*HEADER   METAL-BINDING PROTEIN                   23-DEC-95   1IML    
*TITLE    CYSTEINE RICH INTESTINAL PROTEIN, NMR, 48 STRUCTURES        
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: CYSTEINE RICH INTESTINAL PROTEIN;                
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: CRIP;                                             
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: RATTUS RATTUS;                        
*SOURCE  3 ORGANISM_COMMON: RAT;                                      
*SOURCE  4 ORGAN: SMALL INTESTINE;                                    
*SOURCE  5 TISSUE: SMOOTH MUSCLE;                                     
*SOURCE  6 CELL: SMOOTH MUSCLE CELLS;                                 
*SOURCE  7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                       
*SOURCE  8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                       
*SOURCE  9 EXPRESSION_SYSTEM_PLASMID: PET-3A NOVAGEN;                 
*SOURCE 10 EXPRESSION_SYSTEM_GENE: CRIP                               
*KEYWDS   METAL-BINDING PROTEIN, LIM DOMAIN PROTEIN                   
*EXPDTA   NMR, 48 STRUCTURES                                          
*AUTHOR   G.C.PEREZ-ALVARADO,J.L.KOSA,H.A.LOUIS,M.C.BECKERLE,         
*AUTHOR  2 D.R.WINGE,M.F.SUMMERS                                      
*REVDAT  1   11-JUL-96 1IML    0                                      


Experimental Restraints for the NMR Structures of the 
LIM Only protein Cysteine Rich Intestinal Protein, CRIP


The solution NMR 3D structure of the Cysteine Rich Intestinal Protein,
CRIP, is based on 500 distance restraints derived 
from the NOE data and 17 metal restraints. Hydrogen bond distance restraints
were not used for generation and refinement of the last 12 MODELS (MODEL 37-48).
A complete list of experimental restraints follows:

List of residues with corresponding numbering in the sequence
of the  48 MODELS:

	1  PKCPKCDKEV YFAERVTSLG
        21 KDWHRPCLKC EKCGKTLTSG
        41 GHAEHEGKPY CNHPCYSAMP
        61 GPKGFGRGGA ESHTFK

Pro-1  Lys-2  Cys-3  Pro-4  Lys-5  Cys-6  Asp-7  Lys-8  Glu-9  Val-10
Tyr-11 Phe-12 Ala-13 Glu-14 Arg-15 Val-16 Thr-17 Ser-18 Leu-19 Gly-20
Lys-21 Asp-22 Trp-23 His-24 Arg-25 Pro-26 Cys-27 Leu-28 Lys-29 Cys-30
Glu-31 Lys-32 Cys-33 Gly-34 Lys-35 Thr-36 Leu-37 Thr-38 Ser-39 Gly-40
Gly-41 His-42 Ala-43 Glu-44 His-45 Glu-46 Gly-47 Lys-48 Pro-49 Tyr-50
Cys-51 Asn-52 His-53 Pro-54 Cys-55 Tyr-56 Ser-57 Ala-58 Met-59 Phe-60
Gly-61 Pro-62 Lys-63 Gly-64 Phe-65 Gly-66 Arg-67 Gly-68 Gly-69 Ala-70
Glu-71 Ser-72 His-73 Thr-74 Phe-75 Lys-76

NOE Interproton distance restraints. Distances are in Angstroms (A)

Strong 1.8 - 2.7 A
Medium 1.8 - 3.3 A
Weak   1.8 - 5.0 A

Restraints to dummy atoms:

   + 0.5 for -CH3
   + 2.13 for cg-cd-hd of Tyr and Phe 
   + 2.13 for cz-ce-he of Tyr
   + 2.14 for cz-ce-he of Phe


Metal restraints used to enforce Zn-S and Zn-N bond distances,
and to ensure proper hybridization of the His-Nd and Cys-Sg atoms
(distances in A)

LB= Lower Bound
UB= Upper Bound


ATOM 1  ATOM 2  distance

zn[77]  sg[3]    2.3
zn[77]  sg[6] 	 2.3
zn[77]  sg[27] 	 2.3
zn[77]  cb[3]    3.3581
zn[77]  cb[6]    3.3581
zn[77]  cb[27]   3.3581
zn[77]  nd1[24]  2.0
zn[78]  sg[30]   2.3
zn[78]  sg[33]   2.3
zn[78]  sg[51]   2.3
zn[78]  sg[55]   2.3
zn[78]  cb[30]   3.3581
zn[78]  cb[33]   3.3581
zn[78]  cb[51]   3.3581
zn[78]  cb[55]   3.3581

ATOM 1  ATOM 2   LB    UB

zn[77]  ne2[24]  4.13  #
zn[77]  cd2[24]  4.13  #

_________H-BOND RESTRAINTS___________

----------NH-S HBONDS--------------

ATOM 1  ATOM 2   LB    UB

hn[5]   sg[3]    #     3.2  
hn[6]   sg[3]    #     3.2  
hn[32]  sg[30]   #     3.2 
hn[33]  sg[30]   #     3.2
hn[35]  sg[33]   #     3.2
hn[51]  sg[30]   #     3.2

----------NH-O HBONDS--------------

ATOM 1  ATOM 2   LB    UB

hn[3]   o[8]     #     2.2 
hn[7]   o[3]     #     2.2
hn[10]  o[1]     #     2.2
hn[15]  o[12]    #     2.2
hn[14]  o[11]    #     2.2
hn[16]  o[23]    #     2.2
hn[23]  o[16]    #     2.2
hn[18]  o[21]    #     2.2 
hn[21]  o[18]    #     2.2
hn[37]  o[28]    #     2.2 
hn[30]  o[35]    #     2.2
hn[34]  o[30]    #     2.2
hn[52]  o[41]    #     2.2
hn[43]  o[50]    #     2.2
hn[50]  o[43]    #     2.2
hn[45]  o[48]    #     2.2
hn[48]  o[45]    #     2.2
hn[56]  o[51]    #     2.2
hn[58]  o[54]    #     2.2
hn[59]  o[55]    #     2.2
hn[60]  o[56]    #     2.2




__________ NOE RESTRAINTS_____________

       Strong 1.8 - 2.7
       Medium 1.8 - 3.3
       Weak   1.8 - 5.0
                   +0.5 for methyls
     
