB       LEU  57 -10.586  -8.293  14.349
  444   2HB   LEU  57          1HB       LEU  57  -9.169  -8.739  15.299
  445    HG   LEU  57           HG       LEU  57  -9.457  -9.364  12.348
  446   1HD1  LEU  57          2HD1      LEU  57  -9.112  -6.834  13.518
  447   2HD1  LEU  57          1HD1      LEU  57  -7.494  -7.337  13.026
  448   3HD1  LEU  57          3HD1      LEU  57  -8.795  -7.270  11.838
  449   1HD2  LEU  57          1HD2      LEU  57  -7.869 -10.711  13.797
  450   2HD2  LEU  57          3HD2      LEU  57  -7.106  -9.852  12.458
  451   3HD2  LEU  57          2HD2      LEU  57  -6.992  -9.209  14.096
  452    H    LYS  58           HN       LYS  58 -12.808 -10.873  15.002
  453    HA   LYS  58           HA       LYS  58 -13.451  -9.904  17.487
  454   1HB   LYS  58          2HB       LYS  58 -15.122 -10.958  16.193
  455   2HB   LYS  58          1HB       LYS  58 -14.188 -12.444  16.037
  456   1HG   LYS  58          2HG       LYS  58 -14.597 -11.918  18.827
  457   2HG   LYS  58          1HG       LYS  58 -16.152 -11.805  18.004
  458   1HD   LYS  58          2HD       LYS  58 -14.229 -14.111  17.603
  459   2HD   LYS  58          1HD       LYS  58 -15.531 -14.135  18.794
  460   1HE   LYS  58          2HE       LYS  58 -17.124 -13.578  16.863
  461   2HE   LYS  58          1HE       LYS  58 -15.774 -13.958  15.777
  462   1HZ   LYS  58          1HZ       LYS  58 -15.554 -16.041  17.267
  463   2HZ   LYS  58          3HZ       LYS  58 -17.160 -15.714  17.706
  464   3HZ   LYS  58          2HZ       LYS  58 -16.769 -16.016  16.080
  465    HA   PRO  59           HA       PRO  59 -11.766 -14.034  19.533
  466   1HB   PRO  59          2HB       PRO  59  -9.474 -14.715  17.928
  467   2HB   PRO  59          1HB       PRO  59 -10.906 -15.694  18.256
  468   1HG   PRO  59          2HG       PRO  59 -10.193 -14.294  15.817
  469   2HG   PRO  59          1HG       PRO  59 -11.539 -15.402  16.096
  470   1HD   PRO  59          2HD       PRO  59 -11.712 -12.601  15.709
  471   2HD   PRO  59          1HD       PRO  59 -13.021 -13.672  16.252
  472    H    LEU  60           HN       LEU  60  -9.556 -11.866  17.707
  473    HA   LEU  60           HA       LEU  60  -7.531 -11.755  19.748
  474   1HB   LEU  60          2HB       LEU  60  -8.348  -9.834  17.543
  475   2HB   LEU  60          1HB       LEU  60  -6.824  -9.755  18.427
  476    HG   LEU  60           HG       LEU  60  -7.769 -11.841  16.470
  477   1HD1  LEU  60          3HD1      LEU  60  -6.087  -9.709  16.232
  478   2HD1  LEU  60          2HD1      LEU  60  -4.946 -10.977  16.680
  479   3HD1  LEU  60          1HD1      LEU  60  -5.959 -11.169  15.251
  480   1HD2  LEU  60          2HD2      LEU  60  -5.957 -12.199  18.833
  481   2HD2  LEU  60          1HD2      LEU  60  -7.114 -13.330  18.133
  482   3HD2  LEU  60          3HD2      LEU  60  -5.571 -13.038  17.332
  483    H    CYS  61           HN       CYS  61 -10.541  -9.983  19.219
  484    HA   CYS  61           HA       CYS  61 -10.018  -7.833  21.070
  485   1HB   CYS  61          2HB       CYS  61 -11.714  -7.837  19.253
  486   2HB   CYS  61          1HB       CYS  61 -12.613  -9.087  20.113
  487    H    LYS  62           HN       LYS  62 -11.133 -11.144  21.428
  488    HA   LYS  62           HA       LYS  62 -11.944 -10.670  24.255
  489   1HB   LYS  62          2HB       LYS  62 -12.015 -13.100  22.427
  490   2HB   LYS  62          1HB       LYS  62 -12.714 -13.033  24.044
  491   1HG   LYS  62          2HG       LYS  62 -14.170 -11.153  23.303
  492   2HG   LYS  62          1HG       LYS  62 -13.511 -11.313  21.676
  493   1HD   LYS  62          2HD       LYS  62 -14.307 -13.676  21.625
  494   2HD   LYS  62          1HD       LYS  62 -15.040 -13.437  23.211
  495   1HE   LYS  62          2HE       LYS  62 -15.784 -11.352  21.270
  496   2HE   LYS  62          1HE       LYS  62 -16.330 -12.978  20.813
  497   1HZ   LYS  62          1HZ       LYS  62 -17.061 -13.232  23.183
  498   2HZ   LYS  62          3HZ       LYS  62 -16.770 -11.574  23.396
  499   3HZ   LYS  62          2HZ       LYS  62 -17.951 -12.092  22.291
  500    H    GLU  63           HN       GLU  63  -9.109 -10.682  23.018
  501    HA   GLU  63           HA       GLU  63  -7.914 -12.834  24.723
  502   1HB   GLU  63          2HB       GLU  63  -7.532 -11.810  22.020
  503   2HB   GLU  63          1HB       GLU  63  -6.022 -11.813  22.926
  504   1HG   GLU  63          2HG       GLU  63  -6.900 -13.966  21.594
  505   2HG   GLU  63          1HG       GLU  63  -5.955 -14.096  23.081
  506    HA   PRO  64           HA       PRO  64  -6.233  -9.631  27.273
  507   1HB   PRO  64          2HB       PRO  64  -3.956 -11.279  27.897
  508   2HB   PRO  64          1HB       PRO  64  -5.387 -10.985  28.889
  509   1HG   PRO  64          2HG       PRO  64  -4.670 -13.396  27.515
  510   2HG   PRO  64          1HG       PRO  64  -6.118 -13.091  28.477
  511   1HD   PRO  64          2HD       PRO  64  -5.906 -13.343  25.598
  512   2HD   PRO  64          1HD       PRO  64  -7.373 -13.090  26.573
  513    H    ASN  65           HN       ASN  65  -4.420 -11.324  24.777
  514    HA   ASN  65           HA       ASN  65  -2.235  -9.345  24.736
  515   1HB   ASN  65          2HB       ASN  65  -2.985 -11.640  22.895
  516   2HB   ASN  65          1HB       ASN  65  -1.439 -10.791  22.899
  517   1HD2  ASN  65          1HD2      ASN  65  -1.656 -13.626  23.438
  518   2HD2  ASN  65          2HD2      ASN  65  -1.195 -13.885  25.052
  519    H    ALA  66           HN       ALA  66  -5.399  -9.407  23.541
  520    HA   ALA  66           HA       ALA  66  -5.372  -8.499  20.922
  521   1HB   ALA  66          2HB       ALA  66  -7.232  -8.768  22.777
  522   2HB   ALA  66          3HB       ALA  66  -7.492  -7.654  21.435
  523   3HB   ALA  66          1HB       ALA  66  -6.973  -7.039  23.005
  524    H    GLN  67           HN       GLN  67  -4.543  -6.637  23.839
  525    HA   GLN  67           HA       GLN  67  -4.315  -4.060  22.662
  526   1HB   GLN  67          2HB       GLN  67  -2.824  -5.419  24.929
  527   2HB   GLN  67          1HB       GLN  67  -2.797  -3.681  24.631
  528   1HG   GLN  67          2HG       GLN  67  -5.249  -3.594  24.887
  529   2HG   GLN  67          1HG       GLN  67  -5.285  -5.336  25.169
  530   1HE2  GLN  67          1HE2      GLN  67  -6.256  -3.588  27.173
  531   2HE2  GLN  67          2HE2      GLN  67  -5.191  -3.610  28.495
  532    H    GLU  68           HN       GLU  68  -1.918  -6.701  22.934
  533    HA   GLU  68           HA       GLU  68   0.180  -5.140  21.617
  534   1HB   GLU  68          2HB       GLU  68  -0.132  -8.072  22.338
  535   2HB   GLU  68          1HB       GLU  68   1.368  -7.334  21.778
  536   1HG   GLU  68          2HG       GLU  68   1.314  -5.780  23.704
  537   2HG   GLU  68          1HG       GLU  68  -0.174  -6.540  24.267
  538    H    ILE  69           HN       ILE  69  -2.071  -7.747  20.707
  539    HA   ILE  69           HA       ILE  69  -1.045  -8.245  18.083
  540    HB   ILE  69           HB       ILE  69  -3.848  -8.444  19.235
  541   1HG1  ILE  69          2HG1      ILE  69  -1.663 -10.534  18.987
  542   2HG1  ILE  69          1HG1      ILE  69  -2.067  -9.685  20.479
  543   1HG2  ILE  69          1HG2      ILE  69  -2.884  -8.845  16.580
  544   2HG2  ILE  69          3HG2      ILE  69  -3.243 -10.431  17.265
  545   3HG2  ILE  69          2HG2      ILE  69  -4.494  -9.188  17.215
  546   1HD1  ILE  69          2HD1      ILE  69  -4.442 -10.792  19.210
  547   2HD1  ILE  69          1HD1      ILE  69  -3.246 -12.046  19.541
  548   3HD1  ILE  69          3HD1      ILE  69  -3.843 -11.028  20.852
  549    H    LEU  70           HN       LEU  70  -3.695  -6.106  19.185
  550    HA   LEU  70           HA       LEU  70  -4.523  -5.074  16.707
  551   1HB   LEU  70          2HB       LEU  70  -5.689  -4.611  18.765
  552   2HB   LEU  70          1HB       LEU  70  -4.265  -3.844  19.464
  553    HG   LEU  70           HG       LEU  70  -6.134  -2.310  18.511
  554   1HD1  LEU  70          1HD1      LEU  70  -3.498  -1.932  18.961
  555   2HD1  LEU  70          3HD1      LEU  70  -3.546  -1.608  17.228
  556   3HD1  LEU  70          2HD1      LEU  70  -4.548  -0.664  18.330
  557   1HD2  LEU  70          3HD2      LEU  70  -4.748  -3.214  15.967
  558   2HD2  LEU  70          2HD2      LEU  70  -6.438  -3.492  16.385
  559   3HD2  LEU  70          1HD2      LEU  70  -5.864  -1.853  16.080
  560    H    GLN  71           HN       GLN  71  -2.031  -3.671  18.887
  561    HA   GLN  71           HA       GLN  71  -1.190  -1.507  17.344
  562   1HB   GLN  71          2HB       GLN  71   0.404  -3.505  18.978
  563   2HB   GLN  71          1HB       GLN  71   1.015  -1.929  18.474
  564   1HG   GLN  71          2HG       GLN  71  -0.846  -0.832  19.681
  565   2HG   GLN  71          1HG       GLN  71  -1.435  -2.412  20.199
  566   1HE2  GLN  71          1HE2      GLN  71   0.813   0.119  20.927
  567   2HE2  GLN  71          2HE2      GLN  71   1.624  -0.671  22.192
  568    H    ARG  72           HN       ARG  72   0.216  -4.803  17.202
  569    HA   ARG  72           HA       ARG  72   2.011  -4.451  15.087
  570   1HB   ARG  72          2HB       ARG  72   0.200  -6.788  15.775
  571   2HB   ARG  72          1HB       ARG  72   1.612  -6.902  14.726
  572   1HG   ARG  72          2HG       ARG  72   3.018  -6.034  16.605
  573   2HG   ARG  72          1HG       ARG  72   1.594  -6.077  17.644
  574   1HD   ARG  72          2HD       ARG  72   1.380  -8.539  17.140
  575   2HD   ARG  72          1HD       ARG  72   2.927  -8.442  16.280
  576    HE   ARG  72           HE       ARG  72   3.476  -7.237  18.705
  577   1HH1  ARG  72          1HH1      ARG  72   1.148  -9.190  19.461
  578   2HH1  ARG  72          2HH1      ARG  72   2.070 -10.509  20.100
  579   1HH2  ARG  72          1HH2      ARG  72   5.080  -9.384  18.794
  580   2HH2  ARG  72          2HH2      ARG  72   4.297 -10.619  19.723
  581    H    LEU  73           HN       LEU  73  -1.413  -5.489  14.797
  582    HA   LEU  73           HA       LEU  73  -1.596  -5.631  11.994
  583   1HB   LEU  73          2HB       LEU  73  -3.618  -4.616  14.018
  584   2HB   LEU  73          1HB       LEU  73  -4.003  -5.233  12.412
  585    HG   LEU  73           HG       LEU  73  -2.726  -6.778  14.689
  586   1HD1  LEU  73          2HD1      LEU  73  -5.437  -6.725  13.385
  587   2HD1  LEU  73          1HD1      LEU  73  -4.850  -8.206  14.143
  588   3HD1  LEU  73          3HD1      LEU  73  -5.033  -6.737  15.102
  589   1HD2  LEU  73          1HD2      LEU  73  -3.190  -7.456  11.781
  590   2HD2  LEU  73          3HD2      LEU  73  -1.694  -7.589  12.704
  591   3HD2  LEU  73          2HD2      LEU  73  -3.024  -8.706  13.014
  592    H    GLU  74           HN       GLU  74  -2.217  -2.788  14.084
  593    HA   GLU  74           HA       GLU  74  -2.875  -0.910  12.091
  594   1HB   GLU  74          2HB       GLU  74  -1.284  -0.557  14.652
  595   2HB   GLU  74          1HB       GLU  74  -2.133   0.727  13.792
  596   1HG   GLU  74          2HG       GLU  74  -4.248  -0.683  14.055
  597   2HG   GLU  74          1HG       GLU  74  -3.328  -1.678  15.182
  598    H    GLU  75           HN       GLU  75   0.382  -1.804  13.320
  599    HA   GLU  75           HA       GLU  75   1.860   0.104  11.806
  600   1HB   GLU  75          2HB       GLU  75   2.604  -1.289  13.758
  601   2HB   GLU  75          1HB       GLU  75   2.644  -2.690  12.688
  602   1HG   GLU  75          2HG       GLU  75   4.267  -1.489  11.228
  603   2HG   GLU  75          1HG       GLU  75   4.270  -0.148  12.373
  604    H    ILE  76           HN       ILE  76   1.343  -3.384  11.100
  605    HA   ILE  76           HA       ILE  76   2.547  -3.334   8.508
  606    HB   ILE  76           HB       ILE  76   0.342  -5.081   9.653
  607   1HG1  ILE  76          2HG1      ILE  76   3.348  -5.479   9.657
  608   2HG1  ILE  76          1HG1      ILE  76   2.421  -4.911  11.045
  609   1HG2  ILE  76          2HG2      ILE  76   1.842  -5.092   7.128
  610   2HG2  ILE  76          1HG2      ILE  76   1.931  -6.623   7.999
  611   3HG2  ILE  76          3HG2      ILE  76   0.362  -5.948   7.557
  612   1HD1  ILE  76          2HD1      ILE  76   1.363  -7.360   9.779
  613   2HD1  ILE  76          1HD1      ILE  76   2.950  -7.546  10.527
  614   3HD1  ILE  76          3HD1      ILE  76   1.583  -6.980  11.487
  615    H    ALA  77           HN       ALA  77  -0.786  -2.782   9.586
  616    HA   ALA  77           HA       ALA  77  -2.062  -2.677   7.038
  617   1HB   ALA  77          3HB       ALA  77  -3.431  -2.752   8.954
  618   2HB   ALA  77          2HB       ALA  77  -2.525  -1.472   9.761
  619   3HB   ALA  77          1HB       ALA  77  -3.606  -1.079   8.424
  620    H    GLU  78           HN       GLU  78  -0.174  -0.290   8.828
  621    HA   GLU  78           HA       GLU  78  -0.843   2.042   7.327
  622   1HB   GLU  78          2HB       GLU  78   0.384   1.894   9.506
  623   2HB   GLU  78          1HB       GLU  78   1.785   1.272   8.634
  624   1HG   GLU  78          2HG       GLU  78   1.797   3.348   7.250
  625   2HG   GLU  78          1HG       GLU  78   0.467   3.974   8.223
  626    H    ASP  79           HN       ASP  79   1.590  -0.506   6.743
  627    HA   ASP  79           HA       ASP  79   1.686   0.197   3.902
  628   1HB   ASP  79          2HB       ASP  79   3.751   1.056   5.889
  629   2HB   ASP  79          1HB       ASP  79   4.302   0.559   4.290
  630    HA   PRO  80           HA       PRO  80   2.804  -4.048   3.601
  631   1HB   PRO  80          2HB       PRO  80   4.461  -3.583   1.297
  632   2HB   PRO  80          1HB       PRO  80   2.801  -4.183   1.339
  633   1HG   PRO  80          2HG       PRO  80   3.718  -1.611   0.459
  634   2HG   PRO  80          1HG       PRO  80   2.059  -2.209   0.517
  635   1HD   PRO  80          2HD       PRO  80   3.297  -0.231   2.225
  636   2HD   PRO  80          1HD       PRO  80   1.618  -0.814   2.265
  637    H    GLY  81           HN       GLY  81   4.204  -3.576   5.591
  638   1HA   GLY  81          1HA       GLY  81   6.264  -3.850   6.709
  639   2HA   GLY  81          2HA       GLY  81   6.991  -2.959   5.370
  640    H    THR  82           HN       THR  82   7.561  -5.663   6.896
  641    HA   THR  82           HA       THR  82   8.698  -7.025   4.580
  642    HB   THR  82           HB       THR  82   9.480  -8.589   6.323
  643    HG1  THR  82          1HG       THR  82   7.413  -7.337   7.711
  644   1HG2  THR  82          3HG2      THR  82  10.084  -5.896   6.144
  645   2HG2  THR  82          2HG2      THR  82   9.761  -6.114   7.863
  646   3HG2  THR  82          1HG2      THR  82  10.997  -7.089   7.067
  647    H    CYS  83           HN       CYS  83   5.741  -7.157   6.351
  648    HA   CYS  83           HA       CYS  83   4.916  -9.855   5.892
  649   1HB   CYS  83          2HB       CYS  83   3.888  -7.979   7.335
  650   2HB   CYS  83          1HB       CYS  83   3.119  -7.421   5.850
  651    H    GLU  84           HN       GLU  84   4.417  -6.906   3.936
  652    HA   GLU  84           HA       GLU  84   2.925  -8.065   1.824
  653   1HB   GLU  84          2HB       GLU  84   3.335  -5.646   2.276
  654   2HB   GLU  84          1HB       GLU  84   4.998  -5.852   1.728
  655   1HG   GLU  84          2HG       GLU  84   3.694  -5.006  -0.133