       LB= Lower Bound
       UB= Upper Bound

ATOM 1   ATOM 2    LB  UB

hn[3]    ha[2]     1.8 2.7 
hdr[4]   ha[3]     1.8 2.7
hds[4]   ha[3]     1.8 2.7
hn[9]    ha[8]     1.8 2.7
hn[10]   ha[9]     1.8 2.7
hn[11]   ha[10]    1.8 2.7
hn[12]   ha[11]    1.8 2.7 
hn[14]   ha[13]    1.8 3.3 
hn[16]   ha[15]    1.8 2.7
hn[17]   ha[16]    1.8 2.7
hn[18]   ha[17]    1.8 2.7
hn[19]   ha[18]    1.8 2.7  
hn[22]   ha[21]    1.8 2.7
hn[23]   ha[22]    1.8 2.7 
hn[24]   ha[23]    1.8 2.7
hn[25]   ha[24]    1.8 2.7
hn[29]   ha[28]    1.8 2.7
hn[30]   ha[29]    1.8 2.7
hn[31]   ha[30]    1.8 2.7 
hn[33]   har[34]   1.8 5.0 
hn[36]   ha[35]    1.8 2.7
hn[37]   ha[36]    1.8 2.7
hn[38]   ha[37]    1.8 2.7
hn[43]   ha[42]    1.8 2.7
hn[44]   ha[43]    1.8 2.7 
hn[45]   ha[44]    1.8 2.7
hn[47]   ha[46]    1.8 3.3
hds[49]  ha[48]    1.8 2.7
hdr[49]  ha[48]    1.8 2.7
hn[50]   ha[49]    1.8 2.7
hn[52]   ha[51]    1.8 2.7
hn[53]   ha[52]    1.8 5.0
ha[54]   ha[53]    1.8 2.7
hn[61]   ha[60]    1.8 3.3
hds[4]   hn[5]     1.8 3.3
hn[5]    hn[6]     1.8 2.7
hn[6]    hn[7]     1.8 2.7
hn[7]    hn[8]     1.8 2.7 
hn[12]   hn[11]    1.8 5.0
hn[13]   hn[12]    1.8 5.0
hn[13]   hn[14]    1.8 5.0  
hn[14]   hn[15]    1.8 2.7
hn[15]   hn[16]    1.8 5.0
hn[19]   hn[20]    1.8 3.3
hn[20]   hn[21]    1.8 2.7 
hn[24]   hn[25]    1.8 5.0
hds[26]  hn[25]    1.8 2.7 
hds[26]  hn[27]    1.8 2.7 
hn[27]   hn[28]    1.8 3.3
hn[31]   hn[32]    1.8 3.3
hn[32]   hn[33]    1.8 2.7
hn[33]   hn[34]    1.8 2.7
hn[34]   hn[35]    1.8 2.7
hn[42]   hn[41]    1.8 5.0 
hn[47]   hn[48]    1.8 2.7 
hn[52]   hn[53]    1.8 3.3 
hn[55]   ha[54]    1.8 5.0 
hn[55]   hds[54]   1.8 3.3
hn[55]   hn[56]    1.8 3.3  
hn[56]   hn[57]    1.8 2.7
hn[57]   hn[58]    1.8 2.7 
hn[59]   hn[58]    1.8 2.7
hn[60]   hn[59]    1.8 2.7
ha[9]    ha[2]     1.8 2.7
ha[17]   ha[22]    1.8 2.7 
ha[29]   ha[36]    1.8 2.7 
ha[44]   ha[49]    1.8 2.7
ha[42]   ha[51]    1.8 3.3 
ha[24]   ha[15]    1.8 3.3 
ha[30]   ha[50]    1.8 2.7
ha[3]    ha[23]    1.8 3.3
ha[5]    ha[48]    1.8 5.0
ha[2]    mgs[10]   1.8 3.8
hn[3]    ha[7]     1.8 5.0
hn[3]    ha[9]     1.8 5.0
hn[3]    hn[8]     1.8 5.0   
hn[3]    hn[7]     1.8 5.0
hn[3]    hn[10]    1.8 5.0
hn[3]    hbr[3]    1.8 2.7 
hn[3]    hbs[3]    1.8 2.7
ha[3]    mgs[10]   1.8 3.8
hn[3]    mgs[10]   1.8 3.8
hn[3]    hbr[8]    1.8 5.0
hn[5]    hn[7]     1.8 5.0
hn[5]    hbr[3]    1.8 5.0 
hn[5]    hds[4]    1.8 3.3
hn[5]    hbr[4]    1.8 5.0
hn[5]    hgs[4]    1.8 5.0
hn[6]    hn[8]     1.8 5.0
hn[6]    hbr[3]    1.8 3.3
hn[6]    hbr[5]    1.8 3.3
hn[6]    hbs[5]    1.8 3.3
ha[6]    hbr[7]    1.8 5.0
hn[7]    hbr[6]    1.8 5.0
hn[7]    hbr[5]    1.8 5.0
hn[7]    hbs[5]    1.8 5.0
hn[7]    hbr[3]    1.8 3.3
hn[8]    hbr[3]    1.8 3.3
hn[8]    hbs[7]    1.8 5.0
hn[9]    he1[24]   1.8 5.0
hn[10]   ha[2]     1.8 3.3
hn[10]   hbr[9]    1.8 3.3 
hn[10]   hb[10]    1.8 2.7
hn[10]   mgs[10]   1.8 3.8
hn[10]   hbs[9]    1.8 3.3
mgr[10]  ha[24]    1.8 3.8
mgr[10]  ha[15]    1.8 3.2
mgs[10]  ha[23]    1.8 3.8
mgs[10]  hn[24]    1.8 3.8
mgs[10]  hbs[24]   1.8 5.5
mgs[10]  hbs[3]    1.8 3.8
hn[11]   hn[14]    1.8 5.0
hn[11]   hbr[11]   1.8 2.7
hn[11]   cz[11]    1.8 7.1
hn[11]   hd2[24]   1.8 5.0
hn[11]   mgr[10]   1.8 3.8
hn[11]   hbr[14]   1.8 5.0
hn[12]   mb[13]    1.8 6.5
hn[13]   hn[15]    1.8 5.0
hn[13]   mb[13]    1.8 3.2
hn[13]   ha[13]    1.8 2.7
hn[15]   ha[13]    1.8 3.3
hn[13]   hbs[12]   1.8 3.3
hn[14]   mb[13]    1.8 3.8
hn[15]   mgr[16]   1.8 5.5
hn[16]   ha[24]    1.8 5.0
hn[16]   hn[25]    1.8 5.0 
hn[16]   mgr[10]   1.8 3.8
hn[16]   hbr[15]   1.8 3.3
hn[16]   hbr[23]   1.8 5.0
mgs[16]  mds[28]   1.8 3.8
mgs[16]  mdr[28]   1.8 3.8
mgs[16]  hbr[23]   1.8 5.5
hn[17]   hb[17]    1.8 3.2
hn[17]   hb[16]    1.8 3.3
ha[17]   mgs[16]   1.8 5.5
ha[17]   hbr[22]   1.8 5.0
hn[18]   ha[22]    1.8 5.0
hn[18]   hn[21]    1.8 3.3
hn[18]   mg2[17]   1.8 3.2
ha[18]   mg2[17]   1.8 5.5
hbr[18]  mds[28]   1.8 5.5
hbs[18]  mds[28]   1.8 5.5
hbr[18]  mgs[16]   1.8 5.5
hbs[18]  mgs[16]   1.8 5.5
hn[19]   mdr[19]   1.8 3.8
hn[19]   hbs[18]   1.8 5.0
hn[19]   he1[23]   1.8 5.0
ha[19]   mdr[19]   1.8 3.2
har[20]  mg2[17]   1.8 5.5 
hn[21]   mg2[17]   1.8 5.5
hn[21]   hbr[19]   1.8 5.0
hn[22]   hbs[22]   1.8 2.7
hn[22]   he1[23]   1.8 6.0
hn[22]   mg2[17]   1.8 5.5
ha[22]   hbr[22]   1.8 2.7
ha[22]   mg2[17]   1.8 5.5
hbr[22]  mgr[10]   1.8 3.8
hbs[22]  mgr[10]   1.8 3.8
hn[23]   ha[17]    1.8 5.0
hn[23]   hn[16]    1.8 3.3
hn[23]   mgs[16]   1.8 5.5
hn[23]   hbs[22]   1.8 3.3 
hn[23]   mgr[10]   1.8 5.5
hn[23]   hbr[23]   1.8 2.7
ha[23]   he3[23]   1.8 5.0
ha[23]   hdr[4]    1.8 3.3
ha[23]   hds[4]    1.8 3.3
ha[23]   hbs[3]    1.8 5.0
hbr[23]  mds[28]   1.8 5.5
hbr[23]  mdr[28]   1.8 5.5
he3[23]  hbr[5]    1.8 3.3
he3[23]  hn[5]     1.8 3.3
he3[23]  hbs[23]   1.8 2.7 
he1[23]  hbs[18]   1.8 3.3
he1[23]  hn[21]    1.8 5.0
he1[23]  hn[18]    1.8 3.3
he1[23]  hgs[4]    1.8 5.0
he1[23]  hbr[19]   1.8 5.0
hd1[23]  hbr[23]   1.8 2.7
hd1[23]  hn[18]    1.8 3.3
hd1[23]  hn[23]    1.8 2.7
hd1[23]  ha[22]    1.8 2.7
hd1[23]  mgs[16]   1.8 5.5
hd1[23]  ha[17]    1.8 2.7
hd1[23]  mdr[28]   1.8 5.5
hd1[23]  mds[28]   1.8 5.5
hd1[23]  hn[16]    1.8 5.0
hh2[23]  mds[19]   1.8 5.5
hh2[23]  hbs[49]   1.8 5.0
hh2[23]  hgs[4]    1.8 5.0
hz3[23]  ha[48]    1.8 5.0
hz3[23]  hdr[49]   1.8 5.0
hz3[23]  hbs[23]   1.8 5.0
hz3[23]  hbr[5]    1.8 3.3
hz3[23]  hbs[49]   1.8 5.0
hz3[23]  hn[5]     1.8 3.3
hz2[23]  mds[19]   1.8 5.5
hz2[23]  mdr[28]   1.8 6.5
hz2[23]  hgs[4]    1.8 5.0
hn[24]   hn[27]    1.8 5.0
hn[24]   hn[28]    1.8 5.0
hn[24]   hbs[23]   1.8 2.7
hn[24]   hbs[27]   1.8 5.0
ha[24]   hds[26]   1.8 3.3
ha[24]   hbr[14]   1.8 5.0
hd2[24]  ha[24]    1.8 3.3
hd2[24]  hbr[24]   1.8 3.3
he1[24]  hbs[8]    1.8 2.7
he1[24]  hbr[3]    1.8 2.7
he1[24]  hbs[3]    1.8 2.7
he1[24]  ha[2]     1.8 5.0
he1[24]  mgs[10]   1.8 3.2
he1[24]  hn[7]     1.8 5.0
he1[24]  hn[8]     1.8 2.7
he1[24]  hn[3]     1.8 3.3
hd2[24]  hn[25]    1.8 5.0
hd2[24]  mgr[10]   1.8 3.2
hd2[24]  mgs[10]   1.8 3.2
he2[24]  ha[10]    1.8 3.3 
hn[25]   hn[27]    1.8 5.0
hn[25]   ha[15]    1.8 5.0
hn[25]   mgr[16]   1.8 5.5
hn[25]   mgr[10]   1.8 5.5
hn[25]   hbr[14]   1.8 3.3
hn[25]   hbr[24]   1.8 5.0
ha[25]   mgr[16]   1.8 3.8
ha[25]   mgs[16]   1.8 3.8
hn[27]   ha[25]    1.8 5.0
hn[27]   hbs[24]   1.8 3.3
hn[27]   hbr[24]   1.8 3.3
hn[27]   hbs[27]   1.8 2.7
hn[27]   hbr[26]   1.8 5.0
ha[27]   hbr[27]   1.8 2.7
hn[28]   ha[25]    1.8 5.0
hn[28]   mdr[28]   1.8 5.5
hn[28]   mds[28]   1.8 5.5
hn[28]   hbr[28]   1.8 2.7
hn[28]   hbs[28]   1.8 2.7
hn[28]   hbr[27]   1.8 3.3
hn[28]   hbs[27]   1.8 3.3
hn[28]   hbr[23]   1.8 5.0
ha[28]   mdr[37]   1.8 5.5
mdr[28]  mdr[37]   1.8 5.5
mds[28]  mdr[37]   1.8 5.5
hn[29]   ha[27]    1.8 5.0
hn[29]   mdr[28]   1.8 5.5
hn[29]   mdr[37]   1.8 5.5
hn[29]   hg[37]    1.8 5.0
ha[29]   hg[37]    1.8 3.3
ha[29]   mds[37]   1.8 5.5
ha[29]   mdr[37]   1.8 5.5
hn[30]   hn[34]    1.8 5.0
hn[30]   hn[35]    1.8 3.3
hn[30]   hn[37]    1.8 5.0
hn[30]   mdr[37]   1.8 3.8
hn[30]   hg[37]    1.8 3.3
hn[30]   har[34]   1.8 5.0
hn[31]   ha[50]    1.8 3.3
hn[31]   hn[33]    1.8 5.0
hn[31]   hbr[32]   1.8 5.0
hn[32]   ha[30]    1.8 5.0
hn[32]   ha[50]    1.8 5.0
hn[32]   hn[34]    1.8 5.0
hn[32]   hn[51]    1.8 5.0
hn[32]   hbr[33]   1.8 5.0
hn[33]   ha[30]    1.8 5.0
hn[33]   ha[31]    1.8 5.0
hn[33]   hn[35]    1.8 5.0
hn[33]   hn[51]    1.8 5.0
hn[33]   hbr[33]   1.8 3.3
hn[33]   hbr[30]   1.8 3.3
hn[33]   hbr[32]   1.8 3.3
hn[33]   hbs[32]   1.8 3.3
hn[34]   ha[30]    1.8 5.0
hn[34]   hbr[30]   1.8 2.7
hn[34]   hbr[33]   1.8 5.0
hn[34]   hbs[33]   1.8 5.0
hn[34]   hbr[32]   1.8 5.0
hn[35]   hbr[30]   1.8 2.7
hn[35]   mds[37]   1.8 5.5
hn[35]   hbs[33]   1.8 5.0
hn[36]   hn[30]    1.8 5.0
hn[36]   hb[36]    1.8 3.2
hn[37]   ha[29]    1.8 5.0
hn[37]   mg2[36]   1.8 3.2
hn[37]   hbs[28]   1.8 5.5
hn[37]   mds[37]   1.8 5.5
hn[37]   hg[37]    1.8 2.7
hn[37]   hb[36]    1.8 5.0
hn[37]   mds[28]   1.8 5.5
ha[37]   mds[37]   1.8 3.2
mdr[37]  hbs[42]   1.8 3.8 
mds[37]  hbr[42]   1.8 3.8 
hn[38]   hd2[42]   1.8 5.0
ha[38]   mds[28]   1.8 5.5
hn[39]   ha[38]    1.8 2.7
hn[39]   mg2[38]   1.8 3.2
hn[41]   mg2[38]   1.8 5.5
hn[41]   hd2[42]   1.8 5.0
hn[41]   har[40]   1.8 2.7
hn[41]   has[41]   1.8 2.7
he1[42]  mds[19]   1.8 3.8
he1[42]  mdr[28]   1.8 3.8
hd2[42]  mds[28]   1.8 3.8
hd2[42]  mdr[37]   1.8 5.5
hd2[42]  hbr[37]   1.8 5.0
hd2[42]  hbs[37]   1.8 5.0
he1[42]  hbr[49]   1.8 5.0
he1[42]  hbs[49]   1.8 5.0
he1[42]  hz2[23]   1.8 5.0
hd2[42]  ha[42]    1.8 5.0
hd2[42]  hbr[42]   1.8 3.3
hn[42]   hd2[42]   1.8 3.3
hn[42]   hbr[42]   1.8 2.7
hn[42]   mds[37]   1.8 5.5
hn[42]   har[40]   1.8 5.0
hn[42]   har[41]   1.8 3.3
ha[42]   ha[52]    1.8 5.0
ha[42]   mds[37]   1.8 5.5
ha[42]   mdr[37]   1.8 5.5
hd2[42]  hn[43]    1.8 5.0
hn[43]   ha[51]    1.8 5.0
hn[43]   ha[52]    1.8 5.0
hn[43]   hn[50]    1.8 5.0
hn[43]   hn[51]    1.8 5.0
hn[43]   mdr[37]   1.8 5.5
hn[43]   hbs[42]   1.8 2.7
hn[43]   hbr[50]   1.8 5.0
hn[43]   hbr[49]   1.8 5.0
mb[43]   hbr[56]   1.8 5.5
mb[43]   hbs[56]   1.8 5.5
hn[44]   mds[19]   1.8 5.5
hn[44]   mb[43]    1.8 3.2
ha[44]   mb[43]    1.8 5.5
ha[44]   hbr[49]   1.8 5.0
ha[44]   hbs[49]   1.8 5.0
hn[45]   ha[49]    1.8 5.0
hn[45]   hn[48]    1.8 3.3
hbs[45]  cz[60]    1.8 7.1
hbr[45]  cz[60]    1.8 7.1
hd2[45]  hn[45]    1.8 5.0
hd2[45]  hbr[45]   1.8 2.7
hd2[45]  cz[60]    1.8 5.4
hd2[45]  cg[60]    1.8 5.4
hd2[45]  hz[60]    1.8 3.3
hn[46]   hbs[45]   1.8 5.0
hn[47]   hbs[4]    1.8 5.0
hn[47]   hbr[4]    1.8 5.0
har[47]  hbr[4]    1.8 5.0
har[47]  hbs[4]    1.8 5.0
hn[48]   cz[50]    1.8 7.1
ha[49]   cg[50]    1.8 5.4
hbr[49]  mds[28]   1.8 5.5
hbs[49]  mds[28]   1.8 5.5
hbr[49]  mdr[37]   1.8 5.5
hn[50]   ha[44]    1.8 5.0
hn[50]   hbs[42]   1.8 5.0
hn[50]   hgs[49]   1.8 5.0
hn[50]   cg[56]    1.8 7.1
hn[50]   mb[43]    1.8 5.5
hn[50]   mdr[37]   1.8 5.5
hn[50]   hbr[49]   1.8 3.3
ha[50]   mdr[37]   1.8 5.5
ha[50]   cg[50]    1.8 5.4
cg[50]   ha[44]    1.8 5.4
cg[50]   hbs[50]   1.8 4.8
cg[50]   hbr[50]   1.8 4.8
cg[50]   mb[43]    1.8 7.6 
cg[50]   ha[56]    1.8 7.1
cg[50]   hbs[55]   1.8 7.1
cg[50]   hbr[56]   1.8 5.4
cg[50]   hn[50]    1.8 5.4
cg[50]   hn[56]    1.8 7.1
cg[50]   hn[45]    1.8 5.4
cg[50]   cz[60]    1.8 9.3
cg[50]   hn[32]    1.8 4.8
cz[50]   cz[60]    1.8 9.3
cz[50]   ha[48]    1.8 7.1
cz[50]   hbr[45]   1.8 5.4
cz[50]   hbr[48]   1.8 5.4
cz[50]   hn[45]    1.8 5.4
hn[51]   ha[30]    1.8 3.3
hn[51]   hn[56]    1.8 5.0
hn[51]   hn[31]    1.8 5.0
hn[51]   hbr[32]   1.8 5.0
hn[51]   mdr[37]   1.8 5.5 
hn[51]   mds[37]   1.8 5.5
hn[51]   hbs[55]   1.8 3.3
ha[51]   mds[37]   1.8 3.8
hn[52]   ha[42]    1.8 5.0
hn[52]   hbr[51]   1.8 3.3
hn[52]   mb[43]    1.8 5.5
hn[52]   hd2e[52]  1.8 5.0
ha[52]   hd2e[52]  1.8 5.0
hn[52]   hbr[52]   1.8 3.3   
hn[52]   hbs[52]   1.8 3.3   
ha[52]   mb[43]    1.8 3.8  
ha[52]   hbs[56]   1.8 3.3 
ha[52]   hbr[56]   1.8 3.3
hd2z[52] hbs[52]   1.8 5.0 
hd2z[52] hn[42]    1.8 5.0  
hd2z[52] har[41]   1.8 5.0 
hd2e[52] hbs[52]   1.8 5.0  
hd2e[52] mb[43]    1.8 5.5  
hn[53]   ha[51]    1.8 5.0
hn[53]   hn[55]    1.8 5.0
hn[53]   hbs[52]   1.8 5.0
hn[53]   hd2[53]   1.8 5.0
hn[53]   hbr[51]   1.8 3.3
hd2[53]  ha[53]    1.8 5.0
hd2[53]  ha[54]    1.8 5.0
hd2[53]  hbr[52]   1.8 5.0
hd2[53]  hbs[52]   1.8 5.0
hd2[53]  hbr[53]   1.8 2.7
he1[53]  hbs[53]   1.8 5.0
he1[53]  ha[54]    1.8 5.0
he1[53]  hbr[57]   1.8 5.0
ha[54]   hbs[53]   1.8 3.3
hn[55]   ha[53]    1.8 5.0
hn[55]   ha[51]    1.8 6.0
hn[55]   hn[58]    1.8 5.0
hn[55]   mb[58]    1.8 5.5
ha[55]   mb[58]    1.8 3.8
ha[55]   hbr[55]   1.8 2.7
hn[56]   ha[52]    1.8 5.0
hn[56]   ha[53]    1.8 5.0
hn[56]   hn[58]    1.8 5.0
hn[56]   hbs[50]   1.8 5.0
cg[56]   ha[56]    1.8 4.8
cg[56]   hbs[56]   1.8 4.8
cg[56]   hbr[56]   1.8 4.8
cg[56]   ha[44]    1.8 7.1
cg[56]   ha[57]    1.8 5.4
cg[56]   hbr[60]   1.8 7.1
cg[56]   cg[60]    1.8 7.5
cg[56]   hbr[50]   1.8 5.4
cg[56]   mb[43]    1.8 5.9
cg[56]   hn[56]    1.8 7.1
cg[56]   hn[57]    1.8 5.4
cg[56]   ha[52]    1.8 7.1
cz[56]   hbr[50]   1.8 7.1
cz[56]   mb[43]    1.8 5.9
cz[56]   hn[45]    1.8 7.1
cg[56]   cg[50]    1.8 7.6
hn[57]   ha[53]    1.8 5.0 
hn[57]   mb[58]    1.8 5.5
hn[57]   hbs[56]   1.8 2.7
hn[58]   hn[60]    1.8 5.0
hn[58]   ha[55]    1.8 5.0
hn[58]   ha[56]    1.8 5.0
hn[58]   hbr[57]   1.8 3.3
hn[58]   mb[58]    1.8 3.2
hn[59]   ha[56]    1.8 5.0 
hn[59]   mb[58]    1.8 3.2
hn[60]   ha[57]    1.8 5.0
hn[60]   ha[58]    1.8 5.0
hn[60]   cg[60]    1.8 5.4
hn[60]   hbr[60]   1.8 3.3
hn[60]   hbr[59]   1.8 3.3
cz[60]   hbr[59]   1.8 7.1
cz[60]   hbs[59]   1.8 7.1
cg[60]   ha[60]    1.8 4.8
cg[60]   ha[57]    1.8 7.1
cg[60]   hbr[60]   1.8 4.8
cg[60]   hbs[60]   1.8 4.8
cg[60]   hbr[59]   1.8 7.1
cg[60]   hbs[59]   1.8 7.1 
cg[60]   hn[60]    1.8 4.8 
cg[60]   hn[59]    1.8 7.1
cg[60]   ha[56]    1.8 5.4 
hn[61]   hbs[60]   1.8 5.0
hn[61]   hbr[60]   1.8 5.0
hn[61]   hn[59]    1.8 6.0 