  656   2HG   GLU  84          1HG       GLU  84   4.091  -6.692  -0.467
  657    H    ILE  85           HN       ILE  85   6.421  -8.119   2.451
  658    HA   ILE  85           HA       ILE  85   6.858  -9.445  -0.188
  659    HB   ILE  85           HB       ILE  85   9.187  -8.862   0.206
  660   1HG1  ILE  85          2HG1      ILE  85   8.198  -8.184   2.985
  661   2HG1  ILE  85          1HG1      ILE  85   9.421  -9.374   2.543
  662   1HG2  ILE  85          2HG2      ILE  85   7.071  -7.000   0.078
  663   2HG2  ILE  85          1HG2      ILE  85   8.210  -6.351   1.258
  664   3HG2  ILE  85          3HG2      ILE  85   8.754  -6.730  -0.377
  665   1HD1  ILE  85          3HD1      ILE  85  10.483  -7.139   1.414
  666   2HD1  ILE  85          2HD1      ILE  85   9.648  -6.429   2.795
  667   3HD1  ILE  85          1HD1      ILE  85  10.868  -7.676   3.050
  668    H    CYS  86           HN       CYS  86   5.857 -10.518   2.655
  669    HA   CYS  86           HA       CYS  86   6.018 -12.603   3.758
  670   1HB   CYS  86          2HB       CYS  86   6.073 -13.122   1.186
  671   2HB   CYS  86          1HB       CYS  86   7.775 -13.485   1.477
  672    H    ALA  87           HN       ALA  87   8.375 -10.460   3.646
  673    HA   ALA  87           HA       ALA  87  10.816 -11.879   4.146
  674   1HB   ALA  87          3HB       ALA  87  11.085  -9.550   5.506
  675   2HB   ALA  87          1HB       ALA  87   9.671  -9.162   4.527
  676   3HB   ALA  87          2HB       ALA  87  11.178  -9.645   3.748
  677    H    TYR  88           HN       TYR  88   8.001 -11.295   6.108
  678    HA   TYR  88           HA       TYR  88   9.406 -12.561   8.437
  679   1HB   TYR  88          2HB       TYR  88   8.026  -9.984   8.125
  680   2HB   TYR  88          1HB       TYR  88   7.452 -10.919   9.506
  681    HD1  TYR  88           HD1      TYR  88  10.546  -9.621   7.867
  682    HD2  TYR  88           HD2      TYR  88   8.742 -11.082  11.482
  683    HE1  TYR  88           HE1      TYR  88  12.582  -8.993   9.136
  684    HE2  TYR  88           HE2      TYR  88  10.778 -10.453  12.750
  685    HH   TYR  88           HH       TYR  88  13.399 -10.140  11.980
  686    H    ALA  89           HN       ALA  89   7.791 -13.564   9.974
  687    HA   ALA  89           HA       ALA  89   5.924 -15.261   8.563
  688   1HB   ALA  89          2HB       ALA  89   6.913 -16.182  10.474
  689   2HB   ALA  89          3HB       ALA  89   5.322 -15.728  11.086
  690   3HB   ALA  89          1HB       ALA  89   6.718 -14.699  11.407
  691    H    ALA  90           HN       ALA  90   5.626 -12.049   9.265
  692    HA   ALA  90           HA       ALA  90   3.027 -11.828  10.458
  693   1HB   ALA  90          3HB       ALA  90   4.956 -10.154   8.928
  694   2HB   ALA  90          1HB       ALA  90   4.188  -9.840  10.484
  695   3HB   ALA  90          2HB       ALA  90   3.290  -9.577   8.990
  696    H    CYS  91           HN       CYS  91   4.103 -12.070   7.070
  697    HA   CYS  91           HA       CYS  91   1.235 -12.127   6.217
  698   1HB   CYS  91          2HB       CYS  91   3.771 -11.096   5.167
  699   2HB   CYS  91          1HB       CYS  91   2.824 -11.969   3.963
  700    H    THR  92           HN       THR  92   0.490 -14.210   5.993
  701    HA   THR  92           HA       THR  92   2.406 -16.365   5.230
  702    HB   THR  92           HB       THR  92   0.668 -17.828   6.107
  703    HG1  THR  92          1HG       THR  92  -0.843 -15.499   5.802
  704   1HG2  THR  92          3HG2      THR  92   2.102 -16.673   7.751
  705   2HG2  THR  92          2HG2      THR  92   0.947 -15.343   7.821
  706   3HG2  THR  92          1HG2      THR  92   0.483 -16.944   8.397
  707    H    GLY  93           HN       GLY  93   1.222 -18.112   3.779
  708   1HA   GLY  93          1HA       GLY  93  -0.646 -16.989   1.811
  709   2HA   GLY  93          2HA       GLY  93  -0.022 -18.638   1.824
  710    H    CYS  94           HN       CYS  94   2.728 -17.099   2.215
  711    HA   CYS  94           HA       CYS  94   3.465 -15.595   0.012
  712   1HB   CYS  94          2HB       CYS  94   4.707 -16.896   2.066
  713   2HB   CYS  94          1HB       CYS  94   5.283 -17.835   0.688

  No H/Q in entry =         713
  Start of MODEL   29
    1    H1   VAL   1          1H        VAL   1  -2.763 -11.717  -0.574
    2    H2   VAL   1          3H        VAL   1  -2.400 -10.097  -0.915
    3    H3   VAL   1          2H        VAL   1  -1.395 -11.334  -1.505
    4    HA   VAL   1           HA       VAL   1  -0.650 -11.887   0.692
    5    HB   VAL   1           HB       VAL   1  -0.089  -9.661  -0.797
    6   1HG1  VAL   1          2HG1      VAL   1  -1.594  -8.267   0.601
    7   2HG1  VAL   1          1HG1      VAL   1  -0.653  -8.705   2.028
    8   3HG1  VAL   1          3HG1      VAL   1   0.086  -7.752   0.740
    9   1HG2  VAL   1          2HG2      VAL   1   1.198 -11.298   1.049
   10   2HG2  VAL   1          1HG2      VAL   1   1.962 -10.056   0.056
   11   3HG2  VAL   1          3HG2      VAL   1   1.432  -9.673   1.695
   12    H    THR   2           HN       THR   2  -1.418 -12.215   2.742
   13    HA   THR   2           HA       THR   2  -3.337 -10.203   3.869
   14    HB   THR   2           HB       THR   2  -3.431 -13.228   4.080
   15    HG1  THR   2          1HG       THR   2  -4.115 -12.791   2.088
   16   1HG2  THR   2          3HG2      THR   2  -5.197 -11.008   5.118
   17   2HG2  THR   2          2HG2      THR   2  -5.772 -12.667   4.949
   18   3HG2  THR   2          1HG2      THR   2  -4.430 -12.304   6.034
   19    H    VAL   3           HN       VAL   3  -3.186  -9.891   6.119
   20    HA   VAL   3           HA       VAL   3  -0.605 -10.709   7.337
   21    HB   VAL   3           HB       VAL   3  -2.197  -8.405   7.296
   22   1HG1  VAL   3          3HG1      VAL   3  -2.246  -9.680  10.049
   23   2HG1  VAL   3          2HG1      VAL   3  -2.689  -8.009   9.700
   24   3HG1  VAL   3          1HG1      VAL   3  -3.650  -9.332   9.041
   25   1HG2  VAL   3          1HG2      VAL   3   0.377  -9.091   7.897
   26   2HG2  VAL   3          3HG2      VAL   3  -0.293  -7.476   8.127
   27   3HG2  VAL   3          2HG2      VAL   3  -0.220  -8.602   9.482
   28    H    GLN   4           HN       GLN   4  -0.579 -12.530   8.587
   29    HA   GLN   4           HA       GLN   4  -3.139 -13.400   9.880
   30   1HB   GLN   4          2HB       GLN   4  -2.170 -14.895   8.185
   31   2HB   GLN   4          1HB       GLN   4  -0.636 -14.907   9.055
   32   1HG   GLN   4          2HG       GLN   4  -1.830 -15.868  11.035
   33   2HG   GLN   4          1HG       GLN   4  -3.294 -15.970  10.058
   34   1HE2  GLN   4          1HE2      GLN   4  -3.566 -18.041   9.227
   35   2HE2  GLN   4          2HE2      GLN   4  -2.311 -19.076   8.741
   36    H    ASP   5           HN       ASP   5  -3.195 -13.092  12.060
   37    HA   ASP   5           HA       ASP   5  -0.649 -12.753  13.566
   38   1HB   ASP   5          2HB       ASP   5  -3.580 -12.252  14.166
   39   2HB   ASP   5          1HB       ASP   5  -2.287 -11.966  15.331
   40    H    GLY   6           HN       GLY   6  -2.364 -15.321  12.638
   41   1HA   GLY   6          1HA       GLY   6  -3.093 -16.729  14.995
   42   2HA   GLY   6          2HA       GLY   6  -1.400 -17.086  14.650
   43    H    ASN   7           HN       ASN   7  -4.081 -18.639  14.375
   44    HA   ASN   7           HA       ASN   7  -3.320 -20.034  11.910
   45   1HB   ASN   7          2HB       ASN   7  -5.537 -20.371  13.953
   46   2HB   ASN   7          1HB       ASN   7  -5.202 -21.517  12.657
   47   1HD2  ASN   7          1HD2      ASN   7  -4.978 -22.318  15.384
   48   2HD2  ASN   7          2HD2      ASN   7  -3.342 -22.600  15.738
   49    H    PHE   8           HN       PHE   8  -4.992 -17.244  12.377
   50    HA   PHE   8           HA       PHE   8  -6.905 -17.822  10.137
   51   1HB   PHE   8          2HB       PHE   8  -7.113 -15.865  12.448
   52   2HB   PHE   8          1HB       PHE   8  -8.349 -16.140  11.221
   53    HD1  PHE   8           HD1      PHE   8  -6.619 -17.557  14.152
   54    HD2  PHE   8           HD2      PHE   8  -9.675 -18.189  11.199
   55    HE1  PHE   8           HE1      PHE   8  -7.507 -19.456  15.477
   56    HE2  PHE   8           HE2      PHE   8 -10.562 -20.088  12.524
   57    HZ   PHE   8           HZ       PHE   8  -9.479 -20.721  14.664
   58    H    SER   9           HN       SER   9  -6.643 -16.543   8.337
   59    HA   SER   9           HA       SER   9  -4.474 -14.572   8.262
   60   1HB   SER   9          2HB       SER   9  -4.863 -14.659   5.918
   61   2HB   SER   9          1HB       SER   9  -5.246 -16.285   6.482
   62    HG   SER   9           HG       SER   9  -7.017 -14.180   5.839
   63    H    PHE  10           HN       PHE  10  -4.752 -12.404   8.629
   64    HA   PHE  10           HA       PHE  10  -7.550 -11.323   8.605
   65   1HB   PHE  10          2HB       PHE  10  -5.063 -10.469  10.123
   66   2HB   PHE  10          1HB       PHE  10  -6.654  -9.725  10.277
   67    HD1  PHE  10           HD1      PHE  10  -8.066 -12.552   9.863
   68    HD2  PHE  10           HD2      PHE  10  -5.052 -11.051  12.532
   69    HE1  PHE  10           HE1      PHE  10  -8.705 -14.258  11.546
   70    HE2  PHE  10           HE2      PHE  10  -5.691 -12.758  14.212
   71    HZ   PHE  10           HZ       PHE  10  -7.516 -14.360  13.721
   72    H    SER  11           HN       SER  11  -7.956  -9.816   7.034
   73    HA   SER  11           HA       SER  11  -5.900  -8.904   5.211
   74   1HB   SER  11          2HB       SER  11  -8.758  -8.004   5.717
   75   2HB   SER  11          1HB       SER  11  -7.809  -7.607   4.283
   76    HG   SER  11           HG       SER  11  -8.996  -9.389   3.776
   77    H    LEU  12           HN       LEU  12  -5.530  -6.498   4.819
   78    HA   LEU  12           HA       LEU  12  -5.054  -5.144   7.424
   79   1HB   LEU  12          2HB       LEU  12  -4.133  -4.529   4.596
   80   2HB   LEU  12          1HB       LEU  12  -3.523  -3.773   6.067
   81    HG   LEU  12           HG       LEU  12  -3.303  -6.701   5.312
   82   1HD1  LEU  12          2HD1      LEU  12  -1.695  -4.505   4.672
   83   2HD1  LEU  12          1HD1      LEU  12  -0.877  -5.261   6.039
   84   3HD1  LEU  12          3HD1      LEU  12  -1.223  -6.201   4.589
   85   1HD2  LEU  12          1HD2      LEU  12  -3.100  -5.283   7.894
   86   2HD2  LEU  12          3HD2      LEU  12  -3.374  -6.994   7.570
   87   3HD2  LEU  12          2HD2      LEU  12  -1.737  -6.339   7.527
   88    H    GLU  13           HN       GLU  13  -7.335  -5.100   4.909
   89    HA   GLU  13           HA       GLU  13  -7.904  -2.305   4.649
   90   1HB   GLU  13          2HB       GLU  13  -9.709  -4.740   4.478
   91   2HB   GLU  13          1HB       GLU  13 -10.071  -3.152   3.803
   92   1HG   GLU  13          2HG       GLU  13  -8.050  -3.312   2.378
   93   2HG   GLU  13          1HG       GLU  13  -7.728  -4.918   3.031
   94    H    SER  14           HN       SER  14  -9.920  -4.672   6.421
   95    HA   SER  14           HA       SER  14 -11.510  -2.956   7.893
   96   1HB   SER  14          2HB       SER  14 -10.207  -5.413   9.070
   97   2HB   SER  14          1HB       SER  14 -11.845  -4.818   9.340
   98    HG   SER  14           HG       SER  14 -12.371  -6.073   7.757
   99    H    VAL  15           HN       VAL  15  -8.303  -4.172   8.993
  100    HA   VAL  15           HA       VAL  15  -8.231  -2.756  11.444
  101    HB   VAL  15           HB       VAL  15  -5.748  -3.065  11.168
  102   1HG1  VAL  15          1HG1      VAL  15  -7.730  -4.907  11.582
  103   2HG1  VAL  15          3HG1      VAL  15  -6.871  -5.628  10.219
  104   3HG1  VAL  15          2HG1      VAL  15  -6.005  -5.262  11.712
  105   1HG2  VAL  15          2HG2      VAL  15  -6.653  -3.915   8.409
  106   2HG2  VAL  15          1HG2      VAL  15  -5.443  -2.701   8.823
  107   3HG2  VAL  15          3HG2      VAL  15  -5.107  -4.410   9.097
  108    H    LYS  16           HN       LYS  16  -6.955  -1.740   8.236
  109    HA   LYS  16           HA       LYS  16  -5.911   0.770   8.957
  110   1HB   LYS  16          2HB       LYS  16  -5.808  -0.305   6.711
  111   2HB   LYS  16          1HB       LYS  16  -7.529   0.013   6.494
  112   1HG   LYS  16          2HG       LYS  16  -7.136   2.421   6.635
  113   2HG   LYS  16          1HG       LYS  16  -5.427   2.149   6.972
  114   1HD   LYS  16          2HD       LYS  16  -5.596   2.663   4.631
  115   2HD   LYS  16          1HD       LYS  16  -5.301   0.928   4.748
  116   1HE   LYS  16          2HE       LYS  16  -7.115   1.298   3.147
  117   2HE   LYS  16          1HE       LYS  16  -7.810   0.583   4.613
  118   1HZ   LYS  16          1HZ       LYS  16  -7.509   3.500   4.486
  119   2HZ   LYS  16          3HZ       LYS  16  -8.776   2.799   3.601
  120   3HZ   LYS  16          2HZ       LYS  16  -8.688   2.571   5.282
  121    H    LYS  17           HN       LYS  17  -9.260   0.004   7.960
  122    HA   LYS  17           HA       LYS  17 -10.308   2.635   8.572
  123   1HB   LYS  17          2HB       LYS  17 -11.577  -0.120   8.336
  124   2HB   LYS  17          1HB       LYS  17 -12.487   1.389   8.399
  125   1HG   LYS  17          2HG       LYS  17 -11.240   2.171   6.376
  126   2HG   LYS  17          1HG       LYS  17 -10.465   0.588   6.285
  127   1HD   LYS  17          2HD       LYS  17 -12.733  -0.460   6.141
  128   2HD   LYS  17          1HD       LYS  17 -13.439   1.155   6.096
  129   1HE   LYS  17          2HE       LYS  17 -13.217   0.393   3.800
  130   2HE   LYS  17          1HE       LYS  17 -11.962   1.617   4.065
  131   1HZ   LYS  17          1HZ       LYS  17 -11.333  -1.144   4.792
  132   2HZ   LYS  17          3HZ       LYS  17 -11.397  -0.789   3.134
  133   3HZ   LYS  17          2HZ       LYS  17 -10.325   0.060   4.142
  134    H    LEU  18           HN       LEU  18 -10.659  -0.510  10.225
  135    HA   LEU  18           HA       LEU  18 -11.753  -0.600  12.480
  136   1HB   LEU  18          2HB       LEU  18  -9.237  -1.316  11.828
  137   2HB   LEU  18          1HB       LEU  18  -8.878  -0.149  13.103
  138    HG   LEU  18           HG       LEU  18 -10.602  -2.631  13.302
  139   1HD1  LEU  18          1HD1      LEU  18  -7.864  -2.025  13.862
  140   2HD1  LEU  18          3HD1      LEU  18  -8.688  -2.299  15.397
  141   3HD1  LEU  18          2HD1      LEU  18  -8.723  -3.540  14.144
  142   1HD2  LEU  18          2HD2      LEU  18 -11.624  -0.642  14.462
  143   2HD2  LEU  18          1HD2      LEU  18 -11.171  -1.950  15.555
  144   3HD2  LEU  18          3HD2      LEU  18 -10.152  -0.516  15.425
  145    H    LYS  19           HN       LYS  19  -9.008   1.697  12.838
  146    HA   LYS  19           HA       LYS  19 -10.017   3.100  15.053
  147   1HB   LYS  19          2HB       LYS  19  -7.758   3.301  13.937
  148   2HB   LYS  19          1HB       LYS  19  -8.523   4.285  12.688
  149   1HG   LYS  19          2HG       LYS  19  -9.246   5.909  14.390
  150   2HG   LYS  19          1HG       LYS  19  -8.524   4.917  15.656
  151   1HD   LYS  19          2HD       LYS  19  -6.303   5.189  14.564
  152   2HD   LYS  19          1HD       LYS  19  -7.046   6.247  13.365
  153   1HE   LYS  19          2HE       LYS  19  -7.778   7.769  15.215