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    PRO   1           HN       PRO   1  14.991   2.418   5.461
    2    HA   PRO   1           HA       PRO   1  13.987   3.890   3.716
    3   1HB   PRO   1           HBS      PRO   1  16.290   4.197   2.280
    4   2HB   PRO   1           HBR      PRO   1  15.370   5.401   2.914
    5   1HG   PRO   1           HGR      PRO   1  17.809   4.409   3.831
    6   2HG   PRO   1           HGS      PRO   1  17.036   5.828   4.247
    7   1HD   PRO   1           HDS      PRO   1  17.232   3.688   5.833
    8   2HD   PRO   1           HDR      PRO   1  16.139   4.913   6.034
    9    H    LYS   2           HN       LYS   2  13.011   1.868   3.613
   10    HA   LYS   2           HA       LYS   2  14.219   0.123   1.538
   11   1HB   LYS   2           HBR      LYS   2  14.914  -0.532   3.928
   12   2HB   LYS   2           HBS      LYS   2  13.205  -1.002   4.151
   13   1HG   LYS   2           HGS      LYS   2  14.102  -3.020   3.504
   14   2HG   LYS   2           HGR      LYS   2  13.636  -2.359   1.912
   15   1HD   LYS   2           HDS      LYS   2  15.833  -3.336   1.802
   16   2HD   LYS   2           HDR      LYS   2  15.904  -1.615   1.548
   17   1HE   LYS   2           HER      LYS   2  16.227  -2.277   4.346
   18   2HE   LYS   2           HES      LYS   2  17.450  -3.070   3.313
   19   1HZ   LYS   2           HZA      LYS   2  17.276  -0.529   2.388
   20   2HZ   LYS   2           HZB      LYS   2  17.198  -0.346   4.009
   21   3HZ   LYS   2           HZC      LYS   2  18.461  -1.130   3.337
   22    H    CYS   3           HN       CYS   3  12.764  -0.703   0.216
   23    HA   CYS   3           HA       CYS   3  10.169   0.361   0.379
   24   1HB   CYS   3           HBS      CYS   3  11.609   0.085  -1.636
   25   2HB   CYS   3           HBR      CYS   3  11.232  -1.661  -1.596
   26    HA   PRO   4           HA       PRO   4   8.076  -3.108   2.283
   27   1HB   PRO   4           HBR      PRO   4   5.729  -1.708   2.176
   28   2HB   PRO   4           HBS      PRO   4   6.643  -1.982   3.512
   29   1HG   PRO   4           HGS      PRO   4   6.256   0.393   2.348
   30   2HG   PRO   4           HGR      PRO   4   7.395   0.063   3.521
   31   1HD   PRO   4           HDS      PRO   4   7.760   0.317   0.728
   32   2HD   PRO   4           HDR      PRO   4   8.863   0.567   1.936
   33    H    LYS   5           HN       LYS   5   7.830  -1.717  -0.698
   34    HA   LYS   5           HA       LYS   5   5.515  -3.291  -1.614
   35   1HB   LYS   5           HBR      LYS   5   6.516  -0.874  -2.405
   36   2HB   LYS   5           HBS      LYS   5   7.241  -1.971  -3.615
   37   1HG   LYS   5           HGR      LYS   5   4.272  -1.815  -2.966
   38   2HG   LYS   5           HGS      LYS   5   5.065  -0.989  -4.339
   39   1HD   LYS   5           HDR      LYS   5   5.026  -2.770  -5.583
   40   2HD   LYS   5           HDS      LYS   5   5.794  -3.753  -4.368
   41   1HE   LYS   5           HER      LYS   5   3.868  -4.712  -3.757
   42   2HE   LYS   5           HES      LYS   5   2.962  -3.174  -3.825
   43   1HZ   LYS   5           HZA      LYS   5   3.397  -3.606  -6.375
   44   2HZ   LYS   5           HZB      LYS   5   3.360  -5.159  -5.873
   45   3HZ   LYS   5           HZC      LYS   5   2.081  -4.182  -5.597
   46    H    CYS   6           HN       CYS   6   8.804  -2.833  -2.957
   47    HA   CYS   6           HA       CYS   6   8.472  -5.448  -4.226
   48   1HB   CYS   6           HBS      CYS   6  10.331  -4.789  -5.649
   49   2HB   CYS   6           HBR      CYS   6   9.005  -3.596  -5.638
   50    H    ASP   7           HN       ASP   7  10.116  -4.141  -1.543
   51    HA   ASP   7           HA       ASP   7  11.706  -4.905  -0.128
   52   1HB   ASP   7           HBR      ASP   7  11.434  -7.505  -1.636
   53   2HB   ASP   7           HBS      ASP   7  12.371  -7.257  -0.135
   54    H    LYS   8           HN       LYS   8  12.569  -3.204  -1.837
   55    HA   LYS   8           HA       LYS   8  15.351  -4.213  -2.175
   56   1HB   LYS   8           HBR      LYS   8  13.860  -2.869  -4.140
   57   2HB   LYS   8           HBS      LYS   8  14.918  -1.627  -3.416
   58   1HG   LYS   8           HGS      LYS   8  16.707  -2.420  -4.497
   59   2HG   LYS   8           HGR      LYS   8  16.398  -4.079  -3.908
   60   1HD   LYS   8           HDR      LYS   8  14.575  -3.178  -6.011
   61   2HD   LYS   8           HDS      LYS   8  16.240  -3.125  -6.521
   62   1HE   LYS   8           HER      LYS   8  15.369  -5.235  -7.130
   63   2HE   LYS   8           HES      LYS   8  16.457  -5.517  -5.741
   64   1HZ   LYS   8           HZC      LYS   8  13.667  -5.032  -5.165
   65   2HZ   LYS   8           HZA      LYS   8  14.035  -6.471  -5.843
   66   3HZ   LYS   8           HZB      LYS   8  14.728  -6.034  -4.431
   67    H    GLU   9           HN       GLU   9  16.666  -1.855  -2.152
   68    HA   GLU   9           HA       GLU   9  15.702  -0.372   0.262
   69   1HB   GLU   9           HBR      GLU   9  18.413   0.155  -0.748
   70   2HB   GLU   9           HBS      GLU   9  17.779   0.155   0.801
   71   1HG   GLU   9           HGR      GLU   9  17.879  -2.261   1.098
   72   2HG   GLU   9           HGS      GLU   9  18.247  -2.436  -0.640
   73    H    VAL  10           HN       VAL  10  15.746   1.902   0.120
   74    HA   VAL  10           HA       VAL  10  15.067   2.660  -2.659
   75    HB   VAL  10           HB       VAL  10  13.896   3.358   0.033
   76   1HG1  VAL  10           HMG      VAL  10  13.984   5.402  -1.454
   77   2HG1  VAL  10           HMG      VAL  10  12.902   4.534  -2.570
   78   3HG1  VAL  10           HMG      VAL  10  12.367   4.893  -0.910
   79   1HG2  VAL  10           HMG      VAL  10  13.393   1.270  -1.627
   80   2HG2  VAL  10           HMG      VAL  10  12.246   1.949  -0.449
   81   3HG2  VAL  10           HMG      VAL  10  12.162   2.450  -2.153
   82    H    TYR  11           HN       TYR  11  16.210   4.095  -3.659
   83    HA   TYR  11           HA       TYR  11  18.347   5.570  -2.284
   84   1HB   TYR  11           HBS      TYR  11  18.792   4.606  -4.489
   85   2HB   TYR  11           HBR      TYR  11  17.447   5.549  -5.191
   86    HD1  TYR  11           HD2      TYR  11  17.631   8.137  -4.926
   87    HD2  TYR  11           HD1      TYR  11  20.961   5.514  -4.584
   88    HE1  TYR  11           HE2      TYR  11  19.133   9.978  -5.539
   89    HE2  TYR  11           HE1      TYR  11  22.484   7.368  -5.115
   90    HH   TYR  11           HH       TYR  11  21.344  10.078  -6.759
   91    H    PHE  12           HN       PHE  12  18.480   7.844  -2.310
   92    HA   PHE  12           HA       PHE  12  16.308   8.785  -0.981
   93   1HB   PHE  12           HBR      PHE  12  18.605  10.350  -2.201
   94   2HB   PHE  12           HBS      PHE  12  17.316  11.143  -1.249
   95    HD1  PHE  12           HD2      PHE  12  18.755   7.744  -0.534
   96    HD2  PHE  12           HD1      PHE  12  18.519  11.860   0.543
   97    HE1  PHE  12           HE2      PHE  12  19.955   7.255   1.574
   98    HE2  PHE  12           HE1      PHE  12  19.713  11.402   2.637
   99    HZ   PHE  12           HZ       PHE  12  20.509   9.117   3.114
  100    H    ALA  13           HN       ALA  13  17.358  10.468  -3.960
  101    HA   ALA  13           HA       ALA  13  14.992  11.724  -4.332
  102   1HB   ALA  13           HMB      ALA  13  17.419  11.213  -5.895
  103   2HB   ALA  13           HMB      ALA  13  15.995  11.529  -6.917
  104   3HB   ALA  13           HMB      ALA  13  16.494  12.723  -5.692
  105    H    GLU  14           HN       GLU  14  15.400   8.459  -4.801
  106    HA   GLU  14           HA       GLU  14  13.162   8.244  -6.712
  107   1HB   GLU  14           HBS      GLU  14  15.063   6.389  -5.361
  108   2HB   GLU  14           HBR      GLU  14  13.766   5.749  -6.213
  109   1HG   GLU  14           HGR      GLU  14  16.057   5.945  -7.499
  110   2HG   GLU  14           HGS      GLU  14  14.598   6.584  -8.304
  111    H    ARG  15           HN       ARG  15  13.044   9.123  -3.728
  112    HA   ARG  15           HA       ARG  15  11.780   6.787  -2.484
  113   1HB   ARG  15           HBR      ARG  15  12.099   7.869  -0.395
  114   2HB   ARG  15           HBS      ARG  15  13.597   8.073  -1.346
  115   1HG   ARG  15           HGS      ARG  15  13.510  10.223  -0.778
  116   2HG   ARG  15           HGR      ARG  15  12.140  10.373  -1.913
  117   1HD   ARG  15           HDS      ARG  15  11.522  11.301   0.201
  118   2HD   ARG  15           HDR      ARG  15  10.607   9.792  -0.074
  119    HE   ARG  15           HE       ARG  15  12.019   8.699   1.553
  120   1HH1  ARG  15           HH1      ARG  15  12.740  12.136   1.231
  121   2HH1  ARG  15           HH1      ARG  15  13.354  12.270   2.845
  122   1HH2  ARG  15           HH2      ARG  15  12.700   8.945   3.702
  123   2HH2  ARG  15           HH2      ARG  15  13.333  10.464   4.244
  124    H    VAL  16           HN       VAL  16   9.830   6.833  -1.358
  125    HA   VAL  16           HA       VAL  16   8.448   9.361  -1.118
  126    HB   VAL  16           HB       VAL  16   6.290   8.675  -1.876
  127   1HG1  VAL  16           HMG      VAL  16   8.433   8.227  -3.964
  128   2HG1  VAL  16           HMG      VAL  16   6.699   8.376  -4.335
  129   3HG1  VAL  16           HMG      VAL  16   7.566   9.734  -3.578
  130   1HG2  VAL  16           HMG      VAL  16   6.533   6.252  -1.339
  131   2HG2  VAL  16           HMG      VAL  16   5.764   6.590  -2.907
  132   3HG2  VAL  16           HMG      VAL  16   7.462   6.061  -2.847
  133    H    THR  17           HN       THR  17   6.953   9.379   0.609
  134    HA   THR  17           HA       THR  17   7.728   7.321   2.612
  135    HB   THR  17           HB       THR  17   6.838  10.140   3.352
  136    HG1  THR  17           HG1      THR  17   8.700  10.782   3.184
  137   1HG2  THR  17           HMG      THR  17   8.510   7.994   4.632
  138   2HG2  THR  17           HMG      THR  17   8.701   9.702   5.106
  139   3HG2  THR  17           HMG      THR  17   7.121   8.897   5.290
  140    H    SER  18           HN       SER  18   6.266   6.458   3.975
  141    HA   SER  18           HA       SER  18   3.644   7.251   4.371
  142   1HB   SER  18           HBS      SER  18   3.267   6.831   1.987
  143   2HB   SER  18           HBR      SER  18   3.772   5.132   2.204
  144    HG   SER  18           HG       SER  18   1.934   4.588   2.891
  145    H    LEU  19           HN       LEU  19   2.791   6.142   6.001
  146    HA   LEU  19           HA       LEU  19   2.896   4.906   7.919
  147   1HB   LEU  19           HBR      LEU  19   3.777   2.872   5.854
  148   2HB   LEU  19           HBS      LEU  19   3.407   2.474   7.556
  149    HG   LEU  19           HG       LEU  19   1.532   1.880   6.196
  150   1HD1  LEU  19           HMD      LEU  19   1.050   2.920   8.386
  151   2HD1  LEU  19           HMD      LEU  19   0.958   4.514   7.594
  152   3HD1  LEU  19           HMD      LEU  19  -0.226   3.246   7.187
  153   1HD2  LEU  19           HMD      LEU  19   2.181   3.424   4.331
  154   2HD2  LEU  19           HMD      LEU  19   0.441   3.431   4.717
  155   3HD2  LEU  19           HMD      LEU  19   1.482   4.768   5.269
  156    H    GLY  20           HN       GLY  20   5.143   6.568   7.185
  157   1HA   GLY  20           HAS      GLY  20   7.120   7.164   8.201
  158   2HA   GLY  20           HAR      GLY  20   6.689   5.967   9.452
  159    H    LYS  21           HN       LYS  21   6.901   4.763   6.232
  160    HA   LYS  21           HA       LYS  21   9.810   4.373   6.346
  161   1HB   LYS  21           HBS      LYS  21   8.516   2.237   7.158
  162   2HB   LYS  21           HBR      LYS  21   8.153   2.044   5.420
  163   1HG   LYS  21           HGS      LYS  21  10.078   0.800   5.565
  164   2HG   LYS  21           HGR      LYS  21  10.779   2.401   5.191
  165   1HD   LYS  21           HDS      LYS  21  10.785   2.589   7.837
  166   2HD   LYS  21           HDR      LYS  21  10.698   0.850   7.749
  167   1HE   LYS  21           HES      LYS  21  12.702   1.037   6.115
  168   2HE   LYS  21           HER      LYS  21  12.881   2.662   6.833
  169   1HZ   LYS  21           HZA      LYS  21  12.559   0.425   8.636
  170   2HZ   LYS  21           HZB      LYS  21  13.995   0.562   7.873
  171   3HZ   LYS  21           HZC      LYS  21  13.448   1.784   8.807
  172    H    ASP  22           HN       ASP  22  10.728   4.085   4.283
  173    HA   ASP  22           HA       ASP  22   9.241   5.679   2.400
  174   1HB   ASP  22           HBS      ASP  22  12.063   4.725   2.020
  175   2HB   ASP  22           HBR      ASP  22  11.267   6.202   1.403
  176    H    TRP  23           HN       TRP  23   9.510   5.295   0.024
  177    HA   TRP  23           HA       TRP  23   9.482   2.421  -0.727
  178   1HB   TRP  23           HBR      TRP  23   7.475   4.515  -1.571
  179   2HB   TRP  23           HBS      TRP  23   7.427   2.751  -1.893
  180    HD1  TRP  23           HD1      TRP  23   6.980   5.312   0.969
  181    HE1  TRP  23           HE1      TRP  23   5.317   4.337   2.673
  182    HE3  TRP  23           HE3      TRP  23   6.295   0.754  -1.181
  183    HZ2  TRP  23           HZ2      TRP  23   3.756   2.018   2.910
  184    HZ3  TRP  23           HZ3      TRP  23   4.707  -0.802  -0.151
  185    HH2  TRP  23           HH2      TRP  23   3.394  -0.160   1.802
  186    H    HIS  24           HN       ZHI  24   9.289   2.282  -3.210