  154   2HE   LYS  19          1HE       LYS  19  -6.900   6.739  16.362
  155   1HZ   LYS  19          2HZ       LYS  19  -4.912   7.028  14.928
  156   2HZ   LYS  19          1HZ       LYS  19  -5.774   8.163  14.004
  157   3HZ   LYS  19          3HZ       LYS  19  -5.437   8.480  15.635
  158    H    ASP  20           HN       ASP  20 -10.317   4.160  11.642
  159    HA   ASP  20           HA       ASP  20 -12.781   5.684  12.406
  160   1HB   ASP  20          2HB       ASP  20 -10.825   6.927  11.481
  161   2HB   ASP  20          1HB       ASP  20 -10.907   5.934  10.026
  162    H    LEU  21           HN       LEU  21 -14.351   4.025  12.120
  163    HA   LEU  21           HA       LEU  21 -14.338   2.479   9.585
  164   1HB   LEU  21          2HB       LEU  21 -14.690   1.431  11.826
  165   2HB   LEU  21          1HB       LEU  21 -16.160   2.387  12.009
  166    HG   LEU  21           HG       LEU  21 -16.978   1.355   9.842
  167   1HD1  LEU  21          3HD1      LEU  21 -14.305   0.387   9.816
  168   2HD1  LEU  21          2HD1      LEU  21 -15.359  -1.014  10.011
  169   3HD1  LEU  21          1HD1      LEU  21 -15.577   0.070   8.637
  170   1HD2  LEU  21          2HD2      LEU  21 -16.930   0.321  12.479
  171   2HD2  LEU  21          1HD2      LEU  21 -18.103  -0.033  11.211
  172   3HD2  LEU  21          3HD2      LEU  21 -16.675  -1.051  11.402
  173    H    GLN  22           HN       GLN  22 -15.838   2.803   7.965
  174    HA   GLN  22           HA       GLN  22 -17.803   5.038   8.341
  175   1HB   GLN  22          2HB       GLN  22 -16.437   3.886   5.886
  176   2HB   GLN  22          1HB       GLN  22 -17.589   5.219   5.858
  177   1HG   GLN  22          2HG       GLN  22 -16.087   6.496   7.390
  178   2HG   GLN  22          1HG       GLN  22 -14.914   5.183   7.286
  179   1HE2  GLN  22          1HE2      GLN  22 -13.507   5.191   5.493
  180   2HE2  GLN  22          2HE2      GLN  22 -13.655   6.245   4.170
  181    H    GLU  23           HN       GLU  23 -19.538   4.567   6.302
  182    HA   GLU  23           HA       GLU  23 -21.370   2.670   7.184
  183   1HB   GLU  23          2HB       GLU  23 -22.313   2.853   4.941
  184   2HB   GLU  23          1HB       GLU  23 -21.638   4.419   5.389
  185   1HG   GLU  23          2HG       GLU  23 -19.509   3.727   4.198
  186   2HG   GLU  23          1HG       GLU  23 -20.395   2.330   3.585
  187    HA   PRO  24           HA       PRO  24 -19.807  -1.355   6.426
  188   1HB   PRO  24          2HB       PRO  24 -22.167  -2.290   5.070
  189   2HB   PRO  24          1HB       PRO  24 -21.701  -2.553   6.753
  190   1HG   PRO  24          2HG       PRO  24 -23.785  -0.848   5.737
  191   2HG   PRO  24          1HG       PRO  24 -23.338  -1.133   7.420
  192   1HD   PRO  24          2HD       PRO  24 -22.905   1.253   5.865
  193   2HD   PRO  24          1HD       PRO  24 -22.410   0.947   7.547
  194    H    GLN  25           HN       GLN  25 -19.159  -2.816   4.635
  195    HA   GLN  25           HA       GLN  25 -18.425  -3.244   2.426
  196   1HB   GLN  25          2HB       GLN  25 -20.954  -2.818   2.161
  197   2HB   GLN  25          1HB       GLN  25 -20.505  -1.201   1.621
  198   1HG   GLN  25          2HG       GLN  25 -19.027  -2.257  -0.112
  199   2HG   GLN  25          1HG       GLN  25 -19.654  -3.832   0.375
  200   1HE2  GLN  25          1HE2      GLN  25 -21.374  -4.512  -0.902
  201   2HE2  GLN  25          2HE2      GLN  25 -22.483  -3.487  -1.680
  202    H    GLU  26           HN       GLU  26 -16.404  -2.098   2.989
  203    HA   GLU  26           HA       GLU  26 -15.707   0.534   2.998
  204   1HB   GLU  26          2HB       GLU  26 -14.347  -1.576   1.296
  205   2HB   GLU  26          1HB       GLU  26 -13.580  -0.176   2.044
  206   1HG   GLU  26          2HG       GLU  26 -13.138  -1.554   3.788
  207   2HG   GLU  26          1HG       GLU  26 -14.850  -1.400   4.180
  208    HA   PRO  27           HA       PRO  27 -17.732   1.663  -0.943
  209   1HB   PRO  27          2HB       PRO  27 -17.548   4.378  -0.013
  210   2HB   PRO  27          1HB       PRO  27 -18.991   3.368  -0.143
  211   1HG   PRO  27          2HG       PRO  27 -17.674   4.219   2.246
  212   2HG   PRO  27          1HG       PRO  27 -19.063   3.139   2.110
  213   1HD   PRO  27          2HD       PRO  27 -16.315   2.469   2.795
  214   2HD   PRO  27          1HD       PRO  27 -17.745   1.410   2.797
  215    H    ARG  28           HN       ARG  28 -14.847   2.890   0.652
  216    HA   ARG  28           HA       ARG  28 -13.857   4.404  -1.634
  217   1HB   ARG  28          2HB       ARG  28 -12.605   3.333   0.914
  218   2HB   ARG  28          1HB       ARG  28 -11.786   4.430  -0.198
  219   1HG   ARG  28          2HG       ARG  28 -13.679   6.049   0.096
  220   2HG   ARG  28          1HG       ARG  28 -14.355   4.973   1.320
  221   1HD   ARG  28          2HD       ARG  28 -11.624   6.309   1.430
  222   2HD   ARG  28          1HD       ARG  28 -13.030   6.706   2.436
  223    HE   ARG  28           HE       ARG  28 -12.734   3.990   2.823
  224   1HH1  ARG  28          1HH1      ARG  28 -10.013   5.850   2.265
  225   2HH1  ARG  28          2HH1      ARG  28  -9.265   5.544   3.796
  226   1HH2  ARG  28          1HH2      ARG  28 -12.040   3.950   5.132
  227   2HH2  ARG  28          2HH2      ARG  28 -10.412   4.467   5.419
  228    H    VAL  29           HN       VAL  29 -12.289   3.734  -3.146
  229    HA   VAL  29           HA       VAL  29 -11.387   0.883  -3.017
  230    HB   VAL  29           HB       VAL  29 -13.428   1.170  -4.434
  231   1HG1  VAL  29          1HG1      VAL  29 -12.346   3.573  -5.112
  232   2HG1  VAL  29          3HG1      VAL  29 -11.891   2.609  -6.516
  233   3HG1  VAL  29          2HG1      VAL  29 -13.588   2.761  -6.064
  234   1HG2  VAL  29          3HG2      VAL  29 -10.959  -0.056  -5.122
  235   2HG2  VAL  29          2HG2      VAL  29 -12.574  -0.504  -5.673
  236   3HG2  VAL  29          1HG2      VAL  29 -11.613   0.646  -6.602
  237    H    GLY  30           HN       GLY  30  -9.254   0.627  -3.670
  238   1HA   GLY  30          1HA       GLY  30  -7.535   2.882  -3.914
  239   2HA   GLY  30          2HA       GLY  30  -7.876   2.276  -5.535
  240    H    LYS  31           HN       LYS  31  -5.287   2.115  -4.770
  241    HA   LYS  31           HA       LYS  31  -4.925  -0.797  -4.137
  242   1HB   LYS  31          2HB       LYS  31  -3.319   1.121  -5.858
  243   2HB   LYS  31          1HB       LYS  31  -2.916  -0.576  -5.594
  244   1HG   LYS  31          2HG       LYS  31  -5.120  -1.221  -6.552
  245   2HG   LYS  31          1HG       LYS  31  -5.456   0.481  -6.874
  246   1HD   LYS  31          2HD       LYS  31  -3.403   0.580  -8.288
  247   2HD   LYS  31          1HD       LYS  31  -3.168  -1.147  -8.024
  248   1HE   LYS  31          2HE       LYS  31  -5.258  -1.667  -9.145
  249   2HE   LYS  31          1HE       LYS  31  -5.678   0.053  -9.250
  250   1HZ   LYS  31          2HZ       LYS  31  -3.324   0.194 -10.340
  251   2HZ   LYS  31          1HZ       LYS  31  -3.591  -1.449 -10.682
  252   3HZ   LYS  31          3HZ       LYS  31  -4.663  -0.276 -11.274
  253    H    LEU  32           HN       LEU  32  -2.952  -1.328  -2.931
  254    HA   LEU  32           HA       LEU  32  -1.470  -1.000  -1.120
  255   1HB   LEU  32          2HB       LEU  32  -1.297   1.595  -2.676
  256   2HB   LEU  32          1HB       LEU  32  -0.205   1.198  -1.350
  257    HG   LEU  32           HG       LEU  32   0.248  -0.999  -2.624
  258   1HD1  LEU  32          2HD1      LEU  32  -1.296   0.613  -4.644
  259   2HD1  LEU  32          1HD1      LEU  32  -0.049  -0.515  -5.177
  260   3HD1  LEU  32          3HD1      LEU  32  -1.434  -1.102  -4.256
  261   1HD2  LEU  32          2HD2      LEU  32   1.170   1.757  -3.270
  262   2HD2  LEU  32          1HD2      LEU  32   2.094   0.366  -2.701
  263   3HD2  LEU  32          3HD2      LEU  32   1.633   0.484  -4.399
  264    H    ARG  33           HN       ARG  33  -2.745  -0.966   0.747
  265    HA   ARG  33           HA       ARG  33  -4.128   1.584   1.465
  266   1HB   ARG  33          2HB       ARG  33  -4.295  -1.255   2.534
  267   2HB   ARG  33          1HB       ARG  33  -5.290   0.089   3.094
  268   1HG   ARG  33          2HG       ARG  33  -6.141   0.386   0.772
  269   2HG   ARG  33          1HG       ARG  33  -5.207  -1.025   0.273
  270   1HD   ARG  33          2HD       ARG  33  -6.459  -2.372   2.008
  271   2HD   ARG  33          1HD       ARG  33  -7.496  -0.957   2.268
  272    HE   ARG  33           HE       ARG  33  -7.275  -2.474  -0.298
  273   1HH1  ARG  33          1HH1      ARG  33  -9.457  -1.397   1.929
  274   2HH1  ARG  33          2HH1      ARG  33 -10.500  -0.578   0.814
  275   1HH2  ARG  33          1HH2      ARG  33  -8.297  -0.848  -1.851
  276   2HH2  ARG  33          2HH2      ARG  33  -9.843  -0.268  -1.327
  277    H    ASN  34           HN       ASN  34  -1.577   2.117   1.798
  278    HA   ASN  34           HA       ASN  34  -0.567   1.198   4.418
  279   1HB   ASN  34          2HB       ASN  34   0.451   3.100   2.284
  280   2HB   ASN  34          1HB       ASN  34   1.369   2.644   3.719
  281   1HD2  ASN  34          1HD2      ASN  34   2.299   2.010   1.072
  282   2HD2  ASN  34          2HD2      ASN  34   2.256   0.324   0.883
  283    H    PHE  35           HN       PHE  35  -2.984   3.162   3.852
  284    HA   PHE  35           HA       PHE  35  -2.086   5.603   5.243
  285   1HB   PHE  35          2HB       PHE  35  -4.757   4.597   4.212
  286   2HB   PHE  35          1HB       PHE  35  -4.498   6.207   4.881
  287    HD1  PHE  35           HD1      PHE  35  -2.964   7.810   3.739
  288    HD2  PHE  35           HD2      PHE  35  -3.990   4.014   2.008
  289    HE1  PHE  35           HE1      PHE  35  -2.138   8.591   1.534
  290    HE2  PHE  35           HE2      PHE  35  -3.163   4.796  -0.195
  291    HZ   PHE  35           HZ       PHE  35  -2.238   7.084  -0.433
  292    H    ALA  36           HN       ALA  36  -2.345   2.724   6.488
  293    HA   ALA  36           HA       ALA  36  -4.393   2.602   8.405
  294   1HB   ALA  36          3HB       ALA  36  -2.454   0.995   7.760
  295   2HB   ALA  36          2HB       ALA  36  -1.524   1.863   8.982
  296   3HB   ALA  36          1HB       ALA  36  -2.993   1.000   9.439
  297    HA   PRO  37           HA       PRO  37  -3.729   5.991  11.137
  298   1HB   PRO  37          2HB       PRO  37  -4.472   4.426  13.437
  299   2HB   PRO  37          1HB       PRO  37  -5.462   5.581  12.541
  300   1HG   PRO  37          2HG       PRO  37  -5.693   2.721  12.579
  301   2HG   PRO  37          1HG       PRO  37  -6.673   3.875  11.670
  302   1HD   PRO  37          2HD       PRO  37  -4.675   2.047  10.654
  303   2HD   PRO  37          1HD       PRO  37  -5.681   3.191   9.734
  304    H    ILE  38           HN       ILE  38  -3.032   5.438  13.960
  305    HA   ILE  38           HA       ILE  38  -0.231   4.422  13.602
  306    HB   ILE  38           HB       ILE  38  -1.184   6.656  15.418
  307   1HG1  ILE  38          2HG1      ILE  38  -1.579   7.193  13.017
  308   2HG1  ILE  38          1HG1      ILE  38  -0.325   8.207  13.730
  309   1HG2  ILE  38          2HG2      ILE  38   0.969   5.492  15.974
  310   2HG2  ILE  38          1HG2      ILE  38   1.578   5.947  14.382
  311   3HG2  ILE  38          3HG2      ILE  38   1.185   7.194  15.566
  312   1HD1  ILE  38          1HD1      ILE  38   1.067   5.974  12.810
  313   2HD1  ILE  38          3HD1      ILE  38  -0.127   6.278  11.547
  314   3HD1  ILE  38          2HD1      ILE  38   0.999   7.550  12.021
  315    HA   PRO  39           HA       PRO  39  -1.218   1.594  16.848
  316   1HB   PRO  39          2HB       PRO  39   1.504   1.611  17.776
  317   2HB   PRO  39          1HB       PRO  39   0.706   0.399  16.769
  318   1HG   PRO  39          2HG       PRO  39   2.700   2.310  15.982
  319   2HG   PRO  39          1HG       PRO  39   1.894   1.108  14.973
  320   1HD   PRO  39          2HD       PRO  39   1.517   3.973  14.964
  321   2HD   PRO  39          1HD       PRO  39   0.719   2.761  13.934
  322    H    GLY  40           HN       GLY  40  -1.124   1.508  19.269
  323   1HA   GLY  40          1HA       GLY  40  -0.381   4.096  20.545
  324   2HA   GLY  40          2HA       GLY  40  -0.600   2.571  21.403
  325    H    GLU  41           HN       GLU  41  -3.051   2.581  19.255
  326    HA   GLU  41           HA       GLU  41  -4.896   4.055  21.109
  327   1HB   GLU  41          2HB       GLU  41  -4.432   4.097  18.219
  328   2HB   GLU  41          1HB       GLU  41  -6.127   3.829  18.620
  329   1HG   GLU  41          2HG       GLU  41  -4.865   5.893  20.281
  330   2HG   GLU  41          1HG       GLU  41  -4.867   6.293  18.563
  331    HA   PRO  42           HA       PRO  42  -5.952  -0.456  21.245
  332   1HB   PRO  42          2HB       PRO  42  -7.015   0.121  23.856
  333   2HB   PRO  42          1HB       PRO  42  -5.578  -0.822  23.450
  334   1HG   PRO  42          2HG       PRO  42  -5.695   1.792  24.634
  335   2HG   PRO  42          1HG       PRO  42  -4.260   0.851  24.226
  336   1HD   PRO  42          2HD       PRO  42  -5.266   3.214  22.905
  337   2HD   PRO  42          1HD       PRO  42  -3.816   2.269  22.496
  338    H    VAL  43           HN       VAL  43  -8.007  -1.244  20.743
  339    HA   VAL  43           HA       VAL  43 -10.399   0.402  21.386
  340    HB   VAL  43           HB       VAL  43  -9.418   1.140  19.193
  341   1HG1  VAL  43          1HG1      VAL  43  -9.258  -1.714  18.840
  342   2HG1  VAL  43          3HG1      VAL  43 -10.255  -1.025  17.559
  343   3HG1  VAL  43          2HG1      VAL  43  -8.609  -0.440  17.808
  344   1HG2  VAL  43          2HG2      VAL  43 -11.951   1.027  19.793
  345   2HG2  VAL  43          1HG2      VAL  43 -11.502   1.268  18.105
  346   3HG2  VAL  43          3HG2      VAL  43 -11.996  -0.329  18.666
  347    H    VAL  44           HN       VAL  44 -10.216  -1.813  22.734
  348    HA   VAL  44           HA       VAL  44 -11.817  -3.850  21.222
  349    HB   VAL  44           HB       VAL  44  -9.528  -4.237  23.179
  350   1HG1  VAL  44          1HG1      VAL  44 -11.641  -6.061  22.131
  351   2HG1  VAL  44          3HG1      VAL  44 -10.001  -6.701  22.220
  352   3HG1  VAL  44          2HG1      VAL  44 -10.791  -6.097  23.675
  353   1HG2  VAL  44          1HG2      VAL  44  -9.863  -4.569  20.203
  354   2HG2  VAL  44          3HG2      VAL  44  -8.570  -3.757  21.084
  355   3HG2  VAL  44          2HG2      VAL  44  -8.662  -5.518  21.080
  356    HA   PRO  45           HA       PRO  45 -13.680  -2.319  25.314
  357   1HB   PRO  45          2HB       PRO  45 -16.114  -1.916  23.834
  358   2HB   PRO  45          1HB       PRO  45 -15.102  -0.699  24.615
  359   1HG   PRO  45          2HG       PRO  45 -15.409  -1.206  21.800
  360   2HG   PRO  45          1HG       PRO  45 -14.414   0.025  22.580
  361   1HD   PRO  45          2HD       PRO  45 -13.527  -2.361  21.228
  362   2HD   PRO  45          1HD       PRO  45 -12.526  -1.137  22.046
  363    H    ILE  46           HN       ILE  46 -15.673  -3.376  26.317
  364    HA   ILE  46           HA       ILE  46 -15.671  -6.169  26.137
  365    HB   ILE  46           HB       ILE  46 -17.919  -4.253  26.842
  366   1HG1  ILE  46          2HG1      ILE  46 -15.877  -5.636  28.608
  367   2HG1  ILE  46          1HG1      ILE  46 -15.753  -3.959  28.076
  368   1HG2  ILE  46          2HG2      ILE  46 -17.497  -7.174  27.550
  369   2HG2  ILE  46          1HG2      ILE  46 -18.758  -6.142  28.225
  370   3HG2  ILE  46          3HG2      ILE  46 -18.764  -6.533  26.505
  371   1HD1  ILE  46          1HD1      ILE  46 -18.368  -4.235  29.087
  372   2HD1  ILE  46          3HD1      ILE  46 -17.327  -5.072  30.239
  373   3HD1  ILE  46          2HD1      ILE  46 -17.025  -3.379  29.844
  374    H    LEU  47           HN       LEU  47 -17.733  -3.857  24.370
  375    HA   LEU  47           HA       LEU  47 -18.847  -6.116  22.761
  376   1HB   LEU  47          2HB       LEU  47 -19.664  -3.198  22.961
  377   2HB   LEU  47          1HB       LEU  47 -20.592  -4.497  22.212
  378    HG   LEU  47           HG       LEU  47 -19.847  -4.295  25.146
  379   1HD1  LEU  47          2HD1      LEU  47 -21.826  -2.946  23.880
  380   2HD1  LEU  47          1HD1      LEU  47 -22.662  -4.464  24.212
  381   3HD1  LEU  47          3HD1      LEU  47 -21.971  -3.529  25.538
  382   1HD2  LEU  47          2HD2      LEU  47 -20.908  -6.491  23.443
  383   2HD2  LEU  47          1HD2      LEU  47 -19.952  -6.577  24.923
  384   3HD2  LEU  47          3HD2      LEU  47 -21.687  -6.268  25.009
  385    H    CYS  48           HN       CYS  48 -16.104  -4.833  22.449
  386    HA   CYS  48           HA       CYS  48 -14.718  -4.166  20.649
  387   1HB   CYS  48          2HB       CYS  48 -17.183  -5.175  19.191
  388   2HB   CYS  48          1HB       CYS  48 -15.635  -4.844  18.414
  389    H    SER  49           HN       SER  49 -14.338  -2.239  19.517
  390    HA   SER  49           HA       SER  49 -16.155  -0.042  19.955
  391   1HB   SER  49          2HB       SER  49 -13.677   0.095  19.827
  392   2HB   SER  49          1HB       SER  49 -13.759  -0.328  18.117
  393    HG   SER  49           HG       SER  49 -13.905   1.758  17.896
  394    H    ASN  50           HN       ASN  50 -14.850  -0.941  16.778
  395    HA   ASN  50           HA       ASN  50 -17.286  -0.020  15.448
  396   1HB   ASN  50          2HB       ASN  50 -14.582  -1.081  14.709
  397   2HB   ASN  50          1HB       ASN  50 -15.841  -1.032  13.474
  398   1HD2  ASN  50          1HD2      ASN  50 -17.201   1.323  14.076
  399   2HD2  ASN  50          2HD2      ASN  50 -16.152   2.653  13.959
  400    HA   PRO  51           HA       PRO  51 -19.143  -4.108  15.839
  401   1HB   PRO  51          2HB       PRO  51 -21.318  -3.101  14.249
  402   2HB   PRO  51          1HB       PRO  51 -21.289  -3.395  15.990
  403   1HG   PRO  51          2HG       PRO  51 -21.330  -0.870  14.648
  404   2HG   PRO  51          1HG       PRO  51 -21.227  -1.165  16.385
  405   1HD   PRO  51          2HD       PRO  51 -19.142  -0.222  14.593
  406   2HD   PRO  51          1HD       PRO  51 -19.074  -0.413  16.360
  407    H    ASN  52           HN       ASN  52 -17.764  -2.573  13.226
  408    HA   ASN  52           HA       ASN  52 -18.335  -4.901  11.434
  409   1HB   ASN  52          2HB       ASN  52 -18.252  -1.937  10.786
  410   2HB   ASN  52          1HB       ASN  52 -18.343  -3.210   9.569
  411   1HD2  ASN  52          1HD2      ASN  52 -20.446  -1.287   9.844
  412   2HD2  ASN  52          2HD2      ASN  52 -21.830  -2.081  10.421
  413    H    PHE  53           HN       PHE  53 -16.047  -4.282  13.239
  414    HA   PHE  53           HA       PHE  53 -13.815  -3.383  11.585
  415   1HB   PHE  53          2HB       PHE  53 -12.584  -3.710  13.585
  416   2HB   PHE  53          1HB       PHE  53 -14.203  -3.334  14.168
  417    HD1  PHE  53           HD1      PHE  53 -15.783  -5.280  14.711
  418    HD2  PHE  53           HD2      PHE  53 -11.554  -5.781  14.129
  419    HE1  PHE  53           HE1      PHE  53 -15.878  -7.460  15.886
  420    HE2  PHE  53           HE2      PHE  53 -11.650  -7.962  15.308
  421    HZ   PHE  53           HZ       PHE  53 -13.813  -8.800  16.184
  422    HA   PRO  54           HA       PRO  54 -12.288  -7.125   9.830
  423   1HB   PRO  54          2HB       PRO  54 -10.112  -7.709  11.630
  424   2HB   PRO  54          1HB       PRO  54 -10.027  -7.003  10.016
  425   1HG   PRO  54          2HG       PRO  54  -9.639  -5.702  12.559
  426   2HG   PRO  54          1HG       PRO  54  -9.511  -4.997  10.946
  427   1HD   PRO  54          2HD       PRO  54 -11.553  -4.524  12.889
  428   2HD   PRO  54          1HD       PRO  54 -11.495  -3.903  11.225
  429    H    GLU  55           HN       GLU  55 -14.370  -7.962  10.921
  430    HA   GLU  55           HA       GLU  55 -14.646  -9.322  13.301
  431   1HB   GLU  55          2HB       GLU  55 -16.329  -9.023  11.483
  432   2HB   GLU  55          1HB       GLU  55 -15.526 -10.303  10.567
  433   1HG   GLU  55          2HG       GLU  55 -15.915 -11.864  12.471
  434   2HG   GLU  55          1HG       GLU  55 -16.794 -10.586  13.310
  435    H    GLU  56           HN       GLU  56 -12.856 -10.448  10.443
  436    HA   GLU  56           HA       GLU  56 -12.403 -13.146  11.181
  437   1HB   GLU  56          2HB       GLU  56 -10.622 -11.090   9.825
  438   2HB   GLU  56          1HB       GLU  56 -10.323 -12.828   9.800
  439   1HG   GLU  56          2HG       GLU  56 -12.570 -13.157   8.757
  440   2HG   GLU  56          1HG       GLU  56 -12.767 -11.405   8.699
  441    H    LEU  57           HN       LEU  57 -11.366 -10.219  12.633
  442    HA   LEU  57           HA       LEU  57  -9.159 -11.500  14.167
  443   1HB   LEU  57          2HB       LEU  57 -10.197  -8.688  13.732
  444   2HB   LEU  57          1HB       LEU  57  -8.967  -9.047  14.944
  445    HG   LEU  57           HG       LEU  57  -7.599 -10.121  13.151
  446   1HD1  LEU  57          3HD1      LEU  57 -10.031  -9.482  11.612
  447   2HD1  LEU  57          2HD1      LEU  57  -8.520  -9.069  10.803
  448   3HD1  LEU  57          1HD1      LEU  57  -8.814 -10.725  11.330
  449   1HD2  LEU  57          2HD2      LEU  57  -8.385  -7.229  13.098
  450   2HD2  LEU  57          1HD2      LEU  57  -6.854  -7.958  13.582
  451   3HD2  LEU  57          3HD2      LEU  57  -7.267  -7.826  11.871
  452    H    LYS  58           HN       LYS  58 -12.334 -11.592  14.385
  453    HA   LYS  58           HA       LYS  58 -13.397 -10.548  16.677
  454   1HB   LYS  58          2HB       LYS  58 -13.645 -13.010  15.113
  455   2HB   LYS  58          1HB       LYS  58 -14.146 -13.223  16.791
  456   1HG   LYS  58          2HG       LYS  58 -15.169 -10.714  15.905
  457   2HG   LYS  58          1HG       LYS  58 -15.559 -11.911  14.669
  458   1HD   LYS  58          2HD       LYS  58 -16.135 -13.318  16.930
  459   2HD   LYS  58          1HD       LYS  58 -16.533 -11.683  17.457
  460   1HE   LYS  58          2HE       LYS  58 -18.213 -11.433  15.834
  461   2HE   LYS  58          1HE       LYS  58 -17.517 -12.683  14.785
  462   1HZ   LYS  58          3HZ       LYS  58 -17.895 -14.102  16.974
  463   2HZ   LYS  58          2HZ       LYS  58 -19.140 -12.968  17.204
  464   3HZ   LYS  58          1HZ       LYS  58 -19.110 -13.930  15.804
  465    HA   PRO  59           HA       PRO  59 -11.331 -14.106  19.344
  466   1HB   PRO  59          2HB       PRO  59  -8.822 -14.601  18.015
  467   2HB   PRO  59          1HB       PRO  59 -10.123 -15.746  18.353
  468   1HG   PRO  59          2HG       PRO  59  -9.396 -14.532  15.820
  469   2HG   PRO  59          1HG       PRO  59 -10.589 -15.795  16.132
  470   1HD   PRO  59          2HD       PRO  59 -11.126 -13.112  15.390
  471   2HD   PRO  59          1HD       PRO  59 -12.316 -14.300  15.966
  472    H    LEU  60           HN       LEU  60  -9.217 -11.909  17.441
  473    HA   LEU  60           HA       LEU  60  -7.434 -11.215  19.551
  474   1HB   LEU  60          2HB       LEU  60  -8.406  -9.998  16.984
  475   2HB   LEU  60          1HB       LEU  60  -7.382  -9.034  18.048
  476    HG   LEU  60           HG       LEU  60  -5.722 -10.898  18.060
  477   1HD1  LEU  60          1HD1      LEU  60  -7.630 -12.056  16.011
  478   2HD1  LEU  60          3HD1      LEU  60  -6.001 -12.662  16.306
  479   3HD1  LEU  60          2HD1      LEU  60  -7.220 -12.755  17.577
  480   1HD2  LEU  60          1HD2      LEU  60  -5.971  -8.942  16.256
  481   2HD2  LEU  60          3HD2      LEU  60  -4.725 -10.179  16.100
  482   3HD2  LEU  60          2HD2      LEU  60  -6.218 -10.310  15.172
  483    H    CYS  61           HN       CYS  61 -10.638  -9.954  18.648
  484    HA   CYS  61           HA       CYS  61 -10.626  -7.677  20.402
  485   1HB   CYS  61          2HB       CYS  61 -12.149  -8.014  18.488
  486   2HB   CYS  61          1HB       CYS  61 -12.872  -9.401  19.302
  487    H    LYS  62           HN       LYS  62 -11.327 -11.099  20.884
  488    HA   LYS  62           HA       LYS  62 -12.238 -10.540  23.679
  489   1HB   LYS  62          2HB       LYS  62 -12.341 -13.000  21.897
  490   2HB   LYS  62          1HB       LYS  62 -13.005 -12.917  23.528
  491   1HG   LYS  62          2HG       LYS  62 -14.465 -11.027  22.791
  492   2HG   LYS  62          1HG       LYS  62 -13.855 -11.236  21.149
  493   1HD   LYS  62          2HD       LYS  62 -14.664 -13.604  21.202
  494   2HD   LYS  62          1HD       LYS  62 -15.371 -13.291  22.787
  495   1HE   LYS  62          2HE       LYS  62 -16.365 -11.187  21.306
  496   2HE   LYS  62          1HE       LYS  62 -16.351 -12.507  20.120
  497   1HZ   LYS  62          3HZ       LYS  62 -17.436 -13.929  21.752
  498   2HZ   LYS  62          2HZ       LYS  62 -17.454 -12.661  22.883
  499   3HZ   LYS  62          1HZ       LYS  62 -18.379 -12.549  21.462
  500    H    GLU  63           HN       GLU  63  -9.401 -10.521  22.535
  501    HA   GLU  63           HA       GLU  63  -8.229 -12.693  24.232
  502   1HB   GLU  63          2HB       GLU  63  -7.821 -11.691  21.534
  503   2HB   GLU  63          1HB       GLU  63  -6.320 -11.635  22.455
  504   1HG   GLU  63          2HG       GLU  63  -7.049 -13.828  21.153
  505   2HG   GLU  63          1HG       GLU  63  -6.227 -13.925  22.713
  506    HA   PRO  64           HA       PRO  64  -6.626  -9.475  26.815
  507   1HB   PRO  64          2HB       PRO  64  -4.407 -11.150  27.561
  508   2HB   PRO  64          1HB       PRO  64  -5.876 -10.822  28.483
  509   1HG   PRO  64          2HG       PRO  64  -5.136 -13.264  27.182
  510   2HG   PRO  64          1HG       PRO  64  -6.631 -12.917  28.056
  511   1HD   PRO  64          2HD       PRO  64  -6.250 -13.202  25.191
  512   2HD   PRO  64          1HD       PRO  64  -7.770 -12.942  26.080
  513    H    ASN  65           HN       ASN  65  -4.629 -11.270  24.508
  514    HA   ASN  65           HA       ASN  65  -2.432  -9.336  24.536
  515   1HB   ASN  65          2HB       ASN  65  -3.199 -11.577  22.636
  516   2HB   ASN  65          1HB       ASN  65  -1.630 -10.770  22.680
  517   1HD2  ASN  65          1HD2      ASN  65  -1.937 -13.603  23.184
  518   2HD2  ASN  65          2HD2      ASN  65  -1.515 -13.893  24.802
  519    H    ALA  66           HN       ALA  66  -5.537  -9.314  23.163
  520    HA   ALA  66           HA       ALA  66  -5.334  -8.303  20.582
  521   1HB   ALA  66          2HB       ALA  66  -7.310  -8.644  22.314
  522   2HB   ALA  66          3HB       ALA  66  -7.488  -7.502  20.984
  523   3HB   ALA  66          1HB       ALA  66  -7.077  -6.920  22.597
  524    H    GLN  67           HN       GLN  67  -4.771  -6.554  23.633
  525    HA   GLN  67           HA       GLN  67  -4.435  -3.937  22.567
  526   1HB   GLN  67          2HB       GLN  67  -3.209  -5.374  24.942
  527   2HB   GLN  67          1HB       GLN  67  -3.130  -3.628  24.701
  528   1HG   GLN  67          2HG       GLN  67  -5.596  -3.517  24.685
  529   2HG   GLN  67          1HG       GLN  67  -5.678  -5.263  24.915
  530   1HE2  GLN  67          1HE2      GLN  67  -6.830  -3.504  26.837
  531   2HE2  GLN  67          2HE2      GLN  67  -5.926  -3.594  28.271
  532    H    GLU  68           HN       GLU  68  -2.075  -6.584  23.025
  533    HA   GLU  68           HA       GLU  68   0.155  -4.985  21.994
  534   1HB   GLU  68          2HB       GLU  68   0.346  -6.795  23.704
  535   2HB   GLU  68          1HB       GLU  68  -0.154  -7.966  22.485
  536   1HG   GLU  68          2HG       GLU  68   1.798  -7.246  21.081
  537   2HG   GLU  68          1HG       GLU  68   2.330  -6.229  22.420
  538    H    ILE  69           HN       ILE  69  -2.018  -7.514  20.769
  539    HA   ILE  69           HA       ILE  69  -0.697  -7.931  18.251
  540    HB   ILE  69           HB       ILE  69  -3.590  -8.235  19.122
  541   1HG1  ILE  69          2HG1      ILE  69  -1.346 -10.270  18.983
  542   2HG1  ILE  69          1HG1      ILE  69  -1.883  -9.484  20.467
  543   1HG2  ILE  69          3HG2      ILE  69  -2.135  -8.855  16.611
  544   2HG2  ILE  69          2HG2      ILE  69  -3.181 -10.134  17.228
  545   3HG2  ILE  69          1HG2      ILE  69  -3.851  -8.542  16.869
  546   1HD1  ILE  69          3HD1      ILE  69  -4.130 -10.576  18.976
  547   2HD1  ILE  69          2HD1      ILE  69  -2.941 -11.824  19.349
  548   3HD1  ILE  69          1HD1      ILE  69  -3.654 -10.870  20.649
  549    H    LEU  70           HN       LEU  70  -3.352  -5.750  19.239
  550    HA   LEU  70           HA       LEU  70  -4.035  -4.704  16.708
  551   1HB   LEU  70          2HB       LEU  70  -5.385  -4.171  18.569
  552   2HB   LEU  70          1HB       LEU  70  -4.003  -3.628  19.524
  553    HG   LEU  70           HG       LEU  70  -3.792  -1.907  17.465
  554   1HD1  LEU  70          3HD1      LEU  70  -6.638  -2.852  17.533
  555   2HD1  LEU  70          2HD1      LEU  70  -6.283  -1.175  17.120
  556   3HD1  LEU  70          1HD1      LEU  70  -5.619  -2.485  16.142
  557   1HD2  LEU  70          3HD2      LEU  70  -5.525  -1.733  19.929
  558   2HD2  LEU  70          2HD2      LEU  70  -3.879  -1.138  19.708
  559   3HD2  LEU  70          1HD2      LEU  70  -5.223  -0.343  18.886
  560    H    GLN  71           HN       GLN  71  -1.763  -3.206  19.073
  561    HA   GLN  71           HA       GLN  71  -0.808  -1.102  17.517
  562   1HB   GLN  71          2HB       GLN  71   0.677  -2.981  19.387
  563   2HB   GLN  71          1HB       GLN  71   1.267  -1.394  18.892
  564   1HG   GLN  71          2HG       GLN  71  -0.695  -0.321  19.892
  565   2HG   GLN  71          1HG       GLN  71  -1.362  -1.896  20.323
  566   1HE2  GLN  71          1HE2      GLN  71  -0.815   0.039  22.346
  567   2HE2  GLN  71          2HE2      GLN  71   0.479  -0.515  23.293
  568    H    ARG  72           HN       ARG  72  -0.447  -4.484  16.969
  569    HA   ARG  72           HA       ARG  72   1.909  -4.210  15.203
  570   1HB   ARG  72          2HB       ARG  72   1.365  -6.180  16.740
  571   2HB   ARG  72          1HB       ARG  72   0.048  -6.569  15.634
  572   1HG   ARG  72          2HG       ARG  72   1.702  -6.691  13.768
  573   2HG   ARG  72          1HG       ARG  72   2.996  -6.415  14.935
  574   1HD   ARG  72          2HD       ARG  72   1.024  -8.725  15.094
  575   2HD   ARG  72          1HD       ARG  72   2.670  -8.851  14.443
  576    HE   ARG  72           HE       ARG  72   2.045  -8.047  17.265
  577   1HH1  ARG  72          1HH1      ARG  72   4.691  -7.734  15.431
  578   2HH1  ARG  72          2HH1      ARG  72   5.686  -8.890  16.250