  187    HA   HIS  24           HA       ZHI  24  11.011   4.281  -4.494
  188   1HB   HIS  24           HBS      ZHI  24   9.778   1.748  -5.667
  189   2HB   HIS  24           HBR      ZHI  24  10.965   2.820  -6.468
  190    HD2  HIS  24           HD2      ZHI  24  13.216   3.156  -4.307
  191    HE1  HIS  24           HE1      ZHI  24  12.802  -0.821  -3.086
  192    HE2  HIS  24           HE2      ZHI  24  14.414   1.104  -3.284
  193    H    ARG  25           HN       ARG  25  10.468   5.591  -6.159
  194    HA   ARG  25           HA       ARG  25   8.025   6.862  -5.842
  195   1HB   ARG  25           HBR      ARG  25  10.371   7.430  -7.177
  196   2HB   ARG  25           HBS      ARG  25   9.194   7.263  -8.511
  197   1HG   ARG  25           HGR      ARG  25   7.864   9.036  -7.700
  198   2HG   ARG  25           HGS      ARG  25   8.676   9.027  -6.109
  199   1HD   ARG  25           HDR      ARG  25  10.064  10.566  -6.843
  200   2HD   ARG  25           HDS      ARG  25  10.682   9.398  -8.045
  201    HE   ARG  25           HE       ARG  25   8.244  10.830  -8.803
  202   1HH1  ARG  25           HH1      ARG  25  11.729  10.431  -9.158
  203   2HH1  ARG  25           HH1      ARG  25  11.829  11.531 -10.493
  204   1HH2  ARG  25           HH2      ARG  25   8.434  12.360 -10.464
  205   2HH2  ARG  25           HH2      ARG  25   9.964  12.623 -11.233
  206    HA   PRO  26           HA       PRO  26   6.593   4.572  -9.847
  207   1HB   PRO  26           HBR      PRO  26   7.948   2.283 -10.309
  208   2HB   PRO  26           HBS      PRO  26   8.056   3.655 -11.205
  209   1HG   PRO  26           HGS      PRO  26   9.891   2.639  -9.372
  210   2HG   PRO  26           HGR      PRO  26  10.148   3.753 -10.588
  211   1HD   PRO  26           HDS      PRO  26  10.007   4.344  -7.983
  212   2HD   PRO  26           HDR      PRO  26   9.858   5.441  -9.212
  213    H    CYS  27           HN       CYS  27   7.743   2.746  -7.182
  214    HA   CYS  27           HA       CYS  27   6.128   0.508  -7.564
  215   1HB   CYS  27           HBS      CYS  27   7.689   1.639  -5.298
  216   2HB   CYS  27           HBR      CYS  27   6.468   0.394  -4.911
  217    H    LEU  28           HN       LEU  28   5.502   3.443  -5.663
  218    HA   LEU  28           HA       LEU  28   3.397   2.353  -4.115
  219   1HB   LEU  28           HBS      LEU  28   4.938   4.399  -3.798
  220   2HB   LEU  28           HBR      LEU  28   3.727   5.276  -4.776
  221    HG   LEU  28           HG       LEU  28   2.062   4.315  -2.973
  222   1HD1  LEU  28           HMD      LEU  28   4.719   3.764  -1.869
  223   2HD1  LEU  28           HMD      LEU  28   3.711   4.771  -0.800
  224   3HD1  LEU  28           HMD      LEU  28   3.117   3.184  -1.350
  225   1HD2  LEU  28           HMD      LEU  28   2.780   6.693  -3.584
  226   2HD2  LEU  28           HMD      LEU  28   2.183   6.430  -1.926
  227   3HD2  LEU  28           HMD      LEU  28   3.933   6.573  -2.230
  228    H    LYS  29           HN       LYS  29   2.067   1.249  -5.586
  229    HA   LYS  29           HA       LYS  29   0.279   2.956  -7.246
  230   1HB   LYS  29           HBS      LYS  29   0.533   1.435  -9.113
  231   2HB   LYS  29           HBR      LYS  29   2.110   2.147  -8.665
  232   1HG   LYS  29           HGR      LYS  29   3.011   0.136  -8.155
  233   2HG   LYS  29           HGS      LYS  29   1.516  -0.449  -7.372
  234   1HD   LYS  29           HDR      LYS  29   2.084  -1.792  -9.277
  235   2HD   LYS  29           HDS      LYS  29   0.536  -1.016  -9.468
  236   1HE   LYS  29           HES      LYS  29   2.855   0.456 -10.574
  237   2HE   LYS  29           HER      LYS  29   2.465  -1.108 -11.345
  238   1HZ   LYS  29           HZA      LYS  29   0.111  -0.161 -11.347
  239   2HZ   LYS  29           HZB      LYS  29   0.825   1.295 -11.158
  240   3HZ   LYS  29           HZC      LYS  29   1.169   0.381 -12.467
  241    H    CYS  30           HN       CYS  30  -1.746   2.154  -7.588
  242    HA   CYS  30           HA       CYS  30  -2.859   0.275  -5.802
  243   1HB   CYS  30           HBS      CYS  30  -3.961   2.145  -7.225
  244   2HB   CYS  30           HBR      CYS  30  -4.117   0.858  -8.456
  245    H    GLU  31           HN       GLU  31  -2.703  -1.819  -5.712
  246    HA   GLU  31           HA       GLU  31  -2.193  -3.424  -8.130
  247   1HB   GLU  31           HBR      GLU  31  -1.151  -3.689  -5.814
  248   2HB   GLU  31           HBS      GLU  31  -2.672  -4.141  -5.269
  249   1HG   GLU  31           HGR      GLU  31  -2.498  -6.311  -5.943
  250   2HG   GLU  31           HGS      GLU  31  -2.104  -5.721  -7.580
  251    H    LYS  32           HN       LYS  32  -4.756  -1.869  -7.517
  252    HA   LYS  32           HA       LYS  32  -6.589  -4.157  -8.078
  253   1HB   LYS  32           HBR      LYS  32  -6.969  -2.316  -6.114
  254   2HB   LYS  32           HBS      LYS  32  -7.763  -1.503  -7.494
  255   1HG   LYS  32           HGS      LYS  32  -8.391  -4.288  -6.436
  256   2HG   LYS  32           HGR      LYS  32  -9.384  -2.819  -6.214
  257   1HD   LYS  32           HDS      LYS  32  -8.682  -4.064  -8.887
  258   2HD   LYS  32           HDR      LYS  32 -10.107  -4.470  -7.969
  259   1HE   LYS  32           HES      LYS  32 -11.215  -2.729  -8.747
  260   2HE   LYS  32           HER      LYS  32  -9.927  -1.626  -8.187
  261   1HZ   LYS  32           HZB      LYS  32  -9.388  -3.142 -10.578
  262   2HZ   LYS  32           HZC      LYS  32 -10.513  -1.965 -10.714
  263   3HZ   LYS  32           HZA      LYS  32  -9.003  -1.598 -10.209
  264    H    CYS  33           HN       CYS  33  -6.301  -0.634  -8.705
  265    HA   CYS  33           HA       CYS  33  -7.395  -1.179 -11.370
  266   1HB   CYS  33           HBS      CYS  33  -8.056   1.112 -11.433
  267   2HB   CYS  33           HBR      CYS  33  -8.557   0.345  -9.902
  268    H    GLY  34           HN       GLY  34  -4.379  -0.488  -9.980
  269   1HA   GLY  34           HAR      GLY  34  -2.306  -0.267 -10.947
  270   2HA   GLY  34           HAS      GLY  34  -3.101  -0.485 -12.531
  271    H    LYS  35           HN       LYS  35  -3.832   2.037 -10.143
  272    HA   LYS  35           HA       LYS  35  -2.782   4.115 -11.998
  273   1HB   LYS  35           HBS      LYS  35  -5.134   4.316 -11.034
  274   2HB   LYS  35           HBR      LYS  35  -4.347   4.580  -9.451
  275   1HG   LYS  35           HGS      LYS  35  -4.508   6.763 -10.052
  276   2HG   LYS  35           HGR      LYS  35  -3.007   6.400 -10.952
  277   1HD   LYS  35           HDR      LYS  35  -4.922   5.661 -12.730
  278   2HD   LYS  35           HDS      LYS  35  -5.775   6.929 -11.895
  279   1HE   LYS  35           HES      LYS  35  -4.176   8.558 -12.515
  280   2HE   LYS  35           HER      LYS  35  -2.986   7.302 -12.960
  281   1HZ   LYS  35           HZA      LYS  35  -5.541   7.506 -14.359
  282   2HZ   LYS  35           HZB      LYS  35  -4.283   8.454 -14.789
  283   3HZ   LYS  35           HZC      LYS  35  -4.144   6.828 -14.867
  284    H    THR  36           HN       THR  36  -0.922   5.044 -11.570
  285    HA   THR  36           HA       THR  36   0.703   4.487  -9.261
  286    HB   THR  36           HB       THR  36   0.915   6.864 -11.194
  287    HG1  THR  36           HG1      THR  36   1.040   5.528 -12.393
  288   1HG2  THR  36           HMG      THR  36   2.314   7.034  -9.152
  289   2HG2  THR  36           HMG      THR  36   3.079   5.484  -9.586
  290   3HG2  THR  36           HMG      THR  36   3.265   6.899 -10.653
  291    H    LEU  37           HN       LEU  37   0.956   5.574  -7.405
  292    HA   LEU  37           HA       LEU  37  -1.450   7.098  -6.667
  293   1HB   LEU  37           HBR      LEU  37   0.648   5.633  -5.037
  294   2HB   LEU  37           HBS      LEU  37  -0.852   6.367  -4.400
  295    HG   LEU  37           HG       LEU  37  -0.817   4.130  -6.434
  296   1HD1  LEU  37           HMD      LEU  37  -0.585   4.115  -3.458
  297   2HD1  LEU  37           HMD      LEU  37  -1.675   2.925  -4.211
  298   3HD1  LEU  37           HMD      LEU  37   0.047   2.968  -4.665
  299   1HD2  LEU  37           HMD      LEU  37  -2.776   5.866  -5.819
  300   2HD2  LEU  37           HMD      LEU  37  -3.082   4.160  -6.235
  301   3HD2  LEU  37           HMD      LEU  37  -3.037   4.666  -4.527
  302    H    THR  38           HN       THR  38  -1.167   8.680  -4.834
  303    HA   THR  38           HA       THR  38   0.938  10.588  -5.725
  304    HB   THR  38           HB       THR  38  -2.021  11.130  -5.104
  305    HG1  THR  38           HG1      THR  38  -1.758  10.084  -6.712
  306   1HG2  THR  38           HMG      THR  38   0.263  12.967  -5.736
  307   2HG2  THR  38           HMG      THR  38  -1.376  13.355  -6.320
  308   3HG2  THR  38           HMG      THR  38  -1.074  13.163  -4.574
  309    H    SER  39           HN       SER  39   1.165  12.478  -4.234
  310    HA   SER  39           HA       SER  39   1.956  11.712  -1.726
  311   1HB   SER  39           HBS      SER  39   1.007  14.528  -2.105
  312   2HB   SER  39           HBR      SER  39   2.475  13.904  -1.296
  313    HG   SER  39           HG       SER  39   1.813  14.436  -4.023
  314    H    GLY  40           HN       GLY  40   0.416  10.427  -0.737
  315   1HA   GLY  40           HAR      GLY  40  -1.048  10.090   1.025
  316   2HA   GLY  40           HAS      GLY  40  -1.204  11.859   1.198
  317    H    GLY  41           HN       GLY  41  -1.861   9.595  -1.502
  318   1HA   GLY  41           HAR      GLY  41  -4.783   9.974  -1.022
  319   2HA   GLY  41           HAS      GLY  41  -4.122  10.105  -2.674
  320    H    HIS  42           HN       HIS  42  -2.227   7.883  -1.085
  321    HA   HIS  42           HA       HIS  42  -3.864   5.631  -1.983
  322   1HB   HIS  42           HBS      HIS  42  -1.838   4.325  -1.933
  323   2HB   HIS  42           HBR      HIS  42  -1.513   5.879  -2.755
  324    HD1  HIS  42           HD1      HIS  42  -0.118   3.710  -0.163
  325    HD2  HIS  42           HD2      HIS  42  -0.227   7.802  -0.938
  326    HE1  HIS  42           HE1      HIS  42   1.795   4.721   1.102
  327    HE2  HIS  42           HE2      HIS  42   1.762   7.190   0.602
  328    H    ALA  43           HN       ALA  43  -2.843   3.552  -0.591
  329    HA   ALA  43           HA       ALA  43  -2.439   3.924   2.152
  330   1HB   ALA  43           HMB      ALA  43  -5.268   3.206   1.395
  331   2HB   ALA  43           HMB      ALA  43  -4.543   2.665   2.931
  332   3HB   ALA  43           HMB      ALA  43  -4.682   4.405   2.577
  333    H    GLU  44           HN       GLU  44  -2.199   1.875   3.288
  334    HA   GLU  44           HA       GLU  44  -0.983   0.049   1.289
  335   1HB   GLU  44           HBR      GLU  44   0.761  -0.140   2.824
  336   2HB   GLU  44           HBS      GLU  44   0.330   1.479   2.730
  337   1HG   GLU  44           HGS      GLU  44   0.248   1.623   4.910
  338   2HG   GLU  44           HGR      GLU  44  -1.269   0.682   4.885
  339    H    HIS  45           HN       HIS  45  -1.587  -1.977   1.148
  340    HA   HIS  45           HA       HIS  45  -2.672  -3.345   3.553
  341   1HB   HIS  45           HBS      HIS  45  -4.165  -3.694   1.592
  342   2HB   HIS  45           HBR      HIS  45  -2.779  -4.331   0.664
  343    HD1  HIS  45           HD1      HIS  45  -4.766  -5.207   3.848
  344    HD2  HIS  45           HD2      HIS  45  -2.201  -6.940   1.063
  345    HE1  HIS  45           HE1      HIS  45  -4.680  -7.652   4.393
  346    HE2  HIS  45           HE2      HIS  45  -3.150  -8.711   2.694
  347    H    GLU  46           HN       GLU  46  -1.732  -5.525   3.842
  348    HA   GLU  46           HA       GLU  46   0.861  -5.034   4.533
  349   1HB   GLU  46           HBR      GLU  46  -0.756  -7.552   4.235
  350   2HB   GLU  46           HBS      GLU  46   0.869  -7.644   4.645
  351   1HG   GLU  46           HGR      GLU  46   0.069  -7.563   6.833
  352   2HG   GLU  46           HGS      GLU  46   0.350  -5.841   6.458
  353    H    GLY  47           HN       GLY  47   2.322  -4.449   3.026
  354   1HA   GLY  47           HAR      GLY  47   3.850  -4.614   1.313
  355   2HA   GLY  47           HAS      GLY  47   3.495  -6.361   1.261
  356    H    LYS  48           HN       LYS  48   1.242  -3.641   0.782
  357    HA   LYS  48           HA       LYS  48   1.585  -3.387  -2.034
  358   1HB   LYS  48           HBR      LYS  48  -0.897  -4.197  -2.444
  359   2HB   LYS  48           HBS      LYS  48   0.493  -5.307  -2.608
  360   1HG   LYS  48           HGS      LYS  48   0.053  -6.052  -0.230
  361   2HG   LYS  48           HGR      LYS  48  -1.458  -5.099  -0.287
  362   1HD   LYS  48           HDR      LYS  48  -1.784  -7.480  -0.712
  363   2HD   LYS  48           HDS      LYS  48  -2.330  -6.476  -2.027
  364   1HE   LYS  48           HER      LYS  48  -1.066  -8.606  -2.588
  365   2HE   LYS  48           HES      LYS  48  -0.527  -7.112  -3.405
  366   1HZ   LYS  48           HZA      LYS  48   0.770  -7.661  -0.916
  367   2HZ   LYS  48           HZB      LYS  48   1.071  -8.767  -2.078
  368   3HZ   LYS  48           HZC      LYS  48   1.405  -7.190  -2.344
  369    HA   PRO  49           HA       PRO  49  -0.622   0.227  -0.586
  370   1HB   PRO  49           HBR      PRO  49   0.367   1.708  -2.579
  371   2HB   PRO  49           HBS      PRO  49   0.990   1.652  -1.061
  372   1HG   PRO  49           HGS      PRO  49   2.016   0.525  -3.394
  373   2HG   PRO  49           HGR      PRO  49   2.812   0.857  -1.964