  579   1HH2  ARG  72          1HH2      ARG  72   3.068 -10.243  18.079
  580   2HH2  ARG  72          2HH2      ARG  72   4.768 -10.310  17.750
  581    H    LEU  73           HN       LEU  73  -1.466  -5.378  14.835
  582    HA   LEU  73           HA       LEU  73  -1.600  -5.409  12.023
  583   1HB   LEU  73          2HB       LEU  73  -3.686  -4.556  14.066
  584   2HB   LEU  73          1HB       LEU  73  -4.033  -5.096  12.424
  585    HG   LEU  73           HG       LEU  73  -2.715  -6.733  14.612
  586   1HD1  LEU  73          2HD1      LEU  73  -5.430  -6.785  13.280
  587   2HD1  LEU  73          1HD1      LEU  73  -4.789  -8.166  14.170
  588   3HD1  LEU  73          3HD1      LEU  73  -5.068  -6.635  14.999
  589   1HD2  LEU  73          3HD2      LEU  73  -2.632  -6.947  11.727
  590   2HD2  LEU  73          2HD2      LEU  73  -1.826  -7.948  12.936
  591   3HD2  LEU  73          1HD2      LEU  73  -3.466  -8.340  12.417
  592    H    GLU  74           HN       GLU  74  -2.396  -2.725  14.259
  593    HA   GLU  74           HA       GLU  74  -2.957  -0.730  12.341
  594   1HB   GLU  74          2HB       GLU  74  -1.672  -0.661  15.088
  595   2HB   GLU  74          1HB       GLU  74  -2.208   0.787  14.238
  596   1HG   GLU  74          2HG       GLU  74  -4.494  -0.298  14.049
  597   2HG   GLU  74          1HG       GLU  74  -3.910  -1.550  15.144
  598    H    GLU  75           HN       GLU  75   0.203  -1.361  13.980
  599    HA   GLU  75           HA       GLU  75   1.722   0.475  12.419
  600   1HB   GLU  75          2HB       GLU  75   2.367  -0.618  14.569
  601   2HB   GLU  75          1HB       GLU  75   2.536  -2.149  13.713
  602   1HG   GLU  75          2HG       GLU  75   4.238  -1.077  12.227
  603   2HG   GLU  75          1HG       GLU  75   4.124   0.386  13.205
  604    H    ILE  76           HN       ILE  76   1.422  -3.090  12.059
  605    HA   ILE  76           HA       ILE  76   2.885  -3.272   9.611
  606    HB   ILE  76           HB       ILE  76   0.634  -4.968  10.745
  607   1HG1  ILE  76          2HG1      ILE  76   2.398  -4.801  12.363
  608   2HG1  ILE  76          1HG1      ILE  76   2.619  -6.350  11.548
  609   1HG2  ILE  76          2HG2      ILE  76   2.748  -5.525   8.645
  610   2HG2  ILE  76          1HG2      ILE  76   1.784  -6.784   9.417
  611   3HG2  ILE  76          3HG2      ILE  76   0.999  -5.552   8.428
  612   1HD1  ILE  76          2HD1      ILE  76   4.273  -5.270  10.024
  613   2HD1  ILE  76          1HD1      ILE  76   4.097  -3.772  10.937
  614   3HD1  ILE  76          3HD1      ILE  76   4.774  -5.202  11.714
  615    H    ALA  77           HN       ALA  77  -0.515  -2.600  10.304
  616    HA   ALA  77           HA       ALA  77  -1.597  -2.900   7.689
  617   1HB   ALA  77          3HB       ALA  77  -3.103  -2.613   9.480
  618   2HB   ALA  77          2HB       ALA  77  -2.211  -1.237  10.128
  619   3HB   ALA  77          1HB       ALA  77  -3.179  -1.051   8.664
  620    H    GLU  78           HN       GLU  78   0.186  -0.253   9.215
  621    HA   GLU  78           HA       GLU  78  -0.256   1.797   7.302
  622   1HB   GLU  78          2HB       GLU  78   0.844   1.959   9.552
  623   2HB   GLU  78          1HB       GLU  78   2.263   1.163   8.871
  624   1HG   GLU  78          2HG       GLU  78   2.440   2.990   7.186
  625   2HG   GLU  78          1HG       GLU  78   1.076   3.800   7.956
  626    H    ASP  79           HN       ASP  79   2.140  -0.852   7.337
  627    HA   ASP  79           HA       ASP  79   2.554  -0.415   4.415
  628   1HB   ASP  79          2HB       ASP  79   5.004  -0.479   4.785
  629   2HB   ASP  79          1HB       ASP  79   4.267   0.874   5.640
  630    HA   PRO  80           HA       PRO  80   2.417  -4.794   4.165
  631   1HB   PRO  80          2HB       PRO  80   4.604  -4.933   2.301
  632   2HB   PRO  80          1HB       PRO  80   2.874  -5.007   1.958
  633   1HG   PRO  80          2HG       PRO  80   4.702  -2.844   1.424
  634   2HG   PRO  80          1HG       PRO  80   2.984  -2.943   1.030
  635   1HD   PRO  80          2HD       PRO  80   4.225  -1.304   3.036
  636   2HD   PRO  80          1HD       PRO  80   2.486  -1.468   2.698
  637    H    GLY  81           HN       GLY  81   5.823  -3.626   4.009
  638   1HA   GLY  81          1HA       GLY  81   6.497  -5.027   6.471
  639   2HA   GLY  81          2HA       GLY  81   7.629  -4.173   5.422
  640    H    THR  82           HN       THR  82   7.539  -6.996   6.671
  641    HA   THR  82           HA       THR  82   8.742  -8.361   4.376
  642    HB   THR  82           HB       THR  82   9.256 -10.040   6.068
  643    HG1  THR  82          1HG       THR  82   7.353 -10.179   7.167
  644   1HG2  THR  82          2HG2      THR  82  10.547  -7.925   6.111
  645   2HG2  THR  82          1HG2      THR  82   9.391  -7.256   7.261
  646   3HG2  THR  82          3HG2      THR  82  10.397  -8.631   7.719
  647    H    CYS  83           HN       CYS  83   5.622  -8.261   5.901
  648    HA   CYS  83           HA       CYS  83   4.575 -10.817   5.305
  649   1HB   CYS  83          2HB       CYS  83   3.316  -9.286   6.626
  650   2HB   CYS  83          1HB       CYS  83   3.412  -8.027   5.393
  651    H    GLU  84           HN       GLU  84   4.379  -7.868   3.279
  652    HA   GLU  84           HA       GLU  84   3.172  -9.009   1.003
  653   1HB   GLU  84          2HB       GLU  84   3.566  -6.601   1.499
  654   2HB   GLU  84          1HB       GLU  84   5.281  -6.836   1.164
  655   1HG   GLU  84          2HG       GLU  84   4.682  -7.612  -1.133
  656   2HG   GLU  84          1HG       GLU  84   2.992  -7.248  -0.786
  657    H    ILE  85           HN       ILE  85   6.566  -9.121   2.029
  658    HA   ILE  85           HA       ILE  85   7.319 -10.406  -0.551
  659    HB   ILE  85           HB       ILE  85   9.593  -9.985   0.226
  660   1HG1  ILE  85          2HG1      ILE  85   8.218  -9.300   2.833
  661   2HG1  ILE  85          1HG1      ILE  85   9.402 -10.577   2.554
  662   1HG2  ILE  85          1HG2      ILE  85   7.670  -7.708   0.771
  663   2HG2  ILE  85          3HG2      ILE  85   9.417  -7.502   0.659
  664   3HG2  ILE  85          2HG2      ILE  85   8.502  -8.058  -0.744
  665   1HD1  ILE  85          2HD1      ILE  85  10.776  -8.388   1.668
  666   2HD1  ILE  85          1HD1      ILE  85   9.804  -7.674   2.955
  667   3HD1  ILE  85          3HD1      ILE  85  10.888  -9.018   3.312
  668    H    CYS  86           HN       CYS  86   5.802 -11.581   1.970
  669    HA   CYS  86           HA       CYS  86   5.759 -13.662   3.096
  670   1HB   CYS  86          2HB       CYS  86   7.484 -14.533   0.768
  671   2HB   CYS  86          1HB       CYS  86   6.267 -15.477   1.626
  672    H    ALA  87           HN       ALA  87   8.182 -11.779   3.458
  673    HA   ALA  87           HA       ALA  87  10.501 -13.467   3.862
  674   1HB   ALA  87          2HB       ALA  87  10.892 -11.275   5.431
  675   2HB   ALA  87          3HB       ALA  87   9.608 -10.685   4.375
  676   3HB   ALA  87          1HB       ALA  87  11.122 -11.267   3.682
  677    H    TYR  88           HN       TYR  88   7.585 -13.097   5.603
  678    HA   TYR  88           HA       TYR  88   8.706 -14.670   7.858
  679   1HB   TYR  88          2HB       TYR  88   7.603 -11.870   7.964
  680   2HB   TYR  88          1HB       TYR  88   7.429 -12.932   9.362
  681    HD1  TYR  88           HD1      TYR  88   9.901 -11.375   7.060
  682    HD2  TYR  88           HD2      TYR  88   9.291 -13.447  10.771
  683    HE1  TYR  88           HE1      TYR  88  12.246 -10.899   7.709
  684    HE2  TYR  88           HE2      TYR  88  11.636 -12.972  11.422
  685    HH   TYR  88           HH       TYR  88  13.976 -12.045   9.319
  686    H    ALA  89           HN       ALA  89   6.813 -15.305   9.367
  687    HA   ALA  89           HA       ALA  89   4.629 -16.358   7.733
  688   1HB   ALA  89          1HB       ALA  89   5.779 -17.503   9.661
  689   2HB   ALA  89          2HB       ALA  89   4.023 -17.457   9.818
  690   3HB   ALA  89          3HB       ALA  89   5.020 -16.334  10.743
  691    H    ALA  90           HN       ALA  90   5.137 -13.331   8.962
  692    HA   ALA  90           HA       ALA  90   2.665 -12.677  10.259
  693   1HB   ALA  90          3HB       ALA  90   4.946 -11.291   8.935
  694   2HB   ALA  90          2HB       ALA  90   3.474 -10.347   9.170
  695   3HB   ALA  90          1HB       ALA  90   4.290 -11.070  10.557
  696    H    CYS  91           HN       CYS  91   3.330 -13.474   7.001
  697    HA   CYS  91           HA       CYS  91   0.897 -12.016   6.042
  698   1HB   CYS  91          2HB       CYS  91   3.410 -12.032   5.069
  699   2HB   CYS  91          1HB       CYS  91   2.768 -13.420   4.196
  700    H    THR  92           HN       THR  92   0.084 -13.486   3.960
  701    HA   THR  92           HA       THR  92  -0.110 -16.342   4.753
  702    HB   THR  92           HB       THR  92  -2.669 -14.891   4.244
  703    HG1  THR  92          1HG       THR  92  -1.550 -13.560   5.720
  704   1HG2  THR  92          2HG2      THR  92  -1.812 -17.067   6.171
  705   2HG2  THR  92          1HG2      THR  92  -3.466 -16.505   5.932
  706   3HG2  THR  92          3HG2      THR  92  -2.614 -17.322   4.623
  707    H    GLY  93           HN       GLY  93  -0.296 -13.842   2.369
  708   1HA   GLY  93          1HA       GLY  93  -0.603 -13.914   0.043
  709   2HA   GLY  93          2HA       GLY  93  -1.669 -15.294   0.303
  710    H    CYS  94           HN       CYS  94   1.580 -15.438   1.542
  711    HA   CYS  94           HA       CYS  94   2.280 -17.355  -0.653
  712   1HB   CYS  94          2HB       CYS  94   4.664 -16.473  -0.025
  713   2HB   CYS  94          1HB       CYS  94   3.627 -15.472  -1.036

  No H/Q in entry =         713
  Start of MODEL   30
    1    H1   VAL   1          2H        VAL   1  -2.559 -12.013  -0.181
    2    H2   VAL   1          1H        VAL   1  -1.169 -12.296  -1.117
    3    H3   VAL   1          3H        VAL   1  -1.844 -13.554  -0.203
    4    HA   VAL   1           HA       VAL   1  -0.267 -13.010   1.304
    5    HB   VAL   1           HB       VAL   1  -0.344 -10.410  -0.239
    6   1HG1  VAL   1          2HG1      VAL   1   0.119 -10.030   2.222
    7   2HG1  VAL   1          1HG1      VAL   1   1.531 -11.072   2.046
    8   3HG1  VAL   1          3HG1      VAL   1   1.435  -9.558   1.148
    9   1HG2  VAL   1          2HG2      VAL   1   0.814 -12.730  -0.902
   10   2HG2  VAL   1          1HG2      VAL   1   1.577 -11.182  -1.259
   11   3HG2  VAL   1          3HG2      VAL   1   2.081 -12.107   0.155
   12    H    THR   2           HN       THR   2  -1.712 -13.229   3.059
   13    HA   THR   2           HA       THR   2  -3.116 -10.722   3.931
   14    HB   THR   2           HB       THR   2  -3.807 -13.636   4.426
   15    HG1  THR   2          1HG       THR   2  -5.299 -13.367   2.840
   16   1HG2  THR   2          3HG2      THR   2  -4.981 -11.019   5.275
   17   2HG2  THR   2          2HG2      THR   2  -6.076 -12.358   4.929
   18   3HG2  THR   2          1HG2      THR   2  -4.840 -12.529   6.175
   19    H    VAL   3           HN       VAL   3  -2.990 -10.213   6.179
   20    HA   VAL   3           HA       VAL   3  -0.618 -11.270   7.554
   21    HB   VAL   3           HB       VAL   3  -2.342  -8.929   7.575
   22   1HG1  VAL   3          2HG1      VAL   3  -1.750 -10.291  10.206
   23   2HG1  VAL   3          1HG1      VAL   3  -1.949  -8.541  10.099
   24   3HG1  VAL   3          3HG1      VAL   3  -3.277  -9.609   9.645
   25   1HG2  VAL   3          1HG2      VAL   3   0.447  -9.726   8.219
   26   2HG2  VAL   3          3HG2      VAL   3  -0.141  -8.384   7.237
   27   3HG2  VAL   3          2HG2      VAL   3  -0.143  -8.255   8.996
   28    H    GLN   4           HN       GLN   4  -0.842 -13.179   8.637
   29    HA   GLN   4           HA       GLN   4  -3.451 -13.751   9.996
   30   1HB   GLN   4          2HB       GLN   4  -2.617 -15.275   8.193
   31   2HB   GLN   4          1HB       GLN   4  -1.187 -15.597   9.173
   32   1HG   GLN   4          2HG       GLN   4  -2.627 -16.465  10.985
   33   2HG   GLN   4          1HG       GLN   4  -4.052 -16.150   9.998
   34   1HE2  GLN   4          1HE2      GLN   4  -3.821 -18.761  10.687
   35   2HE2  GLN   4          2HE2      GLN   4  -3.227 -19.703   9.407
   36    H    ASP   5           HN       ASP   5  -3.393 -13.434  12.172
   37    HA   ASP   5           HA       ASP   5  -0.780 -13.596  13.607
   38   1HB   ASP   5          2HB       ASP   5  -3.510 -12.458  14.296
   39   2HB   ASP   5          1HB       ASP   5  -2.121 -12.419  15.385
   40    H    GLY   6           HN       GLY   6  -3.115 -15.694  12.773
   41   1HA   GLY   6          1HA       GLY   6  -4.152 -16.901  15.067
   42   2HA   GLY   6          2HA       GLY   6  -2.520 -17.551  14.903
   43    H    ASN   7           HN       ASN   7  -5.286 -18.772  14.485
   44    HA   ASN   7           HA       ASN   7  -4.584 -20.306  12.088
   45   1HB   ASN   7          2HB       ASN   7  -6.950 -20.322  13.989
   46   2HB   ASN   7          1HB       ASN   7  -6.655 -21.544  12.753
   47   1HD2  ASN   7          1HD2      ASN   7  -6.713 -22.263  15.515
   48   2HD2  ASN   7          2HD2      ASN   7  -5.147 -22.712  15.992
   49    H    PHE   8           HN       PHE   8  -5.915 -17.319  12.376
   50    HA   PHE   8           HA       PHE   8  -7.716 -17.732  10.008
   51   1HB   PHE   8          2HB       PHE   8  -7.960 -15.756  12.301
   52   2HB   PHE   8          1HB       PHE   8  -9.108 -15.949  10.977
   53    HD1  PHE   8           HD1      PHE   8  -7.638 -17.590  13.961
   54    HD2  PHE   8           HD2      PHE   8 -10.683 -17.768  10.936
   55    HE1  PHE   8           HE1      PHE   8  -8.775 -19.404  15.212
   56    HE2  PHE   8           HE2      PHE   8 -11.820 -19.583  12.187
   57    HZ   PHE   8           HZ       PHE   8 -10.865 -20.401  14.325
   58    H    SER   9           HN       SER   9  -7.295 -16.379   8.272
   59    HA   SER   9           HA       SER   9  -4.895 -14.706   8.341
   60   1HB   SER   9          2HB       SER   9  -7.035 -15.216   6.247
   61   2HB   SER   9          1HB       SER   9  -5.503 -14.397   5.941
   62    HG   SER   9           HG       SER   9  -6.021 -17.023   6.061
   63    H    PHE  10           HN       PHE  10  -4.865 -12.516   8.699
   64    HA   PHE  10           HA       PHE  10  -7.500 -11.091   8.827
   65   1HB   PHE  10          2HB       PHE  10  -4.846 -10.537  10.193
   66   2HB   PHE  10          1HB       PHE  10  -6.360  -9.682  10.492
   67    HD1  PHE  10           HD1      PHE  10  -8.197 -12.119  10.252
   68    HD2  PHE  10           HD2      PHE  10  -4.526 -11.480  12.388
   69    HE1  PHE  10           HE1      PHE  10  -8.848 -13.862  11.892
   70    HE2  PHE  10           HE2      PHE  10  -5.178 -13.223  14.028
   71    HZ   PHE  10           HZ       PHE  10  -7.339 -14.412  13.780
   72    H    SER  11           HN       SER  11  -7.797  -9.637   7.188
   73    HA   SER  11           HA       SER  11  -5.637  -8.842   5.405
   74   1HB   SER  11          2HB       SER  11  -7.421  -7.708   4.244
   75   2HB   SER  11          1HB       SER  11  -8.104  -9.206   4.874
   76    HG   SER  11           HG       SER  11  -8.796  -7.942   6.710
   77    H    LEU  12           HN       LEU  12  -5.343  -6.385   4.964