  374   1HD   PRO  49           HDS      PRO  49   2.016  -1.587  -2.802
  375   2HD   PRO  49           HDR      PRO  49   2.574  -1.213  -1.291
  376    H    TYR  50           HN       TYR  50  -2.089   1.752  -1.711
  377    HA   TYR  50           HA       TYR  50  -3.363   0.739  -4.140
  378   1HB   TYR  50           HBR      TYR  50  -4.464   0.202  -1.371
  379   2HB   TYR  50           HBS      TYR  50  -5.517   0.319  -2.808
  380    HD1  TYR  50           HD1      TYR  50  -5.409  -1.421  -4.563
  381    HD2  TYR  50           HD2      TYR  50  -3.187  -1.752  -0.952
  382    HE1  TYR  50           HE1      TYR  50  -5.044  -3.809  -5.015
  383    HE2  TYR  50           HE2      TYR  50  -2.867  -4.150  -1.360
  384    HH   TYR  50           HH       TYR  50  -4.700  -5.900  -3.313
  385    H    CYS  51           HN       CYS  51  -5.426   1.933  -4.534
  386    HA   CYS  51           HA       CYS  51  -5.664   4.631  -3.819
  387   1HB   CYS  51           HBS      CYS  51  -7.848   2.600  -4.345
  388   2HB   CYS  51           HBR      CYS  51  -8.108   4.359  -4.185
  389    H    ASN  52           HN       ASN  52  -6.292   5.745  -2.119
  390    HA   ASN  52           HA       ASN  52  -6.991   4.637   0.395
  391   1HB   ASN  52           HBS      ASN  52  -6.611   7.229  -0.690
  392   2HB   ASN  52           HBR      ASN  52  -8.191   7.195   0.145
  393   1HD2  ASN  52           HD2      ASN  52  -5.129   7.941   2.384
  394   2HD2  ASN  52           HD2      ASN  52  -5.443   8.423   0.749
  395    H    HIS  53           HN       HIS  53  -8.945   5.667  -2.372
  396    HA   HIS  53           HA       HIS  53 -10.789   3.520  -1.719
  397   1HB   HIS  53           HBS      HIS  53 -11.746   6.400  -1.728
  398   2HB   HIS  53           HBR      HIS  53 -12.803   5.068  -2.273
  399    HD1  HIS  53           HD1      HIS  53 -14.190   4.039  -0.427
  400    HD2  HIS  53           HD2      HIS  53 -10.812   6.007   1.009
  401    HE1  HIS  53           HE1      HIS  53 -14.415   4.099   2.068
  402    HE2  HIS  53           HE2      HIS  53 -12.380   5.298   2.943
  403    HA   PRO  54           HA       PRO  54 -12.871   3.216  -2.435
  404   1HB   PRO  54           HBS      PRO  54 -13.908   1.387  -4.036
  405   2HB   PRO  54           HBR      PRO  54 -14.591   2.867  -3.820
  406   1HG   PRO  54           HGR      PRO  54 -13.404   1.868  -6.097
  407   2HG   PRO  54           HGS      PRO  54 -14.187   3.328  -5.905
  408   1HD   PRO  54           HDR      PRO  54 -11.428   2.808  -5.880
  409   2HD   PRO  54           HDS      PRO  54 -12.194   4.261  -6.088
  410    H    CYS  55           HN       CYS  55 -10.414   2.076  -4.362
  411    HA   CYS  55           HA       CYS  55 -10.735  -0.589  -4.230
  412   1HB   CYS  55           HBS      CYS  55  -8.051   0.813  -4.293
  413   2HB   CYS  55           HBR      CYS  55  -8.400  -0.852  -4.840
  414    H    TYR  56           HN       TYR  56  -8.861   1.322  -1.878
  415    HA   TYR  56           HA       TYR  56  -8.067  -0.838  -0.207
  416   1HB   TYR  56           HBR      TYR  56  -7.069   1.360   0.010
  417   2HB   TYR  56           HBS      TYR  56  -8.644   2.072   0.463
  418    HD1  TYR  56           HD1      TYR  56  -9.734   1.127   2.654
  419    HD2  TYR  56           HD2      TYR  56  -5.620   0.662   1.679
  420    HE1  TYR  56           HE1      TYR  56  -9.225   0.709   5.021
  421    HE2  TYR  56           HE2      TYR  56  -5.104   0.215   4.036
  422    HH   TYR  56           HH       TYR  56  -7.031   1.010   6.512
  423    H    SER  57           HN       SER  57 -10.940   1.288  -0.153
  424    HA   SER  57           HA       SER  57 -11.950   0.189   2.258
  425   1HB   SER  57           HBS      SER  57 -12.567   2.393   1.697
  426   2HB   SER  57           HBR      SER  57 -13.228   1.897   0.113
  427    HG   SER  57           HG       SER  57 -14.904   2.313   1.496
  428    H    ALA  58           HN       ALA  58 -12.063  -0.910  -0.984
  429    HA   ALA  58           HA       ALA  58 -14.589  -2.346  -0.666
  430   1HB   ALA  58           HMB      ALA  58 -14.007  -1.171  -2.749
  431   2HB   ALA  58           HMB      ALA  58 -12.626  -2.274  -2.975
  432   3HB   ALA  58           HMB      ALA  58 -14.289  -2.912  -3.001
  433    H    MET  59           HN       MET  59 -11.141  -3.117  -1.183
  434    HA   MET  59           HA       MET  59 -11.759  -5.978  -1.122
  435   1HB   MET  59           HBR      MET  59  -9.194  -4.453  -1.679
  436   2HB   MET  59           HBS      MET  59  -9.371  -6.225  -1.771
  437   1HG   MET  59           HGS      MET  59 -11.208  -4.364  -3.333
  438   2HG   MET  59           HGR      MET  59  -9.609  -4.824  -3.961
  439   1HE   MET  59           HME      MET  59  -8.817  -7.342  -4.057
  440   2HE   MET  59           HME      MET  59  -9.498  -7.875  -2.499
  441   3HE   MET  59           HME      MET  59  -9.883  -8.767  -3.993
  442    H    PHE  60           HN       PHE  60 -10.194  -3.532   0.852
  443    HA   PHE  60           HA       PHE  60  -9.730  -5.604   2.929
  444   1HB   PHE  60           HBR      PHE  60  -7.931  -3.176   2.506
  445   2HB   PHE  60           HBS      PHE  60  -7.815  -4.383   3.821
  446    HD1  PHE  60           HD2      PHE  60  -7.372  -6.886   3.037
  447    HD2  PHE  60           HD1      PHE  60  -6.782  -3.428   0.619
  448    HE1  PHE  60           HE2      PHE  60  -5.944  -8.206   1.507
  449    HE2  PHE  60           HE1      PHE  60  -5.368  -4.717  -0.917
  450    HZ   PHE  60           HZ       PHE  60  -4.995  -7.120  -0.508
  451    H    GLY  61           HN       GLY  61 -11.812  -5.109   3.671
  452   1HA   GLY  61           HAR      GLY  61 -12.213  -3.225   5.665
  453   2HA   GLY  61           HAS      GLY  61 -12.708  -2.404   4.158
  454    HA   PRO  62           HA       PRO  62 -15.636  -5.743   6.033
  455   1HB   PRO  62           HBR      PRO  62 -17.218  -4.125   7.521
  456   2HB   PRO  62           HBS      PRO  62 -16.132  -5.210   8.104
  457   1HG   PRO  62           HGS      PRO  62 -15.908  -2.436   7.981
  458   2HG   PRO  62           HGR      PRO  62 -15.047  -3.506   8.930
  459   1HD   PRO  62           HDS      PRO  62 -14.067  -2.261   6.783
  460   2HD   PRO  62           HDR      PRO  62 -13.411  -3.618   7.466
  461    H    LYS  63           HN       LYS  63 -17.569  -6.415   5.285
  462    HA   LYS  63           HA       LYS  63 -18.802  -4.509   3.348
  463   1HB   LYS  63           HBS      LYS  63 -19.013  -6.549   1.842
  464   2HB   LYS  63           HBR      LYS  63 -17.396  -5.802   1.993
  465   1HG   LYS  63           HGR      LYS  63 -16.691  -7.566   3.529
  466   2HG   LYS  63           HGS      LYS  63 -18.324  -8.289   3.485
  467   1HD   LYS  63           HDS      LYS  63 -18.078  -8.719   1.091
  468   2HD   LYS  63           HDR      LYS  63 -16.494  -7.997   1.117
  469   1HE   LYS  63           HES      LYS  63 -17.198 -10.383   2.810
  470   2HE   LYS  63           HER      LYS  63 -16.548 -10.492   1.150
  471   1HZ   LYS  63           HZA      LYS  63 -14.925  -8.760   2.486
  472   2HZ   LYS  63           HZB      LYS  63 -15.186  -9.969   3.551
  473   3HZ   LYS  63           HZC      LYS  63 -14.579 -10.301   2.072
  474    H    GLY  64           HN       GLY  64 -20.695  -5.982   2.255
  475   1HA   GLY  64           HAS      GLY  64 -22.593  -6.079   4.474
  476   2HA   GLY  64           HAR      GLY  64 -22.971  -6.065   2.731
  477    H    PHE  65           HN       PHE  65 -24.124  -7.808   2.289
  478    HA   PHE  65           HA       PHE  65 -24.229 -10.060   3.978
  479   1HB   PHE  65           HBS      PHE  65 -26.074  -9.243   2.392
  480   2HB   PHE  65           HBR      PHE  65 -25.192 -10.103   1.096
  481    HD1  PHE  65           HD1      PHE  65 -26.008 -10.790   4.637
  482    HD2  PHE  65           HD2      PHE  65 -26.309 -12.171   0.617
  483    HE1  PHE  65           HE1      PHE  65 -27.032 -12.866   5.449
  484    HE2  PHE  65           HE2      PHE  65 -27.348 -14.271   1.410
  485    HZ   PHE  65           HZ       PHE  65 -27.648 -14.634   3.844
  486    H    GLY  66           HN       GLY  66 -23.508 -10.294   0.492
  487   1HA   GLY  66           HAS      GLY  66 -21.064 -11.655   0.479
  488   2HA   GLY  66           HAR      GLY  66 -22.306 -12.874   0.875
  489    H    ARG  67           HN       ARG  67 -22.473  -9.975  -1.213
  490    HA   ARG  67           HA       ARG  67 -23.703 -11.680  -3.294
  491   1HB   ARG  67           HBS      ARG  67 -24.545  -9.533  -4.200
  492   2HB   ARG  67           HBR      ARG  67 -25.092  -9.884  -2.536
  493   1HG   ARG  67           HGS      ARG  67 -23.251  -8.346  -1.729
  494   2HG   ARG  67           HGR      ARG  67 -23.016  -7.867  -3.433
  495   1HD   ARG  67           HDS      ARG  67 -25.625  -7.686  -1.927
  496   2HD   ARG  67           HDR      ARG  67 -24.469  -6.341  -2.139
  497    HE   ARG  67           HE       ARG  67 -26.249  -7.480  -4.167
  498   1HH1  ARG  67           HH1      ARG  67 -23.700  -5.188  -3.345
  499   2HH1  ARG  67           HH1      ARG  67 -23.763  -4.398  -4.885
  500   1HH2  ARG  67           HH2      ARG  67 -26.214  -6.505  -6.213
  501   2HH2  ARG  67           HH2      ARG  67 -25.187  -5.142  -6.508
  502    H    GLY  68           HN       GLY  68 -20.783 -11.471  -2.869
  503   1HA   GLY  68           HAR      GLY  68 -19.501  -9.871  -4.741
  504   2HA   GLY  68           HAS      GLY  68 -18.900 -11.461  -4.199
  505    H    GLY  69           HN       GLY  69 -18.635 -10.301  -6.816
  506   1HA   GLY  69           HAR      GLY  69 -20.652 -11.021  -8.641
  507   2HA   GLY  69           HAS      GLY  69 -18.948 -10.700  -9.060
  508    H    ALA  70           HN       ALA  70 -19.967 -12.475 -10.618
  509    HA   ALA  70           HA       ALA  70 -19.915 -15.164  -9.433
  510   1HB   ALA  70           HMB      ALA  70 -21.086 -13.855 -11.816
  511   2HB   ALA  70           HMB      ALA  70 -20.569 -15.548 -12.022
  512   3HB   ALA  70           HMB      ALA  70 -21.740 -15.122 -10.747
  513    H    GLU  71           HN       GLU  71 -18.170 -13.173 -11.770
  514    HA   GLU  71           HA       GLU  71 -15.914 -15.043 -11.916
  515   1HB   GLU  71           HBR      GLU  71 -16.254 -15.576 -14.214
  516   2HB   GLU  71           HBS      GLU  71 -17.533 -16.086 -13.257
  517   1HG   GLU  71           HGR      GLU  71 -18.736 -13.797 -13.941
  518   2HG   GLU  71           HGS      GLU  71 -17.559 -13.910 -15.279
  519    H    SER  72           HN       SER  72 -17.636 -12.360 -13.560
  520    HA   SER  72           HA       SER  72 -15.075 -10.851 -13.647
  521   1HB   SER  72           HBR      SER  72 -17.678 -10.155 -15.030
  522   2HB   SER  72           HBS      SER  72 -16.081  -9.374 -15.221
  523    HG   SER  72           HG       SER  72 -16.519 -12.201 -15.623
  524    H    HIS  73           HN       HIS  73 -14.721  -9.377 -12.188
  525    HA   HIS  73           HA       HIS  73 -16.520  -9.108 -10.011
  526   1HB   HIS  73           HBR      HIS  73 -14.923  -7.518  -9.045
  527   2HB   HIS  73           HBS      HIS  73 -14.089  -8.969  -9.671
  528    HD1  HIS  73           HD1      HIS  73 -13.146  -8.518 -12.334
  529    HD2  HIS  73           HD2      HIS  73 -13.741  -5.246  -9.826
  530    HE1  HIS  73           HE1      HIS  73 -11.937  -6.592 -13.386
  531    HE2  HIS  73           HE2      HIS  73 -12.312  -4.603 -11.885
  532    H    THR  74           HN       THR  74 -17.099  -6.969  -9.044
  533    HA   THR  74           HA       THR  74 -17.220  -4.645 -10.687
  534    HB   THR  74           HB       THR  74 -19.156  -5.955 -11.710
  535    HG1  THR  74           HG1      THR  74 -19.016  -4.098 -11.969
  536   1HG2  THR  74           HMG      THR  74 -20.020  -6.982  -9.611
  537   2HG2  THR  74           HMG      THR  74 -20.570  -5.367  -9.097
  538   3HG2  THR  74           HMG      THR  74 -21.261  -6.121 -10.557
  539    H    PHE  75           HN       PHE  75 -19.264  -3.268  -9.468
  540    HA   PHE  75           HA       PHE  75 -17.844  -2.460  -7.165
  541   1HB   PHE  75           HBR      PHE  75 -19.463  -1.071  -8.709
  542   2HB   PHE  75           HBS      PHE  75 -20.718  -1.617  -7.557
  543    HD1  PHE  75           HD1      PHE  75 -20.323  -1.263  -5.137
  544    HD2  PHE  75           HD2      PHE  75 -18.142   0.864  -8.116
  545    HE1  PHE  75           HE1      PHE  75 -19.694   0.407  -3.455
  546    HE2  PHE  75           HE2      PHE  75 -17.497   2.564  -6.439
  547    HZ   PHE  75           HZ       PHE  75 -18.232   2.289  -4.089
  548    H    LYS  76           HN       LYS  76 -17.701  -4.267  -5.821
  549    HA   LYS  76           HA       LYS  76 -20.242  -5.290  -4.678
  550   1HB   LYS  76           HBS      LYS  76 -18.742  -7.164  -3.874
  551   2HB   LYS  76           HBR      LYS  76 -19.005  -7.046  -5.638
  552   1HG   LYS  76           HGR      LYS  76 -16.817  -6.337  -6.046
  553   2HG   LYS  76           HGS      LYS  76 -16.578  -5.776  -4.367
  554   1HD   LYS  76           HDS      LYS  76 -15.411  -7.637  -4.111
  555   2HD   LYS  76           HDR      LYS  76 -16.983  -8.355  -3.886
  556   1HE   LYS  76           HES      LYS  76 -16.944  -9.491  -5.824
  557   2HE   LYS  76           HER      LYS  76 -16.072  -8.185  -6.678
  558   1HZ   LYS  76           HZC      LYS  76 -14.095  -8.881  -5.441
  559   2HZ   LYS  76           HZA      LYS  76 -14.915 -10.153  -4.829
  560   3HZ   LYS  76           HZB      LYS  76 -14.656 -10.047  -6.438
   