   78    HA   LEU  12           HA       LEU  12  -4.948  -5.022   7.590
   79   1HB   LEU  12          2HB       LEU  12  -3.783  -4.621   4.817
   80   2HB   LEU  12          1HB       LEU  12  -3.343  -3.658   6.227
   81    HG   LEU  12           HG       LEU  12  -1.681  -5.363   6.075
   82   1HD1  LEU  12          2HD1      LEU  12  -3.143  -5.051   8.306
   83   2HD1  LEU  12          1HD1      LEU  12  -3.480  -6.754   8.001
   84   3HD1  LEU  12          3HD1      LEU  12  -1.816  -6.209   8.210
   85   1HD2  LEU  12          3HD2      LEU  12  -3.415  -6.765   4.601
   86   2HD2  LEU  12          2HD2      LEU  12  -2.051  -7.540   5.408
   87   3HD2  LEU  12          1HD2      LEU  12  -3.657  -7.601   6.134
   88    H    GLU  13           HN       GLU  13  -6.971  -4.921   4.823
   89    HA   GLU  13           HA       GLU  13  -7.449  -2.119   4.541
   90   1HB   GLU  13          2HB       GLU  13  -9.323  -4.478   4.158
   91   2HB   GLU  13          1HB       GLU  13  -9.493  -2.890   3.413
   92   1HG   GLU  13          2HG       GLU  13  -7.345  -3.206   2.242
   93   2HG   GLU  13          1HG       GLU  13  -7.169  -4.794   2.989
   94    H    SER  14           HN       SER  14  -9.844  -4.369   5.928
   95    HA   SER  14           HA       SER  14 -11.476  -2.627   7.290
   96   1HB   SER  14          2HB       SER  14 -10.417  -5.190   8.501
   97   2HB   SER  14          1HB       SER  14 -12.034  -4.508   8.674
   98    HG   SER  14           HG       SER  14 -11.425  -6.274   6.979
   99    H    VAL  15           HN       VAL  15  -8.376  -3.908   8.535
  100    HA   VAL  15           HA       VAL  15  -8.478  -2.598  11.073
  101    HB   VAL  15           HB       VAL  15  -6.304  -3.643   9.259
  102   1HG1  VAL  15          1HG1      VAL  15  -5.976  -1.768  11.393
  103   2HG1  VAL  15          3HG1      VAL  15  -5.384  -3.332  11.951
  104   3HG1  VAL  15          2HG1      VAL  15  -4.721  -2.610  10.486
  105   1HG2  VAL  15          1HG2      VAL  15  -8.024  -4.619  11.450
  106   2HG2  VAL  15          3HG2      VAL  15  -7.199  -5.525  10.176
  107   3HG2  VAL  15          2HG2      VAL  15  -6.319  -5.044  11.628
  108    H    LYS  16           HN       LYS  16  -6.998  -1.593   7.959
  109    HA   LYS  16           HA       LYS  16  -5.941   0.900   8.797
  110   1HB   LYS  16          2HB       LYS  16  -5.405   0.186   6.619
  111   2HB   LYS  16          1HB       LYS  16  -7.076  -0.238   6.247
  112   1HG   LYS  16          2HG       LYS  16  -6.227   1.874   5.116
  113   2HG   LYS  16          1HG       LYS  16  -7.705   2.076   6.056
  114   1HD   LYS  16          2HD       LYS  16  -5.554   2.465   7.858
  115   2HD   LYS  16          1HD       LYS  16  -5.154   3.377   6.403
  116   1HE   LYS  16          2HE       LYS  16  -6.880   4.861   6.716
  117   2HE   LYS  16          1HE       LYS  16  -7.974   3.605   7.327
  118   1HZ   LYS  16          3HZ       LYS  16  -5.595   4.192   8.917
  119   2HZ   LYS  16          2HZ       LYS  16  -6.814   5.376   8.922
  120   3HZ   LYS  16          1HZ       LYS  16  -7.162   3.792   9.427
  121    H    LYS  17           HN       LYS  17  -9.171   0.142   7.457
  122    HA   LYS  17           HA       LYS  17 -10.212   2.815   8.055
  123   1HB   LYS  17          2HB       LYS  17 -11.663   0.256   7.312
  124   2HB   LYS  17          1HB       LYS  17 -12.221   1.909   7.053
  125   1HG   LYS  17          2HG       LYS  17  -9.677   0.821   5.822
  126   2HG   LYS  17          1HG       LYS  17 -11.239   0.758   5.006
  127   1HD   LYS  17          2HD       LYS  17 -11.409   3.261   5.350
  128   2HD   LYS  17          1HD       LYS  17  -9.738   3.228   5.912
  129   1HE   LYS  17          2HE       LYS  17  -8.901   2.681   3.794
  130   2HE   LYS  17          1HE       LYS  17 -10.437   1.968   3.265
  131   1HZ   LYS  17          1HZ       LYS  17 -11.376   4.295   3.630
  132   2HZ   LYS  17          3HZ       LYS  17  -9.767   4.830   3.651
  133   3HZ   LYS  17          2HZ       LYS  17 -10.392   4.074   2.263
  134    H    LEU  18           HN       LEU  18  -9.368   0.384  10.068
  135    HA   LEU  18           HA       LEU  18 -11.660  -0.136  11.685
  136   1HB   LEU  18          2HB       LEU  18  -9.490  -1.358  11.619
  137   2HB   LEU  18          1HB       LEU  18  -8.707   0.032  12.365
  138    HG   LEU  18           HG       LEU  18 -10.123  -0.212  14.353
  139   1HD1  LEU  18          2HD1      LEU  18 -11.566  -2.020  12.542
  140   2HD1  LEU  18          1HD1      LEU  18 -11.285  -2.711  14.140
  141   3HD1  LEU  18          3HD1      LEU  18 -12.142  -1.178  13.982
  142   1HD2  LEU  18          2HD2      LEU  18  -7.984  -1.476  14.213
  143   2HD2  LEU  18          1HD2      LEU  18  -9.190  -2.344  15.163
  144   3HD2  LEU  18          3HD2      LEU  18  -8.852  -2.842  13.507
  145    H    LYS  19           HN       LYS  19  -9.542   2.649  11.446
  146    HA   LYS  19           HA       LYS  19 -10.022   3.765  14.057
  147   1HB   LYS  19          2HB       LYS  19  -8.194   4.374  12.468
  148   2HB   LYS  19          1HB       LYS  19  -9.394   5.118  11.413
  149   1HG   LYS  19          2HG       LYS  19 -10.050   6.629  13.289
  150   2HG   LYS  19          1HG       LYS  19  -8.765   5.925  14.271
  151   1HD   LYS  19          2HD       LYS  19  -7.122   6.619  12.500
  152   2HD   LYS  19          1HD       LYS  19  -8.437   7.451  11.670
  153   1HE   LYS  19          2HE       LYS  19  -8.243   8.122  14.537
  154   2HE   LYS  19          1HE       LYS  19  -6.834   8.619  13.581
  155   1HZ   LYS  19          1HZ       LYS  19  -8.439   9.497  11.909
  156   2HZ   LYS  19          3HZ       LYS  19  -9.696   9.196  13.007
  157   3HZ   LYS  19          2HZ       LYS  19  -8.485  10.323  13.394
  158    H    ASP  20           HN       ASP  20 -11.782   3.927  10.990
  159    HA   ASP  20           HA       ASP  20 -13.859   5.626  12.337
  160   1HB   ASP  20          2HB       ASP  20 -12.624   6.626  10.414
  161   2HB   ASP  20          1HB       ASP  20 -13.185   5.300   9.394
  162    H    LEU  21           HN       LEU  21 -15.715   4.510  12.771
  163    HA   LEU  21           HA       LEU  21 -16.203   1.875  11.551
  164   1HB   LEU  21          2HB       LEU  21 -16.558   2.744  13.997
  165   2HB   LEU  21          1HB       LEU  21 -18.069   3.393  13.363
  166    HG   LEU  21           HG       LEU  21 -18.477   1.031  12.415
  167   1HD1  LEU  21          1HD1      LEU  21 -15.975   0.677  13.957
  168   2HD1  LEU  21          3HD1      LEU  21 -17.212  -0.546  14.243
  169   3HD1  LEU  21          2HD1      LEU  21 -16.609  -0.267  12.609
  170   1HD2  LEU  21          2HD2      LEU  21 -18.667   2.002  15.207
  171   2HD2  LEU  21          1HD2      LEU  21 -19.929   1.391  14.139
  172   3HD2  LEU  21          3HD2      LEU  21 -18.877   0.263  14.993
  173    H    GLN  22           HN       GLN  22 -18.473   1.427  10.699
  174    HA   GLN  22           HA       GLN  22 -20.189   1.869   9.140
  175   1HB   GLN  22          2HB       GLN  22 -19.807   4.685  10.209
  176   2HB   GLN  22          1HB       GLN  22 -21.255   4.051   9.427
  177   1HG   GLN  22          2HG       GLN  22 -21.530   2.409  11.241
  178   2HG   GLN  22          1HG       GLN  22 -20.068   3.014  12.021
  179   1HE2  GLN  22          1HE2      GLN  22 -22.605   3.100  13.355
  180   2HE2  GLN  22          2HE2      GLN  22 -23.065   4.724  13.529
  181    H    GLU  23           HN       GLU  23 -17.796   1.632   7.911
  182    HA   GLU  23           HA       GLU  23 -17.858   3.806   5.855
  183   1HB   GLU  23          2HB       GLU  23 -15.504   2.620   7.350
  184   2HB   GLU  23          1HB       GLU  23 -15.315   3.568   5.875
  185   1HG   GLU  23          2HG       GLU  23 -17.077   4.985   7.631
  186   2HG   GLU  23          1HG       GLU  23 -15.644   4.520   8.546
  187    HA   PRO  24           HA       PRO  24 -17.809   0.629   2.834
  188   1HB   PRO  24          2HB       PRO  24 -15.590   1.694   1.343
  189   2HB   PRO  24          1HB       PRO  24 -17.313   1.861   0.998
  190   1HG   PRO  24          2HG       PRO  24 -15.497   3.868   1.979
  191   2HG   PRO  24          1HG       PRO  24 -17.212   4.044   1.602
  192   1HD   PRO  24          2HD       PRO  24 -15.979   4.020   4.202
  193   2HD   PRO  24          1HD       PRO  24 -17.713   4.142   3.825
  194    H    GLN  25           HN       GLN  25 -16.952  -1.404   3.117
  195    HA   GLN  25           HA       GLN  25 -14.612  -1.988   4.610
  196   1HB   GLN  25          2HB       GLN  25 -16.110  -3.546   2.481
  197   2HB   GLN  25          1HB       GLN  25 -14.936  -4.259   3.587
  198   1HG   GLN  25          2HG       GLN  25 -16.305  -3.535   5.510
  199   2HG   GLN  25          1HG       GLN  25 -17.478  -2.816   4.406
  200   1HE2  GLN  25          1HE2      GLN  25 -18.258  -4.906   6.192
  201   2HE2  GLN  25          2HE2      GLN  25 -18.612  -6.293   5.280
  202    H    GLU  26           HN       GLU  26 -15.088  -1.611   1.117
  203    HA   GLU  26           HA       GLU  26 -12.133  -1.358   0.797
  204   1HB   GLU  26          2HB       GLU  26 -14.026  -3.283  -0.565
  205   2HB   GLU  26          1HB       GLU  26 -12.486  -2.836  -1.300
  206   1HG   GLU  26          2HG       GLU  26 -11.237  -3.753   0.499
  207   2HG   GLU  26          1HG       GLU  26 -12.652  -3.832   1.547
  208    HA   PRO  27           HA       PRO  27 -14.641   1.939  -1.332
  209   1HB   PRO  27          2HB       PRO  27 -12.464   3.698  -0.666
  210   2HB   PRO  27          1HB       PRO  27 -14.107   3.709  -0.023
  211   1HG   PRO  27          2HG       PRO  27 -11.702   2.916   1.320
  212   2HG   PRO  27          1HG       PRO  27 -13.349   2.897   1.954
  213   1HD   PRO  27          2HD       PRO  27 -11.706   0.638   1.190
  214   2HD   PRO  27          1HD       PRO  27 -13.348   0.619   1.873
  215    H    ARG  28           HN       ARG  28 -14.236   2.620  -3.461
  216    HA   ARG  28           HA       ARG  28 -12.332   1.340  -5.083
  217   1HB   ARG  28          2HB       ARG  28 -13.656   4.059  -5.364
  218   2HB   ARG  28          1HB       ARG  28 -12.910   3.163  -6.687
  219   1HG   ARG  28          2HG       ARG  28 -14.479   1.261  -6.197
  220   2HG   ARG  28          1HG       ARG  28 -15.288   2.296  -5.019
  221   1HD   ARG  28          2HD       ARG  28 -14.972   2.933  -7.977
  222   2HD   ARG  28          1HD       ARG  28 -16.465   2.381  -7.196
  223    HE   ARG  28           HE       ARG  28 -15.443   4.619  -5.740
  224   1HH1  ARG  28          1HH1      ARG  28 -17.791   3.673  -7.927
  225   2HH1  ARG  28          2HH1      ARG  28 -18.116   5.260  -8.541
  226   1HH2  ARG  28          1HH2      ARG  28 -15.448   6.736  -6.890
  227   2HH2  ARG  28          2HH2      ARG  28 -16.791   6.993  -7.953
  228    H    VAL  29           HN       VAL  29 -10.255   1.950  -5.846
  229    HA   VAL  29           HA       VAL  29  -8.114   2.937  -5.686
  230    HB   VAL  29           HB       VAL  29 -10.192   5.022  -5.606
  231   1HG1  VAL  29          3HG1      VAL  29  -7.396   5.623  -4.592
  232   2HG1  VAL  29          2HG1      VAL  29  -8.569   6.846  -5.081
  233   3HG1  VAL  29          1HG1      VAL  29  -8.899   5.814  -3.691
  234   1HG2  VAL  29          3HG2      VAL  29  -8.428   3.997  -7.438
  235   2HG2  VAL  29          2HG2      VAL  29  -9.257   5.543  -7.612
  236   3HG2  VAL  29          1HG2      VAL  29  -7.617   5.491  -6.967
  237    H    GLY  30           HN       GLY  30  -6.603   4.004  -4.059
  238   1HA   GLY  30          1HA       GLY  30  -7.563   4.089  -1.277
  239   2HA   GLY  30          2HA       GLY  30  -5.937   4.496  -1.824
  240    H    LYS  31           HN       LYS  31  -6.215   1.785  -3.405
  241    HA   LYS  31           HA       LYS  31  -6.371  -0.409  -1.666
  242   1HB   LYS  31          2HB       LYS  31  -4.553   0.171  -4.024
  243   2HB   LYS  31          1HB       LYS  31  -4.766  -1.436  -3.327
  244   1HG   LYS  31          2HG       LYS  31  -7.230  -1.227  -3.736
  245   2HG   LYS  31          1HG       LYS  31  -6.925   0.303  -4.559
  246   1HD   LYS  31          2HD       LYS  31  -5.404  -0.899  -6.136
  247   2HD   LYS  31          1HD       LYS  31  -5.845  -2.418  -5.356
  248   1HE   LYS  31          2HE       LYS  31  -7.938  -2.449  -6.320
  249   2HE   LYS  31          1HE       LYS  31  -8.100  -0.683  -6.261
  250   1HZ   LYS  31          3HZ       LYS  31  -6.240  -0.639  -7.944
  251   2HZ   LYS  31          2HZ       LYS  31  -6.472  -2.311  -8.136
  252   3HZ   LYS  31          1HZ       LYS  31  -7.723  -1.228  -8.518
  253    H    LEU  32           HN       LEU  32  -3.806   1.978  -1.994
  254    HA   LEU  32           HA       LEU  32  -1.648   0.636  -0.762
  255   1HB   LEU  32          2HB       LEU  32  -2.531   3.533  -0.565
  256   2HB   LEU  32          1HB       LEU  32  -0.903   2.942  -0.232
  257    HG   LEU  32           HG       LEU  32  -2.371   2.804  -2.883
  258   1HD1  LEU  32          1HD1      LEU  32  -1.212   4.977  -1.983
  259   2HD1  LEU  32          3HD1      LEU  32   0.282   4.120  -2.357
  260   3HD1  LEU  32          2HD1      LEU  32  -0.887   4.452  -3.635
  261   1HD2  LEU  32          3HD2      LEU  32  -0.146   1.251  -1.791
  262   2HD2  LEU  32          2HD2      LEU  32  -1.078   0.989  -3.265
  263   3HD2  LEU  32          1HD2      LEU  32   0.292   2.099  -3.275
  264    H    ARG  33           HN       ARG  33  -4.357   2.401   0.719
  265    HA   ARG  33           HA       ARG  33  -4.929   2.645   3.023
  266   1HB   ARG  33          2HB       ARG  33  -4.291  -0.304   2.655
  267   2HB   ARG  33          1HB       ARG  33  -5.257   0.353   3.976
  268   1HG   ARG  33          2HG       ARG  33  -6.798   1.350   2.240
  269   2HG   ARG  33          1HG       ARG  33  -5.898   0.455   1.015
  270   1HD   ARG  33          2HD       ARG  33  -6.401  -1.661   2.314
  271   2HD   ARG  33          1HD       ARG  33  -7.484  -0.697   3.334
  272    HE   ARG  33           HE       ARG  33  -8.992  -0.574   1.508
  273   1HH1  ARG  33          1HH1      ARG  33  -6.316  -2.461   0.679
  274   2HH1  ARG  33          2HH1      ARG  33  -6.568  -2.364  -1.030
  275   1HH2  ARG  33          1HH2      ARG  33  -9.126  -0.036  -0.790
  276   2HH2  ARG  33          2HH2      ARG  33  -8.158  -0.992  -1.863
  277    H    ASN  34           HN       ASN  34  -2.742   3.837   3.341
  278    HA   ASN  34           HA       ASN  34  -0.989   2.218   5.158
  279   1HB   ASN  34          2HB       ASN  34   0.870   3.518   4.279
  280   2HB   ASN  34          1HB       ASN  34  -0.044   2.873   2.916
  281   1HD2  ASN  34          1HD2      ASN  34  -0.890   4.383   1.433
  282   2HD2  ASN  34          2HD2      ASN  34  -0.876   6.064   1.671
  283    H    PHE  35           HN       PHE  35  -3.243   3.611   6.178
  284    HA   PHE  35           HA       PHE  35  -2.047   6.066   7.406
  285   1HB   PHE  35          2HB       PHE  35  -4.907   5.076   7.158
  286   2HB   PHE  35          1HB       PHE  35  -4.428   6.615   7.872
  287    HD1  PHE  35           HD1      PHE  35  -3.468   8.410   6.474
  288    HD2  PHE  35           HD2      PHE  35  -4.819   4.709   4.762
  289    HE1  PHE  35           HE1      PHE  35  -3.422   9.438   4.218
  290    HE2  PHE  35           HE2      PHE  35  -4.774   5.737   2.506
  291    HZ   PHE  35           HZ       PHE  35  -4.075   8.101   2.233
  292    H    ALA  36           HN       ALA  36  -1.267   5.747   9.447
  293    HA   ALA  36           HA       ALA  36  -1.814   3.348  10.976
  294   1HB   ALA  36          2HB       ALA  36  -0.518   5.991  11.708
  295   2HB   ALA  36          3HB       ALA  36   0.311   4.605  10.999
  296   3HB   ALA  36          1HB       ALA  36  -0.366   4.492  12.624
  297    HA   PRO  37           HA       PRO  37  -5.659   4.976  12.663
  298   1HB   PRO  37          2HB       PRO  37  -5.748   2.634  14.329
  299   2HB   PRO  37          1HB       PRO  37  -6.698   2.974  12.881
  300   1HG   PRO  37          2HG       PRO  37  -4.577   1.074  13.179
  301   2HG   PRO  37          1HG       PRO  37  -5.493   1.448  11.717
  302   1HD   PRO  37          2HD       PRO  37  -2.743   2.138  12.335
  303   2HD   PRO  37          1HD       PRO  37  -3.643   2.441  10.830
  304    H    ILE  38           HN       ILE  38  -2.645   4.440  14.112
  305    HA   ILE  38           HA       ILE  38  -1.699   5.415  16.054
  306    HB   ILE  38           HB       ILE  38  -4.471   6.442  16.680
  307   1HG1  ILE  38          2HG1      ILE  38  -2.986   8.347  15.156
  308   2HG1  ILE  38          1HG1      ILE  38  -3.028   6.842  14.238
  309   1HG2  ILE  38          1HG2      ILE  38  -2.367   6.744  18.170
  310   2HG2  ILE  38          3HG2      ILE  38  -1.827   7.869  16.924
  311   3HG2  ILE  38          2HG2      ILE  38  -3.329   8.175  17.797
  312   1HD1  ILE  38          1HD1      ILE  38  -5.574   7.689  15.529
  313   2HD1  ILE  38          3HD1      ILE  38  -5.029   8.647  14.152
  314   3HD1  ILE  38          2HD1      ILE  38  -5.309   6.915  13.966
  315    HA   PRO  39           HA       PRO  39  -3.572   1.717  18.180
  316   1HB   PRO  39          2HB       PRO  39  -0.857   1.026  18.834
  317   2HB   PRO  39          1HB       PRO  39  -1.956   0.189  17.733
  318   1HG   PRO  39          2HG       PRO  39   0.349   1.765  17.064
  319   2HG   PRO  39          1HG       PRO  39  -0.757   0.940  15.963
  320   1HD   PRO  39          2HD       PRO  39  -0.508   3.781  16.431
  321   2HD   PRO  39          1HD       PRO  39  -1.611   2.949  15.309
  322    H    GLY  40           HN       GLY  40  -3.544   1.318  20.513
  323   1HA   GLY  40          1HA       GLY  40  -2.193   3.471  22.088
  324   2HA   GLY  40          2HA       GLY  40  -2.477   1.849  22.714
  325    H    GLU  41           HN       GLU  41  -5.127   1.484  21.832
  326    HA   GLU  41           HA       GLU  41  -6.571   3.610  23.383
  327   1HB   GLU  41          2HB       GLU  41  -7.024   2.289  20.760
  328   2HB   GLU  41          1HB       GLU  41  -8.461   2.563  21.744
  329   1HG   GLU  41          2HG       GLU  41  -8.433   4.756  21.228
  330   2HG   GLU  41          1HG       GLU  41  -6.787   4.902  21.843
  331    HA   PRO  42           HA       PRO  42  -8.324   0.609  26.044
  332   1HB   PRO  42          2HB       PRO  42 -11.081   1.217  25.494
  333   2HB   PRO  42          1HB       PRO  42 -10.093   1.767  26.849
  334   1HG   PRO  42          2HG       PRO  42 -11.026   3.306  24.616
  335   2HG   PRO  42          1HG       PRO  42 -10.018   3.850  25.959
  336   1HD   PRO  42          2HD       PRO  42  -9.235   3.403  23.209
  337   2HD   PRO  42          1HD       PRO  42  -8.228   3.988  24.554
  338    H    VAL  43           HN       VAL  43  -9.401  -1.456  26.073
  339    HA   VAL  43           HA       VAL  43  -9.734  -3.552  24.980
  340    HB   VAL  43           HB       VAL  43 -11.936  -2.594  25.469
  341   1HG1  VAL  43          3HG1      VAL  43 -11.496  -1.192  22.829
  342   2HG1  VAL  43          2HG1      VAL  43 -13.111  -1.426  23.489
  343   3HG1  VAL  43          1HG1      VAL  43 -11.918  -0.484  24.385
  344   1HG2  VAL  43          1HG2      VAL  43 -11.388  -4.562  23.584
  345   2HG2  VAL  43          3HG2      VAL  43 -12.956  -4.259  24.331
  346   3HG2  VAL  43          2HG2      VAL  43 -12.567  -3.531  22.773
  347    H    VAL  44           HN       VAL  44  -7.787  -3.505  23.552
  348    HA   VAL  44           HA       VAL  44  -6.740  -3.470  21.413
  349    HB   VAL  44           HB       VAL  44  -9.227  -4.163  20.039
  350   1HG1  VAL  44          3HG1      VAL  44  -6.516  -5.148  20.440
  351   2HG1  VAL  44          2HG1      VAL  44  -7.692  -6.460  20.512
  352   3HG1  VAL  44          1HG1      VAL  44  -7.608  -5.432  19.085
  353   1HG2  VAL  44          1HG2      VAL  44  -8.707  -5.331  22.768
  354   2HG2  VAL  44          3HG2      VAL  44 -10.230  -4.751  22.091
  355   3HG2  VAL  44          2HG2      VAL  44  -9.529  -6.265  21.521
  356    HA   PRO  45           HA       PRO  45  -7.653   0.018  18.803
  357   1HB   PRO  45          2HB       PRO  45  -9.298  -1.027  16.682
  358   2HB   PRO  45          1HB       PRO  45  -7.583  -0.612  16.630
  359   1HG   PRO  45          2HG       PRO  45  -8.783  -3.233  16.655
  360   2HG   PRO  45          1HG       PRO  45  -7.072  -2.819  16.544
  361   1HD   PRO  45          2HD       PRO  45  -8.450  -3.981  18.760
  362   2HD   PRO  45          1HD       PRO  45  -6.746  -3.481  18.708
  363    H    ILE  46           HN       ILE  46  -9.145   1.660  19.061
  364    HA   ILE  46           HA       ILE  46 -11.397   1.567  20.615
  365    HB   ILE  46           HB       ILE  46 -12.146   3.534  19.021
  366   1HG1  ILE  46          2HG1      ILE  46  -9.288   3.242  18.108
  367   2HG1  ILE  46          1HG1      ILE  46 -10.602   2.501  17.196
  368   1HG2  ILE  46          3HG2      ILE  46 -10.064   3.220  21.022
  369   2HG2  ILE  46          2HG2      ILE  46  -9.662   4.510  19.886
  370   3HG2  ILE  46          1HG2      ILE  46 -11.182   4.563  20.779
  371   1HD1  ILE  46          1HD1      ILE  46 -11.692   4.896  17.416
  372   2HD1  ILE  46          3HD1      ILE  46 -10.023   5.405  17.667
  373   3HD1  ILE  46          2HD1      ILE  46 -10.481   4.587  16.173
  374    H    LEU  47           HN       LEU  47 -11.337   0.887  17.110
  375    HA   LEU  47           HA       LEU  47 -14.247   0.290  17.178
  376   1HB   LEU  47          2HB       LEU  47 -12.144   0.585  15.027
  377   2HB   LEU  47          1HB       LEU  47 -13.795   0.079  14.671
  378    HG   LEU  47           HG       LEU  47 -14.465   2.199  16.056
  379   1HD1  LEU  47          2HD1      LEU  47 -11.537   2.570  15.527
  380   2HD1  LEU  47          1HD1      LEU  47 -12.596   3.979  15.482
  381   3HD1  LEU  47          3HD1      LEU  47 -12.479   3.011  16.951
  382   1HD2  LEU  47          1HD2      LEU  47 -14.441   1.689  13.439
  383   2HD2  LEU  47          3HD2      LEU  47 -14.805   3.301  14.052
  384   3HD2  LEU  47          2HD2      LEU  47 -13.190   2.932  13.453
  385    H    CYS  48           HN       CYS  48 -11.777  -1.443  18.188
  386    HA   CYS  48           HA       CYS  48 -11.859  -3.837  16.552
  387   1HB   CYS  48          2HB       CYS  48 -10.042  -3.112  18.151
  388   2HB   CYS  48          1HB       CYS  48 -11.128  -3.521  19.479
  389    H    SER  49           HN       SER  49 -13.223  -3.108  19.796
  390    HA   SER  49           HA       SER  49 -14.829  -5.464  19.989
  391   1HB   SER  49          2HB       SER  49 -15.916  -4.218  21.784
  392   2HB   SER  49          1HB       SER  49 -14.194  -3.831  21.807
  393    HG   SER  49           HG       SER  49 -14.603  -1.861  21.150
  394    H    ASN  50           HN       ASN  50 -15.232  -2.431  18.298
  395    HA   ASN  50           HA       ASN  50 -17.989  -2.238  17.876
  396   1HB   ASN  50          2HB       ASN  50 -15.517  -1.339  16.728
  397   2HB   ASN  50          1HB       ASN  50 -16.617  -1.770  15.418
  398   1HD2  ASN  50          1HD2      ASN  50 -15.937   0.951  15.866
  399   2HD2  ASN  50          2HD2      ASN  50 -17.304   1.772  16.443
  400    HA   PRO  51           HA       PRO  51 -18.891  -6.122  15.875
  401   1HB   PRO  51          2HB       PRO  51 -21.399  -5.024  14.996
  402   2HB   PRO  51          1HB       PRO  51 -21.107  -6.129  16.341
  403   1HG   PRO  51          2HG       PRO  51 -21.864  -3.383  16.488
  404   2HG   PRO  51          1HG       PRO  51 -21.462  -4.455  17.831
  405   1HD   PRO  51          2HD       PRO  51 -19.888  -2.263  16.724
  406   2HD   PRO  51          1HD       PRO  51 -19.571  -3.230  18.184
  407    H    ASN  52           HN       ASN  52 -18.195  -3.201  14.405
  408    HA   ASN  52           HA       ASN  52 -18.795  -4.246  11.660
  409   1HB   ASN  52          2HB       ASN  52 -18.303  -1.438  12.696
  410   2HB   ASN  52          1HB       ASN  52 -18.709  -1.851  11.031
  411   1HD2  ASN  52          1HD2      ASN  52 -20.562  -4.063  12.067
  412   2HD2  ASN  52          2HD2      ASN  52 -21.953  -3.241  12.583
  413    H    PHE  53           HN       PHE  53 -16.297  -4.241  13.754
  414    HA   PHE  53           HA       PHE  53 -14.166  -3.156  12.052
  415   1HB   PHE  53          2HB       PHE  53 -12.814  -3.635  13.905
  416   2HB   PHE  53          1HB       PHE  53 -14.393  -3.440  14.667
  417    HD1  PHE  53           HD1      PHE  53 -15.860  -5.798  14.381
  418    HD2  PHE  53           HD2      PHE  53 -11.595  -5.426  14.759
  419    HE1  PHE  53           HE1      PHE  53 -15.735  -8.115  15.247
  420    HE2  PHE  53           HE2      PHE  53 -11.471  -7.752  15.628
  421    HZ   PHE  53           HZ       PHE  53 -13.544  -9.090  15.869
  422    HA   PRO  54           HA       PRO  54 -12.903  -6.753   9.853
  423   1HB   PRO  54          2HB       PRO  54 -10.474  -7.389  11.268
  424   2HB   PRO  54          1HB       PRO  54 -10.644  -6.548   9.726
  425   1HG   PRO  54          2HG       PRO  54  -9.880  -5.437  12.255
  426   2HG   PRO  54          1HG       PRO  54 -10.090  -4.587  10.723
  427   1HD   PRO  54          2HD       PRO  54 -11.785  -4.498  13.063
  428   2HD   PRO  54          1HD       PRO  54 -11.979  -3.601  11.539
  429    H    GLU  55           HN       GLU  55 -14.778  -7.683  11.180
  430    HA   GLU  55           HA       GLU  55 -14.785  -9.138  13.487
  431   1HB   GLU  55          2HB       GLU  55 -16.633  -8.910  11.850
  432   2HB   GLU  55          1HB       GLU  55 -15.829 -10.077  10.797
  433   1HG   GLU  55          2HG       GLU  55 -15.943 -11.755  12.650
  434   2HG   GLU  55          1HG       GLU  55 -16.863 -10.589  13.603
  435    H    GLU  56           HN       GLU  56 -13.032 -10.008  10.554
  436    HA   GLU  56           HA       GLU  56 -12.447 -12.728  11.075
  437   1HB   GLU  56          2HB       GLU  56 -10.778 -10.487   9.885
  438   2HB   GLU  56          1HB       GLU  56 -10.384 -12.200   9.733
  439   1HG   GLU  56          2HG       GLU  56 -12.613 -12.574   8.669
  440   2HG   GLU  56          1HG       GLU  56 -12.901 -10.836   8.731
  441    H    LEU  57           HN       LEU  57 -11.383  -9.824  12.669
  442    HA   LEU  57           HA       LEU  57  -9.163 -11.187  14.088
  443   1HB   LEU  57          2HB       LEU  57 -10.265  -8.381  14.418
  444   2HB   LEU  57          1HB       LEU  57  -8.660  -8.956  14.862
  445    HG   LEU  57           HG       LEU  57  -9.741  -8.870  12.030
  446   1HD1  LEU  57          1HD1      LEU  57  -9.071  -6.685  13.465
  447   2HD1  LEU  57          3HD1      LEU  57  -7.465  -7.171  12.919
  448   3HD1  LEU  57          2HD1      LEU  57  -8.731  -6.826  11.740
  449   1HD2  LEU  57          2HD2      LEU  57  -7.672 -10.380  13.143
  450   2HD2  LEU  57          1HD2      LEU  57  -7.899 -10.022  11.430
  451   3HD2  LEU  57          3HD2      LEU  57  -6.858  -8.994  12.415
  452    H    LYS  58           HN       LYS  58 -12.344 -11.428  14.399
  453    HA   LYS  58           HA       LYS  58 -13.334 -10.631  16.823
  454   1HB   LYS  58          2HB       LYS  58 -13.512 -13.040  15.120
  455   2HB   LYS  58          1HB       LYS  58 -14.068 -13.267  16.779
  456   1HG   LYS  58          2HG       LYS  58 -14.998 -10.744  15.635
  457   2HG   LYS  58          1HG       LYS  58 -15.545 -12.139  14.707
  458   1HD   LYS  58          2HD       LYS  58 -15.793 -12.743  17.501
  459   2HD   LYS  58          1HD       LYS  58 -16.561 -11.186  17.190
  460   1HE   LYS  58          2HE       LYS  58 -17.644 -12.395  15.138
  461   2HE   LYS  58          1HE       LYS  58 -17.214 -13.882  16.005
  462   1HZ   LYS  58          1HZ       LYS  58 -18.602 -11.593  17.292
  463   2HZ   LYS  58          3HZ       LYS  58 -19.441 -12.892  16.597
  464   3HZ   LYS  58          2HZ       LYS  58 -18.397 -13.163  17.909
  465    HA   PRO  59           HA       PRO  59 -11.004 -14.304  19.064
  466   1HB   PRO  59          2HB       PRO  59  -8.568 -14.638  17.561
  467   2HB   PRO  59          1HB       PRO  59  -9.828 -15.834  17.878
  468   1HG   PRO  59          2HG       PRO  59  -9.257 -14.435  15.410
  469   2HG   PRO  59          1HG       PRO  59 -10.442 -15.713  15.697
  470   1HD   PRO  59          2HD       PRO  59 -10.977 -12.959  15.207
  471   2HD   PRO  59          1HD       PRO  59 -12.154 -14.199  15.689
  472    H    LEU  60           HN       LEU  60  -8.982 -11.957  17.222
  473    HA   LEU  60           HA       LEU  60  -7.091 -11.411  19.256
  474   1HB   LEU  60          2HB       LEU  60  -8.259  -9.964  16.902
  475   2HB   LEU  60          1HB       LEU  60  -7.161  -9.097  17.974
  476    HG   LEU  60           HG       LEU  60  -5.505 -10.961  17.684
  477   1HD1  LEU  60          1HD1      LEU  60  -7.504 -11.862  15.586
  478   2HD1  LEU  60          3HD1      LEU  60  -5.887 -12.532  15.802
  479   3HD1  LEU  60          2HD1      LEU  60  -7.098 -12.728  17.068
  480   1HD2  LEU  60          3HD2      LEU  60  -6.476  -9.540  15.186
  481   2HD2  LEU  60          2HD2      LEU  60  -5.271  -8.952  16.332
  482   3HD2  LEU  60          1HD2      LEU  60  -4.916 -10.354  15.322
  483    H    CYS  61           HN       CYS  61 -10.297  -9.933  18.658
  484    HA   CYS  61           HA       CYS  61 -10.103  -7.955  20.736
  485   1HB   CYS  61          2HB       CYS  61 -12.363  -9.338  19.272
  486   2HB   CYS  61          1HB       CYS  61 -12.653  -8.050  20.442
  487    H    LYS  62           HN       LYS  62 -10.899 -11.371  20.738
  488    HA   LYS  62           HA       LYS  62 -11.906 -11.229  23.535
  489   1HB   LYS  62          2HB       LYS  62 -11.719 -13.451  21.474
  490   2HB   LYS  62          1HB       LYS  62 -12.478 -13.614  23.059
  491   1HG   LYS  62          2HG       LYS  62 -14.029 -11.751  22.464
  492   2HG   LYS  62          1HG       LYS  62 -13.311 -11.704  20.853
  493   1HD   LYS  62          2HD       LYS  62 -13.946 -14.104  20.549
  494   2HD   LYS  62          1HD       LYS  62 -14.764 -14.051  22.112
  495   1HE   LYS  62          2HE       LYS  62 -15.944 -11.915  21.016
  496   2HE   LYS  62          1HE       LYS  62 -15.552 -12.781  19.518
  497   1HZ   LYS  62          2HZ       LYS  62 -16.389 -14.803  20.983
  498   2HZ   LYS  62          1HZ       LYS  62 -17.296 -13.578  21.733
  499   3HZ   LYS  62          3HZ       LYS  62 -17.468 -13.861  20.070
  500    H    GLU  63           HN       GLU  63  -8.940 -11.441  22.063
  501    HA   GLU  63           HA       GLU  63  -7.865 -13.371  24.086