  No H/Q in entry =         560
  Start of MODEL    2
    1    H    PRO   1           HN       PRO   1  17.113   2.834   3.930
    2    HA   PRO   1           HA       PRO   1  14.884   2.180   4.797
    3   1HB   PRO   1           HBS      PRO   1  13.618   3.785   2.873
    4   2HB   PRO   1           HBR      PRO   1  13.200   3.573   4.447
    5   1HG   PRO   1           HGS      PRO   1  14.287   5.769   3.441
    6   2HG   PRO   1           HGR      PRO   1  14.286   5.387   5.066
    7   1HD   PRO   1           HDR      PRO   1  16.429   5.322   3.269
    8   2HD   PRO   1           HDS      PRO   1  16.477   5.287   4.920
    9    H    LYS   2           HN       LYS   2  13.137   1.126   3.387
   10    HA   LYS   2           HA       LYS   2  14.439  -0.105   1.027
   11   1HB   LYS   2           HBR      LYS   2  15.307  -1.299   3.002
   12   2HB   LYS   2           HBS      LYS   2  13.632  -1.637   3.522
   13   1HG   LYS   2           HGS      LYS   2  13.883  -3.582   2.414
   14   2HG   LYS   2           HGR      LYS   2  13.638  -2.601   0.942
   15   1HD   LYS   2           HDR      LYS   2  15.544  -3.586   0.338
   16   2HD   LYS   2           HDS      LYS   2  16.259  -2.255   1.207
   17   1HE   LYS   2           HES      LYS   2  17.408  -3.843   2.296
   18   2HE   LYS   2           HER      LYS   2  15.886  -4.102   3.195
   19   1HZ   LYS   2           HZC      LYS   2  15.855  -5.481   0.753
   20   2HZ   LYS   2           HZA      LYS   2  17.185  -5.902   1.604
   21   3HZ   LYS   2           HZB      LYS   2  15.703  -6.069   2.269
   22    H    CYS   3           HN       CYS   3  13.038  -0.882  -0.410
   23    HA   CYS   3           HA       CYS   3  10.402   0.055  -0.128
   24   1HB   CYS   3           HBS      CYS   3  11.877   0.148  -2.136
   25   2HB   CYS   3           HBR      CYS   3  11.575  -1.599  -2.367
   26    HA   PRO   4           HA       PRO   4   8.406  -3.733   1.171
   27   1HB   PRO   4           HBR      PRO   4   6.003  -2.411   1.144
   28   2HB   PRO   4           HBS      PRO   4   6.858  -2.869   2.469
   29   1HG   PRO   4           HGS      PRO   4   6.441  -0.353   1.700
   30   2HG   PRO   4           HGR      PRO   4   7.574  -0.837   2.828
   31   1HD   PRO   4           HDS      PRO   4   7.965  -0.146   0.105
   32   2HD   PRO   4           HDR      PRO   4   9.032  -0.013   1.363
   33    H    LYS   5           HN       LYS   5   8.109  -1.895  -1.579
   34    HA   LYS   5           HA       LYS   5   5.991  -3.487  -2.782
   35   1HB   LYS   5           HBR      LYS   5   6.715  -0.938  -3.138
   36   2HB   LYS   5           HBS      LYS   5   7.706  -1.680  -4.425
   37   1HG   LYS   5           HGS      LYS   5   4.841  -2.508  -4.292
   38   2HG   LYS   5           HGR      LYS   5   5.173  -0.829  -4.810
   39   1HD   LYS   5           HDS      LYS   5   6.543  -1.614  -6.618
   40   2HD   LYS   5           HDR      LYS   5   6.534  -3.241  -5.993
   41   1HE   LYS   5           HES      LYS   5   3.839  -2.254  -6.477
   42   2HE   LYS   5           HER      LYS   5   4.876  -2.246  -7.933
   43   1HZ   LYS   5           HZB      LYS   5   5.385  -4.549  -7.473
   44   2HZ   LYS   5           HZC      LYS   5   4.400  -4.550  -6.171
   45   3HZ   LYS   5           HZA      LYS   5   3.776  -4.341  -7.666
   46    H    CYS   6           HN       CYS   6   9.333  -2.719  -3.842
   47    HA   CYS   6           HA       CYS   6   9.146  -5.067  -5.631
   48   1HB   CYS   6           HBS      CYS   6  11.006  -4.091  -6.852
   49   2HB   CYS   6           HBR      CYS   6   9.603  -2.997  -6.732
   50    H    ASP   7           HN       ASP   7  10.588  -4.071  -2.708
   51    HA   ASP   7           HA       ASP   7  12.189  -4.916  -1.353
   52   1HB   ASP   7           HBR      ASP   7  11.061  -7.081  -2.040
   53   2HB   ASP   7           HBS      ASP   7  12.453  -7.321  -3.135
   54    H    LYS   8           HN       LYS   8  12.975  -2.968  -2.896
   55    HA   LYS   8           HA       LYS   8  15.832  -3.743  -3.250
   56   1HB   LYS   8           HBR      LYS   8  14.309  -2.240  -5.042
   57   2HB   LYS   8           HBS      LYS   8  15.194  -1.022  -4.080
   58   1HG   LYS   8           HGR      LYS   8  16.496  -1.564  -6.044
   59   2HG   LYS   8           HGS      LYS   8  17.321  -2.230  -4.604
   60   1HD   LYS   8           HDR      LYS   8  17.237  -4.271  -5.351
   61   2HD   LYS   8           HDS      LYS   8  15.523  -4.196  -5.651
   62   1HE   LYS   8           HER      LYS   8  15.799  -3.888  -7.850
   63   2HE   LYS   8           HES      LYS   8  17.151  -2.743  -7.624
   64   1HZ   LYS   8           HZC      LYS   8  18.512  -4.716  -7.094
   65   2HZ   LYS   8           HZA      LYS   8  17.276  -5.677  -7.558
   66   3HZ   LYS   8           HZB      LYS   8  17.982  -4.676  -8.638
   67    H    GLU   9           HN       GLU   9  16.986  -1.340  -2.818
   68    HA   GLU   9           HA       GLU   9  15.881  -0.326  -0.229
   69   1HB   GLU   9           HBR      GLU   9  18.584   0.496  -1.043
   70   2HB   GLU   9           HBS      GLU   9  17.909   0.215   0.462
   71   1HG   GLU   9           HGS      GLU   9  18.432  -1.932   0.649
   72   2HG   GLU   9           HGR      GLU   9  18.229  -2.319  -1.082
   73    H    VAL  10           HN       VAL  10  15.802   1.939   0.001
   74    HA   VAL  10           HA       VAL  10  15.152   3.109  -2.640
   75    HB   VAL  10           HB       VAL  10  13.873   3.300   0.086
   76   1HG1  VAL  10           HMG      VAL  10  13.917   5.544  -1.200
   77   2HG1  VAL  10           HMG      VAL  10  12.750   4.760  -2.292
   78   3HG1  VAL  10           HMG      VAL  10  12.368   4.941  -0.563
   79   1HG2  VAL  10           HMG      VAL  10  13.537   1.476  -1.900
   80   2HG2  VAL  10           HMG      VAL  10  12.329   1.890  -0.661
   81   3HG2  VAL  10           HMG      VAL  10  12.246   2.654  -2.265
   82    H    TYR  11           HN       TYR  11  16.241   4.742  -3.351
   83    HA   TYR  11           HA       TYR  11  18.242   6.058  -1.626
   84   1HB   TYR  11           HBS      TYR  11  18.708   5.280  -4.017
   85   2HB   TYR  11           HBR      TYR  11  17.663   6.627  -4.547
   86    HD1  TYR  11           HD2      TYR  11  20.763   5.843  -2.638
   87    HD2  TYR  11           HD1      TYR  11  18.567   8.820  -4.735
   88    HE1  TYR  11           HE2      TYR  11  22.666   7.378  -2.433
   89    HE2  TYR  11           HE1      TYR  11  20.478  10.356  -4.565
   90    HH   TYR  11           HH       TYR  11  22.377  10.535  -2.546
   91    H    PHE  12           HN       PHE  12  18.330   8.376  -1.530
   92    HA   PHE  12           HA       PHE  12  16.096   9.101  -0.178
   93   1HB   PHE  12           HBR      PHE  12  18.612  10.291  -0.573
   94   2HB   PHE  12           HBS      PHE  12  17.431  11.550  -1.039
   95    HD1  PHE  12           HD2      PHE  12  18.514   9.354   1.804
   96    HD2  PHE  12           HD1      PHE  12  16.037  12.559   0.480
   97    HE1  PHE  12           HE2      PHE  12  18.050   9.961   4.158
   98    HE2  PHE  12           HE1      PHE  12  15.557  13.176   2.806
   99    HZ   PHE  12           HZ       PHE  12  16.515  11.845   4.646
  100    H    ALA  13           HN       ALA  13  17.100  11.085  -2.981
  101    HA   ALA  13           HA       ALA  13  14.674  12.238  -3.292
  102   1HB   ALA  13           HMB      ALA  13  17.139  11.970  -4.878
  103   2HB   ALA  13           HMB      ALA  13  15.703  12.373  -5.851
  104   3HB   ALA  13           HMB      ALA  13  16.182  13.423  -4.494
  105    H    GLU  14           HN       GLU  14  15.271   9.055  -4.039
  106    HA   GLU  14           HA       GLU  14  12.910   8.938  -5.873
  107   1HB   GLU  14           HBS      GLU  14  14.970   6.856  -5.295
  108   2HB   GLU  14           HBR      GLU  14  13.705   6.657  -6.378
  109   1HG   GLU  14           HGS      GLU  14  15.471   7.157  -7.815
  110   2HG   GLU  14           HGR      GLU  14  14.844   8.814  -7.601
  111    H    ARG  15           HN       ARG  15  12.846   9.493  -3.061
  112    HA   ARG  15           HA       ARG  15  11.690   6.984  -2.017
  113   1HB   ARG  15           HBR      ARG  15  11.846   7.926   0.146
  114   2HB   ARG  15           HBS      ARG  15  13.384   8.274  -0.692
  115   1HG   ARG  15           HGS      ARG  15  12.515  10.591  -1.143
  116   2HG   ARG  15           HGR      ARG  15  11.124  10.206  -0.092
  117   1HD   ARG  15           HDR      ARG  15  13.695   9.530   1.101
  118   2HD   ARG  15           HDS      ARG  15  13.534  11.263   0.700
  119    HE   ARG  15           HE       ARG  15  11.165  10.462   1.989
  120   1HH1  ARG  15           HH1      ARG  15  14.594  10.467   2.808
  121   2HH1  ARG  15           HH1      ARG  15  14.310  10.908   4.459
  122   1HH2  ARG  15           HH2      ARG  15  10.841  11.163   4.119
  123   2HH2  ARG  15           HH2      ARG  15  12.187  11.300   5.202
  124    H    VAL  16           HN       VAL  16   9.663   6.813  -1.152
  125    HA   VAL  16           HA       VAL  16   8.145   9.251  -0.748
  126    HB   VAL  16           HB       VAL  16   6.068   8.507  -1.663
  127   1HG1  VAL  16           HMG      VAL  16   8.298   8.318  -3.700
  128   2HG1  VAL  16           HMG      VAL  16   6.571   8.474  -4.101
  129   3HG1  VAL  16           HMG      VAL  16   7.397   9.769  -3.200
  130   1HG2  VAL  16           HMG      VAL  16   6.584   6.030  -1.310
  131   2HG2  VAL  16           HMG      VAL  16   5.636   6.485  -2.746
  132   3HG2  VAL  16           HMG      VAL  16   7.365   6.090  -2.909
  133    H    THR  17           HN       THR  17   6.724   9.106   0.979
  134    HA   THR  17           HA       THR  17   7.487   6.859   2.775
  135    HB   THR  17           HB       THR  17   6.772   9.679   3.716
  136    HG1  THR  17           HG1      THR  17   9.150   8.542   3.059
  137   1HG2  THR  17           HMG      THR  17   6.893   7.868   5.398
  138   2HG2  THR  17           HMG      THR  17   8.598   7.605   4.953
  139   3HG2  THR  17           HMG      THR  17   8.092   9.162   5.657
  140    H    SER  18           HN       SER  18   6.030   5.910   4.064
  141    HA   SER  18           HA       SER  18   3.327   6.683   4.478
  142   1HB   SER  18           HBR      SER  18   3.174   6.444   2.032
  143   2HB   SER  18           HBS      SER  18   3.733   4.752   2.179
  144    HG   SER  18           HG       SER  18   1.411   5.994   3.418
  145    H    LEU  19           HN       LEU  19   2.396   5.395   5.926
  146    HA   LEU  19           HA       LEU  19   2.403   4.001   7.736
  147   1HB   LEU  19           HBR      LEU  19   3.567   2.189   5.605
  148   2HB   LEU  19           HBS      LEU  19   3.027   1.638   7.216
  149    HG   LEU  19           HG       LEU  19   1.315   1.095   5.677
  150   1HD1  LEU  19           HMD      LEU  19   0.760   2.396   7.879
  151   2HD1  LEU  19           HMD      LEU  19   0.273   3.696   6.763
  152   3HD1  LEU  19           HMD      LEU  19  -0.518   2.102   6.672
  153   1HD2  LEU  19           HMD      LEU  19   2.128   2.639   3.909
  154   2HD2  LEU  19           HMD      LEU  19   0.361   2.701   4.132
  155   3HD2  LEU  19           HMD      LEU  19   1.391   3.997   4.793
  156    H    GLY  20           HN       GLY  20   4.844   5.667   6.957
  157   1HA   GLY  20           HAS      GLY  20   6.466   6.349   8.501
  158   2HA   GLY  20           HAR      GLY  20   6.344   4.767   9.315
  159    H    LYS  21           HN       LYS  21   6.530   3.632   6.400
  160    HA   LYS  21           HA       LYS  21   9.513   3.583   6.391
  161   1HB   LYS  21           HBR      LYS  21   9.345   1.360   5.316
  162   2HB   LYS  21           HBS      LYS  21   8.757   1.383   7.002
  163   1HG   LYS  21           HGR      LYS  21   6.472   1.267   6.299
  164   2HG   LYS  21           HGS      LYS  21   6.914   1.569   4.594
  165   1HD   LYS  21           HDS      LYS  21   6.457  -0.701   4.678
  166   2HD   LYS  21           HDR      LYS  21   8.192  -0.552   4.614
  167   1HE   LYS  21           HER      LYS  21   7.662  -0.571   7.324
  168   2HE   LYS  21           HES      LYS  21   6.530  -1.774   6.645
  169   1HZ   LYS  21           HZC      LYS  21   9.371  -1.745   5.934
  170   2HZ   LYS  21           HZA      LYS  21   8.827  -2.550   7.246
  171   3HZ   LYS  21           HZB      LYS  21   8.293  -2.960   5.758
  172    H    ASP  22           HN       ASP  22  10.475   3.481   4.327
  173    HA   ASP  22           HA       ASP  22   9.007   5.243   2.567
  174   1HB   ASP  22           HBS      ASP  22  11.883   4.447   2.230
  175   2HB   ASP  22           HBR      ASP  22  11.050   5.949   1.735
  176    H    TRP  23           HN       TRP  23   9.382   5.125   0.186
  177    HA   TRP  23           HA       TRP  23   9.551   2.356  -0.878
  178   1HB   TRP  23           HBR      TRP  23   7.453   4.415  -1.566
  179   2HB   TRP  23           HBS      TRP  23   7.514   2.696  -2.065
  180    HD1  TRP  23           HD1      TRP  23   6.819   4.922   1.017
  181    HE1  TRP  23           HE1      TRP  23   5.145   3.694   2.535
  182    HE3  TRP  23           HE3      TRP  23   6.505   0.565  -1.588
  183    HZ2  TRP  23           HZ2      TRP  23   3.748   1.262   2.498
  184    HZ3  TRP  23           HZ3      TRP  23   4.988  -1.181  -0.777
  185    HH2  TRP  23           HH2      TRP  23   3.569  -0.816   1.173
  186    H    HIS  24           HN       ZHI  24   9.395   2.524  -3.383
  187    HA   HIS  24           HA       ZHI  24  11.033   4.752  -4.363
  188   1HB   HIS  24           HBS      ZHI  24   9.943   2.326  -5.862
  189   2HB   HIS  24           HBR      ZHI  24  11.060   3.559  -6.521
  190    HD2  HIS  24           HD2      ZHI  24  13.265   3.749  -4.259
  191    HE1  HIS  24           HE1      ZHI  24  13.138  -0.388  -3.677
  192    HE2  HIS  24           HE2      ZHI  24  14.608   1.653  -3.548
  193    H    ARG  25           HN       ARG  25  10.466   6.123  -6.039
  194    HA   ARG  25           HA       ARG  25   7.981   7.325  -5.656
  195   1HB   ARG  25           HBR      ARG  25   9.463   7.693  -8.253
  196   2HB   ARG  25           HBS      ARG  25   8.562   8.885  -7.274
  197   1HG   ARG  25           HGS      ARG  25  10.448   8.487  -5.517
  198   2HG   ARG  25           HGR      ARG  25  11.357   7.823  -6.904
  199   1HD   ARG  25           HDR      ARG  25  11.797  10.209  -6.495
  200   2HD   ARG  25           HDS      ARG  25  11.114   9.875  -8.112
  201    HE   ARG  25           HE       ARG  25   9.167  10.614  -6.060
  202   1HH1  ARG  25           HH1      ARG  25  11.461  11.893  -8.411
  203   2HH1  ARG  25           HH1      ARG  25  10.502  13.296  -8.746
  204   1HH2  ARG  25           HH2      ARG  25   7.882  12.397  -6.616
  205   2HH2  ARG  25           HH2      ARG  25   8.478  13.582  -7.730
  206    HA   PRO  26           HA       PRO  26   6.610   5.413  -9.878
  207   1HB   PRO  26           HBR      PRO  26   8.104   3.281 -10.623
  208   2HB   PRO  26           HBS      PRO  26   8.080   4.745 -11.366
  209   1HG   PRO  26           HGS      PRO  26  10.129   3.664  -9.941
  210   2HG   PRO  26           HGR      PRO  26  10.100   5.155 -10.688
  211   1HD   PRO  26           HDS      PRO  26   9.827   4.582  -7.974
  212   2HD   PRO  26           HDR      PRO  26  10.067   6.055  -8.690
  213    H    CYS  27           HN       CYS  27   7.915   3.321  -7.495
  214    HA   CYS  27           HA       CYS  27   6.476   1.047  -8.146
  215   1HB   CYS  27           HBS      CYS  27   7.887   2.021  -5.714
  216   2HB   CYS  27           HBR      CYS  27   6.783   0.629  -5.530
  217    H    LEU  28           HN       LEU  28   5.578   3.674  -5.930
  218    HA   LEU  28           HA       LEU  28   3.724   2.225  -4.438
  219   1HB   LEU  28           HBS      LEU  28   4.933   4.447  -4.037
  220   2HB   LEU  28           HBR      LEU  28   3.586   5.202  -4.934
  221    HG   LEU  28           HG       LEU  28   2.085   4.013  -3.173
  222   1HD1  LEU  28           HMD      LEU  28   4.434   2.974  -2.305
  223   2HD1  LEU  28           HMD      LEU  28   4.338   4.438  -1.293
  224   3HD1  LEU  28           HMD      LEU  28   3.017   3.243  -1.259
  225   1HD2  LEU  28           HMD      LEU  28   3.236   6.532  -3.489
  226   2HD2  LEU  28           HMD      LEU  28   1.855   6.116  -2.443
  227   3HD2  LEU  28           HMD      LEU  28   3.506   6.141  -1.772
  228    H    LYS  29           HN       LYS  29   2.357   1.019  -5.695
  229    HA   LYS  29           HA       LYS  29   0.437   2.478  -7.449
  230   1HB   LYS  29           HBS      LYS  29   2.510   1.400  -8.577
  231   2HB   LYS  29           HBR      LYS  29   1.700  -0.151  -8.213
  232   1HG   LYS  29           HGS      LYS  29  -0.362   1.010  -9.392
  233   2HG   LYS  29           HGR      LYS  29   0.907   2.033 -10.125
  234   1HD   LYS  29           HDR      LYS  29   1.835  -0.582 -10.351
  235   2HD   LYS  29           HDS      LYS  29   0.125  -0.742 -10.645
  236   1HE   LYS  29           HER      LYS  29   0.994  -0.386 -12.750
  237   2HE   LYS  29           HES      LYS  29   0.455   1.252 -12.281
  238   1HZ   LYS  29           HZB      LYS  29   3.122   0.657 -11.492
  239   2HZ   LYS  29           HZC      LYS  29   2.921   0.599 -13.112
  240   3HZ   LYS  29           HZA      LYS  29   2.535   1.956 -12.290
  241    H    CYS  30           HN       CYS  30  -1.573   1.653  -7.585
  242    HA   CYS  30           HA       CYS  30  -2.567  -0.278  -5.768
  243   1HB   CYS  30           HBS      CYS  30  -3.799   1.550  -7.104
  244   2HB   CYS  30           HBR      CYS  30  -3.890   0.317  -8.395
  245    H    GLU  31           HN       GLU  31  -2.390  -2.363  -5.703
  246    HA   GLU  31           HA       GLU  31  -1.862  -3.916  -8.193
  247   1HB   GLU  31           HBS      GLU  31  -0.731  -3.988  -5.812
  248   2HB   GLU  31           HBR      GLU  31  -2.002  -5.004  -5.403
  249   1HG   GLU  31           HGS      GLU  31  -1.050  -5.921  -7.915
  250   2HG   GLU  31           HGR      GLU  31   0.437  -5.547  -7.003
  251    H    LYS  32           HN       LYS  32  -4.381  -2.529  -7.558
  252    HA   LYS  32           HA       LYS  32  -6.161  -4.923  -7.565
  253   1HB   LYS  32           HBS      LYS  32  -6.096  -2.998  -5.645
  254   2HB   LYS  32           HBR      LYS  32  -7.272  -2.289  -6.789
  255   1HG   LYS  32           HGR      LYS  32  -7.449  -5.042  -5.498
  256   2HG   LYS  32           HGS      LYS  32  -8.409  -3.602  -5.056
  257   1HD   LYS  32           HDS      LYS  32  -9.572  -3.598  -7.096
  258   2HD   LYS  32           HDR      LYS  32  -8.443  -4.699  -7.837
  259   1HE   LYS  32           HER      LYS  32 -10.458  -5.331  -5.702
  260   2HE   LYS  32           HES      LYS  32 -10.429  -5.916  -7.391
  261   1HZ   LYS  32           HZB      LYS  32  -8.153  -6.827  -6.649
  262   2HZ   LYS  32           HZC      LYS  32  -8.770  -6.718  -5.142
  263   3HZ   LYS  32           HZA      LYS  32  -9.514  -7.642  -6.265
  264    H    CYS  33           HN       CYS  33  -5.914  -1.493  -8.578
  265    HA   CYS  33           HA       CYS  33  -7.339  -2.289 -11.059
  266   1HB   CYS  33           HBS      CYS  33  -8.026  -0.011 -11.307
  267   2HB   CYS  33           HBR      CYS  33  -8.491  -0.660  -9.712
  268    H    GLY  34           HN       GLY  34  -4.286  -1.411  -9.861
  269   1HA   GLY  34           HAR      GLY  34  -2.266  -1.072 -10.916
  270   2HA   GLY  34           HAS      GLY  34  -3.094  -1.374 -12.467
  271    H    LYS  35           HN       LYS  35  -3.758   1.119 -10.001
  272    HA   LYS  35           HA       LYS  35  -2.997   3.225 -11.970
  273   1HB   LYS  35           HBS      LYS  35  -5.320   3.316 -11.031
  274   2HB   LYS  35           HBR      LYS  35  -4.598   3.543  -9.411
  275   1HG   LYS  35           HGR      LYS  35  -3.465   5.606 -10.273
  276   2HG   LYS  35           HGS      LYS  35  -4.354   5.401 -11.809
  277   1HD   LYS  35           HDS      LYS  35  -6.482   5.493 -10.523
  278   2HD   LYS  35           HDR      LYS  35  -5.557   5.832  -9.086
  279   1HE   LYS  35           HES      LYS  35  -4.601   7.715 -10.861
  280   2HE   LYS  35           HER      LYS  35  -6.343   7.598 -11.239
  281   1HZ   LYS  35           HZC      LYS  35  -6.407   7.665  -8.618
  282   2HZ   LYS  35           HZA      LYS  35  -5.049   8.541  -8.848
  283   3HZ   LYS  35           HZB      LYS  35  -6.452   9.015  -9.536
  284    H    THR  36           HN       THR  36  -1.276   4.420 -11.598
  285    HA   THR  36           HA       THR  36   0.509   4.042  -9.379
  286    HB   THR  36           HB       THR  36   0.391   6.546 -11.127
  287    HG1  THR  36           HG1      THR  36   1.517   4.105 -11.526
  288   1HG2  THR  36           HMG      THR  36   2.624   5.087  -9.713
  289   2HG2  THR  36           HMG      THR  36   2.909   6.303 -10.985
  290   3HG2  THR  36           HMG      THR  36   2.061   6.763  -9.487
  291    H    LEU  37           HN       LEU  37   0.900   5.362  -7.629
  292    HA   LEU  37           HA       LEU  37  -1.566   6.720  -6.694
  293   1HB   LEU  37           HBS      LEU  37   0.662   5.332  -5.173
  294   2HB   LEU  37           HBR      LEU  37  -0.859   5.976  -4.491
  295    HG   LEU  37           HG       LEU  37  -0.698   3.710  -6.492
  296   1HD1  LEU  37           HMD      LEU  37  -0.608   3.799  -3.501
  297   2HD1  LEU  37           HMD      LEU  37  -1.548   2.506  -4.287
  298   3HD1  LEU  37           HMD      LEU  37   0.190   2.684  -4.639
  299   1HD2  LEU  37           HMD      LEU  37  -2.760   5.232  -6.263
  300   2HD2  LEU  37           HMD      LEU  37  -3.006   3.474  -6.112
  301   3HD2  LEU  37           HMD      LEU  37  -2.963   4.495  -4.653
  302    H    THR  38           HN       THR  38  -1.041   8.211  -4.744
  303    HA   THR  38           HA       THR  38   0.879  10.210  -5.834
  304    HB   THR  38           HB       THR  38  -1.592  11.090  -4.337
  305    HG1  THR  38           HG1      THR  38  -1.410  10.259  -6.917
  306   1HG2  THR  38           HMG      THR  38   0.248  12.211  -6.344
  307   2HG2  THR  38           HMG      THR  38  -1.472  12.603  -6.594
  308   3HG2  THR  38           HMG      THR  38  -0.683  13.003  -5.047
  309    H    SER  39           HN       SER  39   0.816  12.140  -4.038
  310    HA   SER  39           HA       SER  39   2.740  11.129  -2.253
  311   1HB   SER  39           HBS      SER  39   2.992  13.337  -3.013
  312   2HB   SER  39           HBR      SER  39   1.370  13.819  -2.437
  313    HG   SER  39           HG       SER  39   2.141  14.365  -0.640
  314    H    GLY  40           HN       GLY  40  -0.668  11.369  -1.962
  315   1HA   GLY  40           HAR      GLY  40  -0.727   9.728   0.310
  316   2HA   GLY  40           HAS      GLY  40  -0.996  11.394   0.887
  317    H    GLY  41           HN       GLY  41  -2.010   9.371  -1.904
  318   1HA   GLY  41           HAR      GLY  41  -4.831   9.742  -1.011
  319   2HA   GLY  41           HAS      GLY  41  -4.415   9.838  -2.742
  320    H    HIS  42           HN       HIS  42  -2.287   7.671  -1.383
  321    HA   HIS  42           HA       HIS  42  -3.959   5.376  -2.041
  322   1HB   HIS  42           HBS      HIS  42  -1.919   4.064  -1.975
  323   2HB   HIS  42           HBR      HIS  42  -1.652   5.550  -2.933
  324    HD1  HIS  42           HD1      HIS  42   0.001   3.581  -0.396
  325    HD2  HIS  42           HD2      HIS  42  -0.399   7.646  -1.213
  326    HE1  HIS  42           HE1      HIS  42   1.808   4.742   0.894
  327    HE2  HIS  42           HE2      HIS  42   1.590   7.200   0.382
  328    H    ALA  43           HN       ALA  43  -2.900   3.360  -0.587
  329    HA   ALA  43           HA       ALA  43  -2.220   3.922   2.056
  330   1HB   ALA  43           HMB      ALA  43  -5.101   3.081   1.706
  331   2HB   ALA  43           HMB      ALA  43  -4.184   2.791   3.205
  332   3HB   ALA  43           HMB      ALA  43  -4.443   4.455   2.628
  333    H    GLU  44           HN       GLU  44  -1.841   1.957   3.306
  334    HA   GLU  44           HA       GLU  44  -0.926  -0.066   1.323
  335   1HB   GLU  44           HBR      GLU  44   0.516   1.679   2.642
  336   2HB   GLU  44           HBS      GLU  44   0.219   0.695   3.968
  337   1HG   GLU  44           HGR      GLU  44   1.100  -1.280   2.280
  338   2HG   GLU  44           HGS      GLU  44   1.978   0.152   1.678
  339    H    HIS  45           HN       HIS  45  -1.677  -2.035   1.498
  340    HA   HIS  45           HA       HIS  45  -2.540  -3.227   4.049
  341   1HB   HIS  45           HBS      HIS  45  -1.952  -4.661   1.429
  342   2HB   HIS  45           HBR      HIS  45  -2.847  -5.281   2.847
  343    HD1  HIS  45           HD1      HIS  45  -3.289  -2.092   0.701
  344    HD2  HIS  45           HD2      HIS  45  -5.489  -5.101   2.550
  345    HE1  HIS  45           HE1      HIS  45  -5.686  -1.683   0.097
  346    HE2  HIS  45           HE2      HIS  45  -7.025  -3.506   1.210
  347    H    GLU  46           HN       GLU  46  -1.362  -5.012   4.940
  348    HA   GLU  46           HA       GLU  46   1.394  -4.275   5.388