  502   1HB   GLU  63          2HB       GLU  63  -6.219 -13.878  22.511
  503   2HB   GLU  63          1HB       GLU  63  -7.582 -13.488  21.464
  504   1HG   GLU  63          2HG       GLU  63  -6.740 -11.174  21.241
  505   2HG   GLU  63          1HG       GLU  63  -5.373 -11.575  22.279
  506    HA   PRO  64           HA       PRO  64  -6.171  -9.992  26.358
  507   1HB   PRO  64          2HB       PRO  64  -3.981 -11.628  27.249
  508   2HB   PRO  64          1HB       PRO  64  -5.446 -11.193  28.133
  509   1HG   PRO  64          2HG       PRO  64  -4.748 -13.749  27.035
  510   2HG   PRO  64          1HG       PRO  64  -6.223 -13.308  27.898
  511   1HD   PRO  64          2HD       PRO  64  -5.908 -13.858  25.075
  512   2HD   PRO  64          1HD       PRO  64  -7.401 -13.447  25.951
  513    H    ASN  65           HN       ASN  65  -4.330 -11.831  24.017
  514    HA   ASN  65           HA       ASN  65  -1.975 -10.105  24.074
  515   1HB   ASN  65          2HB       ASN  65  -2.991 -12.107  22.031
  516   2HB   ASN  65          1HB       ASN  65  -1.344 -11.486  22.136
  517   1HD2  ASN  65          1HD2      ASN  65  -2.630 -14.298  22.630
  518   2HD2  ASN  65          2HD2      ASN  65  -1.970 -14.765  24.122
  519    H    ALA  66           HN       ALA  66  -5.111  -9.801  22.718
  520    HA   ALA  66           HA       ALA  66  -4.767  -8.565  20.239
  521   1HB   ALA  66          2HB       ALA  66  -6.753  -8.886  22.171
  522   2HB   ALA  66          3HB       ALA  66  -6.965  -8.138  20.589
  523   3HB   ALA  66          1HB       ALA  66  -6.616  -7.137  21.998
  524    H    GLN  67           HN       GLN  67  -4.084  -7.269  23.460
  525    HA   GLN  67           HA       GLN  67  -3.763  -4.515  22.774
  526   1HB   GLN  67          2HB       GLN  67  -2.499  -6.318  24.859
  527   2HB   GLN  67          1HB       GLN  67  -2.325  -4.563  24.862
  528   1HG   GLN  67          2HG       GLN  67  -4.791  -4.333  24.955
  529   2HG   GLN  67          1HG       GLN  67  -4.946  -6.089  24.988
  530   1HE2  GLN  67          1HE2      GLN  67  -5.887  -4.412  27.147
  531   2HE2  GLN  67          2HE2      GLN  67  -4.947  -4.753  28.518
  532    H    GLU  68           HN       GLU  68  -1.519  -7.275  22.641
  533    HA   GLU  68           HA       GLU  68   0.744  -5.620  21.779
  534   1HB   GLU  68          2HB       GLU  68   0.208  -8.607  21.901
  535   2HB   GLU  68          1HB       GLU  68   1.776  -7.899  21.509
  536   1HG   GLU  68          2HG       GLU  68   1.759  -6.715  23.697
  537   2HG   GLU  68          1HG       GLU  68   0.229  -7.501  24.089
  538    H    ILE  69           HN       ILE  69  -1.555  -7.897  20.281
  539    HA   ILE  69           HA       ILE  69  -0.447  -7.779  17.624
  540    HB   ILE  69           HB       ILE  69  -3.227  -8.380  18.692
  541   1HG1  ILE  69          2HG1      ILE  69  -0.924 -10.195  17.919
  542   2HG1  ILE  69          1HG1      ILE  69  -1.448  -9.850  19.567
  543   1HG2  ILE  69          3HG2      ILE  69  -1.977  -8.686  15.961
  544   2HG2  ILE  69          2HG2      ILE  69  -3.314  -9.717  16.476
  545   3HG2  ILE  69          1HG2      ILE  69  -3.533  -7.969  16.383
  546   1HD1  ILE  69          3HD1      ILE  69  -3.758 -10.705  18.848
  547   2HD1  ILE  69          2HD1      ILE  69  -2.962 -11.325  17.402
  548   3HD1  ILE  69          1HD1      ILE  69  -2.488 -11.920  18.993
  549    H    LEU  70           HN       LEU  70  -3.225  -6.109  19.143
  550    HA   LEU  70           HA       LEU  70  -4.222  -4.564  17.097
  551   1HB   LEU  70          2HB       LEU  70  -5.101  -4.468  19.330
  552   2HB   LEU  70          1HB       LEU  70  -3.568  -3.894  19.978
  553    HG   LEU  70           HG       LEU  70  -5.543  -2.197  19.533
  554   1HD1  LEU  70          3HD1      LEU  70  -2.918  -1.923  20.027
  555   2HD1  LEU  70          2HD1      LEU  70  -2.962  -1.229  18.407
  556   3HD1  LEU  70          1HD1      LEU  70  -3.959  -0.540  19.688
  557   1HD2  LEU  70          2HD2      LEU  70  -5.293  -3.140  16.986
  558   2HD2  LEU  70          1HD2      LEU  70  -5.928  -1.545  17.385
  559   3HD2  LEU  70          3HD2      LEU  70  -4.238  -1.730  16.923
  560    H    GLN  71           HN       GLN  71  -1.688  -3.231  19.259
  561    HA   GLN  71           HA       GLN  71  -0.920  -1.018  17.778
  562   1HB   GLN  71          2HB       GLN  71   0.797  -3.011  19.285
  563   2HB   GLN  71          1HB       GLN  71   1.318  -1.385  18.842
  564   1HG   GLN  71          2HG       GLN  71  -0.573  -0.441  20.139
  565   2HG   GLN  71          1HG       GLN  71  -1.056  -2.071  20.607
  566   1HE2  GLN  71          1HE2      GLN  71  -0.367  -0.256  22.642
  567   2HE2  GLN  71          2HE2      GLN  71   1.123  -0.703  23.323
  568    H    ARG  72           HN       ARG  72   0.479  -4.280  17.425
  569    HA   ARG  72           HA       ARG  72   2.155  -3.676  15.186
  570   1HB   ARG  72          2HB       ARG  72   0.841  -6.235  16.158
  571   2HB   ARG  72          1HB       ARG  72   2.129  -6.182  14.954
  572   1HG   ARG  72          2HG       ARG  72   3.568  -4.990  16.622
  573   2HG   ARG  72          1HG       ARG  72   2.294  -5.206  17.822
  574   1HD   ARG  72          2HD       ARG  72   2.445  -7.693  17.445
  575   2HD   ARG  72          1HD       ARG  72   3.846  -7.399  16.399
  576    HE   ARG  72           HE       ARG  72   3.935  -6.167  19.092
  577   1HH1  ARG  72          1HH1      ARG  72   4.025  -9.298  18.896
  578   2HH1  ARG  72          2HH1      ARG  72   5.738  -9.543  18.993
  579   1HH2  ARG  72          1HH2      ARG  72   6.517  -6.219  18.391
  580   2HH2  ARG  72          2HH2      ARG  72   7.146  -7.801  18.708
  581    H    LEU  73           HN       LEU  73  -1.078  -5.230  15.296
  582    HA   LEU  73           HA       LEU  73  -1.559  -5.658  12.592
  583   1HB   LEU  73          2HB       LEU  73  -3.010  -6.028  14.698
  584   2HB   LEU  73          1HB       LEU  73  -3.574  -4.376  14.449
  585    HG   LEU  73           HG       LEU  73  -4.420  -4.928  12.252
  586   1HD1  LEU  73          2HD1      LEU  73  -2.661  -7.274  12.627
  587   2HD1  LEU  73          1HD1      LEU  73  -4.208  -7.624  11.857
  588   3HD1  LEU  73          3HD1      LEU  73  -3.118  -6.436  11.143
  589   1HD2  LEU  73          3HD2      LEU  73  -5.244  -6.339  14.646
  590   2HD2  LEU  73          2HD2      LEU  73  -6.241  -5.665  13.358
  591   3HD2  LEU  73          1HD2      LEU  73  -5.596  -7.299  13.209
  592    H    GLU  74           HN       GLU  74  -2.500  -2.643  14.309
  593    HA   GLU  74           HA       GLU  74  -3.214  -1.085  12.091
  594   1HB   GLU  74          2HB       GLU  74  -1.646  -0.170  14.522
  595   2HB   GLU  74          1HB       GLU  74  -2.774   0.792  13.568
  596   1HG   GLU  74          2HG       GLU  74  -4.551  -0.943  14.198
  597   2HG   GLU  74          1HG       GLU  74  -3.394  -1.538  15.388
  598    H    GLU  75           HN       GLU  75   0.045  -1.369  13.576
  599    HA   GLU  75           HA       GLU  75   1.481   0.345  11.889
  600   1HB   GLU  75          2HB       GLU  75   2.264  -0.884  13.930
  601   2HB   GLU  75          1HB       GLU  75   2.337  -2.360  12.968
  602   1HG   GLU  75          2HG       GLU  75   3.929  -1.225  11.417
  603   2HG   GLU  75          1HG       GLU  75   3.908   0.188  12.473
  604    H    ILE  76           HN       ILE  76   1.042  -3.191  11.419
  605    HA   ILE  76           HA       ILE  76   2.273  -3.363   8.868
  606    HB   ILE  76           HB       ILE  76  -0.078  -4.903  10.023
  607   1HG1  ILE  76          2HG1      ILE  76   1.722  -4.954  11.606
  608   2HG1  ILE  76          1HG1      ILE  76   1.793  -6.481  10.726
  609   1HG2  ILE  76          1HG2      ILE  76   0.785  -5.083   7.485
  610   2HG2  ILE  76          3HG2      ILE  76   1.977  -6.136   8.247
  611   3HG2  ILE  76          2HG2      ILE  76   0.258  -6.499   8.395
  612   1HD1  ILE  76          1HD1      ILE  76   3.476  -5.395   9.176
  613   2HD1  ILE  76          3HD1      ILE  76   3.514  -4.026  10.287
  614   3HD1  ILE  76          2HD1      ILE  76   4.041  -5.619  10.832
  615    H    ALA  77           HN       ALA  77  -1.069  -2.585   9.787
  616    HA   ALA  77           HA       ALA  77  -2.285  -2.559   7.230
  617   1HB   ALA  77          3HB       ALA  77  -2.856  -1.827   9.895
  618   2HB   ALA  77          1HB       ALA  77  -3.997  -1.881   8.551
  619   3HB   ALA  77          2HB       ALA  77  -3.157  -0.379   8.936
  620    H    GLU  78           HN       GLU  78  -0.247  -0.165   8.848
  621    HA   GLU  78           HA       GLU  78  -0.656   2.031   7.068
  622   1HB   GLU  78          2HB       GLU  78   0.450   2.021   9.326
  623   2HB   GLU  78          1HB       GLU  78   1.838   1.216   8.595
  624   1HG   GLU  78          2HG       GLU  78   2.076   3.133   7.018
  625   2HG   GLU  78          1HG       GLU  78   0.745   3.945   7.844
  626    H    ASP  79           HN       ASP  79   1.726  -0.646   7.002
  627    HA   ASP  79           HA       ASP  79   2.010  -0.255   4.076
  628   1HB   ASP  79          2HB       ASP  79   4.413   0.062   4.241
  629   2HB   ASP  79          1HB       ASP  79   3.636   1.249   5.288
  630    HA   PRO  80           HA       PRO  80   2.411  -4.621   3.983
  631   1HB   PRO  80          2HB       PRO  80   4.629  -4.598   2.153
  632   2HB   PRO  80          1HB       PRO  80   2.922  -4.866   1.789
  633   1HG   PRO  80          2HG       PRO  80   4.523  -2.549   1.189
  634   2HG   PRO  80          1HG       PRO  80   2.828  -2.837   0.786
  635   1HD   PRO  80          2HD       PRO  80   3.881  -1.010   2.743
  636   2HD   PRO  80          1HD       PRO  80   2.171  -1.349   2.383
  637    H    GLY  81           HN       GLY  81   5.674  -3.100   3.814
  638   1HA   GLY  81          1HA       GLY  81   6.470  -4.249   6.349
  639   2HA   GLY  81          2HA       GLY  81   7.535  -3.422   5.212
  640    H    THR  82           HN       THR  82   7.671  -6.102   6.722
  641    HA   THR  82           HA       THR  82   8.912  -7.599   4.525
  642    HB   THR  82           HB       THR  82   9.481  -9.126   6.443
  643    HG1  THR  82          1HG       THR  82   7.413  -8.345   7.519
  644   1HG2  THR  82          3HG2      THR  82  10.838  -7.096   5.841
  645   2HG2  THR  82          2HG2      THR  82   9.942  -6.199   7.066
  646   3HG2  THR  82          1HG2      THR  82  10.961  -7.558   7.539
  647    H    CYS  83           HN       CYS  83   5.858  -7.588   6.185
  648    HA   CYS  83           HA       CYS  83   5.035 -10.291   5.893
  649   1HB   CYS  83          2HB       CYS  83   3.919  -8.357   7.112
  650   2HB   CYS  83          1HB       CYS  83   3.335  -7.805   5.542
  651    H    GLU  84           HN       GLU  84   4.703  -7.548   3.617
  652    HA   GLU  84           HA       GLU  84   3.353  -8.958   1.544
  653   1HB   GLU  84          2HB       GLU  84   3.615  -6.495   1.804
  654   2HB   GLU  84          1HB       GLU  84   5.318  -6.654   1.375
  655   1HG   GLU  84          2HG       GLU  84   4.602  -7.714  -0.790
  656   2HG   GLU  84          1HG       GLU  84   2.932  -7.341  -0.366
  657    H    ILE  85           HN       ILE  85   6.799  -8.809   2.372
  658    HA   ILE  85           HA       ILE  85   7.487 -10.217  -0.159
  659    HB   ILE  85           HB       ILE  85   9.722  -9.563   0.356
  660   1HG1  ILE  85          2HG1      ILE  85   8.681  -9.190   3.171
  661   2HG1  ILE  85          1HG1      ILE  85   9.929 -10.310   2.625
  662   1HG2  ILE  85          2HG2      ILE  85   7.789  -7.455   1.360
  663   2HG2  ILE  85          1HG2      ILE  85   9.476  -7.141   0.956
  664   3HG2  ILE  85          3HG2      ILE  85   8.351  -7.665  -0.298
  665   1HD1  ILE  85          2HD1      ILE  85  11.060  -8.042   1.779
  666   2HD1  ILE  85          1HD1      ILE  85  10.085  -7.361   3.081
  667   3HD1  ILE  85          3HD1      ILE  85  11.276  -8.615   3.433
  668    H    CYS  86           HN       CYS  86   6.294 -11.180   2.714
  669    HA   CYS  86           HA       CYS  86   6.259 -13.304   3.758
  670   1HB   CYS  86          2HB       CYS  86   6.932 -13.678   1.103
  671   2HB   CYS  86          1HB       CYS  86   8.251 -14.486   1.948
  672    H    ALA  87           HN       ALA  87   8.799 -11.244   3.706
  673    HA   ALA  87           HA       ALA  87  11.009 -12.811   4.672
  674   1HB   ALA  87          1HB       ALA  87  10.146  -9.918   4.881
  675   2HB   ALA  87          3HB       ALA  87  11.662 -10.486   5.581
  676   3HB   ALA  87          2HB       ALA  87  11.393 -10.608   3.842
  677    H    TYR  88           HN       TYR  88   8.049 -11.796   6.130
  678    HA   TYR  88           HA       TYR  88   9.071 -12.668   8.815
  679   1HB   TYR  88          2HB       TYR  88   8.227 -10.141   7.991
  680   2HB   TYR  88          1HB       TYR  88   6.814 -10.806   8.811
  681    HD1  TYR  88           HD1      TYR  88  10.518 -10.403   9.219
  682    HD2  TYR  88           HD2      TYR  88   6.698 -10.760  11.150
  683    HE1  TYR  88           HE1      TYR  88  11.586  -9.963  11.413
  684    HE2  TYR  88           HE2      TYR  88   7.766 -10.321  13.345
  685    HH   TYR  88           HH       TYR  88  10.290  -8.925  13.912
  686    H    ALA  89           HN       ALA  89   7.415 -13.693  10.161
  687    HA   ALA  89           HA       ALA  89   5.636 -15.447   8.694
  688   1HB   ALA  89          1HB       ALA  89   6.565 -16.281  10.694
  689   2HB   ALA  89          2HB       ALA  89   4.913 -15.893  11.168
  690   3HB   ALA  89          3HB       ALA  89   6.229 -14.792  11.577
  691    H    ALA  90           HN       ALA  90   5.330 -12.213   9.414
  692    HA   ALA  90           HA       ALA  90   2.672 -11.946  10.418
  693   1HB   ALA  90          2HB       ALA  90   4.581 -10.290   8.785
  694   2HB   ALA  90          1HB       ALA  90   2.952  -9.696   9.101
  695   3HB   ALA  90          3HB       ALA  90   4.040 -10.039  10.445
  696    H    CYS  91           HN       CYS  91   3.909 -12.459   7.135
  697    HA   CYS  91           HA       CYS  91   1.109 -12.337   6.085
  698   1HB   CYS  91          2HB       CYS  91   3.783 -11.604   5.169
  699   2HB   CYS  91          1HB       CYS  91   2.884 -12.522   3.962
  700    H    THR  92           HN       THR  92   0.215 -14.382   6.082
  701    HA   THR  92           HA       THR  92   1.974 -16.719   5.501
  702    HB   THR  92           HB       THR  92   0.234 -17.975   6.583
  703    HG1  THR  92          1HG       THR  92  -1.675 -17.308   5.978
  704   1HG2  THR  92          2HG2      THR  92   1.667 -16.520   8.030
  705   2HG2  THR  92          1HG2      THR  92   0.410 -15.284   7.965
  706   3HG2  THR  92          3HG2      THR  92   0.079 -16.840   8.729
  707    H    GLY  93           HN       GLY  93   0.728 -18.492   4.185
  708   1HA   GLY  93          1HA       GLY  93  -1.018 -17.338   2.087
  709   2HA   GLY  93          2HA       GLY  93  -0.710 -19.057   2.340
  710    H    CYS  94           HN       CYS  94   2.086 -17.111   2.492
  711    HA   CYS  94           HA       CYS  94   2.869 -16.674  -0.157
  712   1HB   CYS  94          2HB       CYS  94   4.082 -17.061   2.476
  713   2HB   CYS  94          1HB       CYS  94   5.150 -17.571   1.170

  No H/Q in entry =         713