  349   1HB   GLU  46           HBS      GLU  46  -0.487  -5.495   6.730
  350   2HB   GLU  46           HBR      GLU  46   0.108  -6.911   6.052
  351   1HG   GLU  46           HGS      GLU  46   2.243  -5.194   7.096
  352   2HG   GLU  46           HGR      GLU  46   1.066  -5.546   8.391
  353    H    GLY  47           HN       GLY  47   2.116  -4.290   3.164
  354   1HA   GLY  47           HAR      GLY  47   3.417  -6.466   2.006
  355   2HA   GLY  47           HAS      GLY  47   1.709  -6.612   1.508
  356    H    LYS  48           HN       LYS  48   0.853  -4.118   1.090
  357    HA   LYS  48           HA       LYS  48   2.535  -2.944  -1.022
  358   1HB   LYS  48           HBR      LYS  48   0.073  -4.615  -1.632
  359   2HB   LYS  48           HBS      LYS  48   0.913  -3.544  -2.787
  360   1HG   LYS  48           HGR      LYS  48   3.008  -4.981  -2.282
  361   2HG   LYS  48           HGS      LYS  48   1.855  -6.154  -1.582
  362   1HD   LYS  48           HDS      LYS  48   2.389  -6.719  -3.874
  363   2HD   LYS  48           HDR      LYS  48   0.698  -6.383  -3.628
  364   1HE   LYS  48           HER      LYS  48   1.771  -5.460  -5.721
  365   2HE   LYS  48           HES      LYS  48   0.766  -4.346  -4.752
  366   1HZ   LYS  48           HZB      LYS  48   3.670  -4.508  -4.413
  367   2HZ   LYS  48           HZC      LYS  48   2.989  -3.518  -5.519
  368   3HZ   LYS  48           HZA      LYS  48   2.659  -3.319  -3.932
  369    HA   PRO  49           HA       PRO  49  -0.367   0.382  -0.503
  370   1HB   PRO  49           HBR      PRO  49   0.523   1.772  -2.603
  371   2HB   PRO  49           HBS      PRO  49   1.091   1.937  -1.069
  372   1HG   PRO  49           HGS      PRO  49   2.389   0.859  -3.241
  373   2HG   PRO  49           HGR      PRO  49   3.020   1.188  -1.732
  374   1HD   PRO  49           HDS      PRO  49   2.252  -1.271  -2.757
  375   2HD   PRO  49           HDR      PRO  49   3.028  -0.964  -1.329
  376    H    TYR  50           HN       TYR  50  -2.214   1.247  -1.420
  377    HA   TYR  50           HA       TYR  50  -2.784   0.519  -4.172
  378   1HB   TYR  50           HBR      TYR  50  -4.794  -0.271  -2.030
  379   2HB   TYR  50           HBS      TYR  50  -4.954  -0.468  -3.799
  380    HD1  TYR  50           HD1      TYR  50  -2.768  -1.565  -0.939
  381    HD2  TYR  50           HD2      TYR  50  -4.506  -2.542  -4.695
  382    HE1  TYR  50           HE1      TYR  50  -2.040  -3.896  -0.663
  383    HE2  TYR  50           HE2      TYR  50  -3.758  -4.866  -4.448
  384    HH   TYR  50           HH       TYR  50  -3.225  -6.284  -1.703
  385    H    CYS  51           HN       CYS  51  -5.145   1.451  -4.626
  386    HA   CYS  51           HA       CYS  51  -5.530   4.093  -3.976
  387   1HB   CYS  51           HBS      CYS  51  -7.671   1.986  -4.357
  388   2HB   CYS  51           HBR      CYS  51  -7.955   3.748  -4.328
  389    H    ASN  52           HN       ASN  52  -6.027   5.262  -2.297
  390    HA   ASN  52           HA       ASN  52  -7.045   4.185   0.191
  391   1HB   ASN  52           HBR      ASN  52  -5.701   6.355  -0.177
  392   2HB   ASN  52           HBS      ASN  52  -7.287   7.066  -0.598
  393   1HD2  ASN  52           HD2      ASN  52  -7.304   7.887   2.852
  394   2HD2  ASN  52           HD2      ASN  52  -6.919   8.464   1.264
  395    H    HIS  53           HN       HIS  53  -8.364   5.485  -2.790
  396    HA   HIS  53           HA       HIS  53 -10.731   3.873  -2.269
  397   1HB   HIS  53           HBS      HIS  53 -10.961   6.873  -2.691
  398   2HB   HIS  53           HBR      HIS  53 -12.231   5.746  -3.250
  399    HD1  HIS  53           HD1      HIS  53 -14.061   5.416  -1.543
  400    HD2  HIS  53           HD2      HIS  53 -10.437   6.498   0.200
  401    HE1  HIS  53           HE1      HIS  53 -14.526   5.770   0.893
  402    HE2  HIS  53           HE2      HIS  53 -12.343   6.456   1.949
  403    HA   PRO  54           HA       PRO  54 -12.583   3.686  -3.215
  404   1HB   PRO  54           HBR      PRO  54 -13.701   1.860  -4.755
  405   2HB   PRO  54           HBS      PRO  54 -14.138   3.444  -4.791
  406   1HG   PRO  54           HGR      PRO  54 -12.862   2.019  -6.772
  407   2HG   PRO  54           HGS      PRO  54 -13.424   3.590  -6.826
  408   1HD   PRO  54           HDR      PRO  54 -10.806   2.685  -6.382
  409   2HD   PRO  54           HDS      PRO  54 -11.305   4.204  -6.814
  410    H    CYS  55           HN       CYS  55 -10.190   1.896  -4.727
  411    HA   CYS  55           HA       CYS  55 -11.044  -0.617  -4.334
  412   1HB   CYS  55           HBS      CYS  55  -8.142   0.251  -4.299
  413   2HB   CYS  55           HBR      CYS  55  -8.749  -1.395  -4.633
  414    H    TYR  56           HN       TYR  56  -8.947   1.131  -2.031
  415    HA   TYR  56           HA       TYR  56  -9.053  -0.918  -0.006
  416   1HB   TYR  56           HBR      TYR  56  -7.332   0.912  -0.129
  417   2HB   TYR  56           HBS      TYR  56  -8.599   2.062   0.386
  418    HD1  TYR  56           HD2      TYR  56  -9.620   1.807   2.648
  419    HD2  TYR  56           HD1      TYR  56  -6.192  -0.426   1.490
  420    HE1  TYR  56           HE2      TYR  56  -9.068   1.446   5.013
  421    HE2  TYR  56           HE1      TYR  56  -5.626  -0.795   3.853
  422    HH   TYR  56           HH       TYR  56  -7.674  -0.787   6.125
  423    H    SER  57           HN       SER  57 -10.984   1.954  -0.801
  424    HA   SER  57           HA       SER  57 -12.663   1.945   1.455
  425   1HB   SER  57           HBS      SER  57 -12.581   3.807  -0.083
  426   2HB   SER  57           HBR      SER  57 -13.291   2.808  -1.384
  427    HG   SER  57           HG       SER  57 -15.210   2.819  -0.558
  428    H    ALA  58           HN       ALA  58 -12.409  -0.284  -1.126
  429    HA   ALA  58           HA       ALA  58 -15.221  -1.111  -0.958
  430   1HB   ALA  58           HMB      ALA  58 -13.515  -0.775  -3.040
  431   2HB   ALA  58           HMB      ALA  58 -13.360  -2.529  -2.759
  432   3HB   ALA  58           HMB      ALA  58 -14.961  -1.816  -3.073
  433    H    MET  59           HN       MET  59 -11.957  -2.503  -0.570
  434    HA   MET  59           HA       MET  59 -13.093  -4.928   0.571
  435   1HB   MET  59           HBR      MET  59 -10.263  -4.021  -0.018
  436   2HB   MET  59           HBS      MET  59 -10.659  -5.587   0.737
  437   1HG   MET  59           HGR      MET  59 -11.950  -4.700  -1.866
  438   2HG   MET  59           HGS      MET  59 -10.357  -5.489  -1.868
  439   1HE   MET  59           HME      MET  59 -13.070  -6.248  -3.153
  440   2HE   MET  59           HME      MET  59 -11.972  -7.627  -3.415
  441   3HE   MET  59           HME      MET  59 -13.596  -7.899  -2.735
  442    H    PHE  60           HN       PHE  60 -11.855  -1.921   1.708
  443    HA   PHE  60           HA       PHE  60 -11.914  -2.826   4.516
  444   1HB   PHE  60           HBR      PHE  60  -9.413  -1.580   3.297
  445   2HB   PHE  60           HBS      PHE  60  -9.664  -2.072   4.997
  446    HD1  PHE  60           HD1      PHE  60  -9.334  -3.224   1.547
  447    HD2  PHE  60           HD2      PHE  60  -9.377  -4.441   5.630
  448    HE1  PHE  60           HE1      PHE  60  -8.435  -5.406   0.883
  449    HE2  PHE  60           HE2      PHE  60  -8.471  -6.651   4.986
  450    HZ   PHE  60           HZ       PHE  60  -7.946  -7.102   2.606
  451    H    GLY  61           HN       GLY  61 -13.429  -0.966   2.784
  452   1HA   GLY  61           HAR      GLY  61 -12.666   1.710   3.239
  453   2HA   GLY  61           HAS      GLY  61 -14.324   1.161   2.863
  454    HA   PRO  62           HA       PRO  62 -16.099   1.546   6.641
  455   1HB   PRO  62           HBR      PRO  62 -15.978  -0.906   7.939
  456   2HB   PRO  62           HBS      PRO  62 -17.276  -0.220   7.204
  457   1HG   PRO  62           HGS      PRO  62 -15.706  -2.265   6.269
  458   2HG   PRO  62           HGR      PRO  62 -17.106  -1.661   5.591
  459   1HD   PRO  62           HDS      PRO  62 -14.643  -1.347   4.575
  460   2HD   PRO  62           HDR      PRO  62 -15.974  -0.466   4.136
  461    H    LYS  63           HN       LYS  63 -15.187   3.075   7.748
  462    HA   LYS  63           HA       LYS  63 -13.183   2.233   9.785
  463   1HB   LYS  63           HBS      LYS  63 -12.735   4.234   8.256
  464   2HB   LYS  63           HBR      LYS  63 -14.034   5.069   9.159
  465   1HG   LYS  63           HGR      LYS  63 -12.019   5.751  10.193
  466   2HG   LYS  63           HGS      LYS  63 -12.700   4.504  11.277
  467   1HD   LYS  63           HDS      LYS  63 -10.953   3.185  11.060
  468   2HD   LYS  63           HDR      LYS  63 -11.019   3.275   9.321
  469   1HE   LYS  63           HES      LYS  63  -8.918   4.104   9.790
  470   2HE   LYS  63           HER      LYS  63  -9.913   5.570   9.554
  471   1HZ   LYS  63           HZB      LYS  63 -10.130   5.006  12.186
  472   2HZ   LYS  63           HZC      LYS  63  -8.561   4.678  11.874
  473   3HZ   LYS  63           HZA      LYS  63  -9.171   6.152  11.529
  474    H    GLY  64           HN       GLY  64 -13.473   3.021  11.944
  475   1HA   GLY  64           HAR      GLY  64 -14.746   3.411  13.876
  476   2HA   GLY  64           HAS      GLY  64 -16.185   3.703  12.861
  477    H    PHE  65           HN       PHE  65 -17.645   2.300  13.595
  478    HA   PHE  65           HA       PHE  65 -17.259  -0.575  13.349
  479   1HB   PHE  65           HBS      PHE  65 -17.918  -0.852  15.862
  480   2HB   PHE  65           HBR      PHE  65 -16.203  -0.613  15.420
  481    HD1  PHE  65           HD1      PHE  65 -15.080   1.403  15.833
  482    HD2  PHE  65           HD2      PHE  65 -19.109   0.928  17.138
  483    HE1  PHE  65           HE1      PHE  65 -14.842   3.403  17.231
  484    HE2  PHE  65           HE2      PHE  65 -18.893   2.940  18.559
  485    HZ   PHE  65           HZ       PHE  65 -16.764   4.209  18.550
  486    H    GLY  66           HN       GLY  66 -19.085  -1.037  12.389
  487   1HA   GLY  66           HAR      GLY  66 -21.602  -0.347  13.829
  488   2HA   GLY  66           HAS      GLY  66 -21.537  -0.290  12.047
  489    H    ARG  67           HN       ARG  67 -20.072  -2.561  14.394
  490    HA   ARG  67           HA       ARG  67 -20.887  -4.947  13.017
  491   1HB   ARG  67           HBR      ARG  67 -19.019  -4.743  14.711
  492   2HB   ARG  67           HBS      ARG  67 -20.284  -4.670  15.973
  493   1HG   ARG  67           HGS      ARG  67 -20.581  -6.885  15.943
  494   2HG   ARG  67           HGR      ARG  67 -20.631  -6.939  14.158
  495   1HD   ARG  67           HDS      ARG  67 -18.768  -8.207  15.316
  496   2HD   ARG  67           HDR      ARG  67 -18.314  -7.107  13.983
  497    HE   ARG  67           HE       ARG  67 -18.162  -5.743  16.487
  498   1HH1  ARG  67           HH1      ARG  67 -16.544  -8.396  14.822
  499   2HH1  ARG  67           HH1      ARG  67 -14.982  -7.975  15.438
  500   1HH2  ARG  67           HH2      ARG  67 -16.083  -5.145  17.168
  501   2HH2  ARG  67           HH2      ARG  67 -14.720  -6.136  16.767
  502    H    GLY  68           HN       GLY  68 -22.202  -3.047  15.731
  503   1HA   GLY  68           HAR      GLY  68 -24.851  -3.317  14.948
  504   2HA   GLY  68           HAS      GLY  68 -24.590  -4.625  16.133
  505    H    GLY  69           HN       GLY  69 -25.028  -4.116  18.151
  506   1HA   GLY  69           HAS      GLY  69 -23.835  -1.883  19.455
  507   2HA   GLY  69           HAR      GLY  69 -25.582  -1.581  19.265
  508    H    ALA  70           HN       ALA  70 -23.139  -3.745  20.620
  509    HA   ALA  70           HA       ALA  70 -25.244  -5.129  22.205
  510   1HB   ALA  70           HMB      ALA  70 -22.917  -6.001  20.669
  511   2HB   ALA  70           HMB      ALA  70 -22.946  -6.658  22.325
  512   3HB   ALA  70           HMB      ALA  70 -24.336  -6.916  21.240
  513    H    GLU  71           HN       GLU  71 -24.562  -5.941  24.317
  514    HA   GLU  71           HA       GLU  71 -22.578  -4.160  25.669
  515   1HB   GLU  71           HBR      GLU  71 -25.120  -5.503  26.528
  516   2HB   GLU  71           HBS      GLU  71 -23.868  -5.342  27.634
  517   1HG   GLU  71           HGR      GLU  71 -25.021  -2.915  26.189
  518   2HG   GLU  71           HGS      GLU  71 -25.468  -3.487  27.819
  519    H    SER  72           HN       SER  72 -21.990  -5.591  27.833
  520    HA   SER  72           HA       SER  72 -20.452  -7.794  26.586
  521   1HB   SER  72           HBS      SER  72 -19.448  -5.626  27.696
  522   2HB   SER  72           HBR      SER  72 -19.678  -6.563  29.202
  523    HG   SER  72           HG       SER  72 -18.511  -7.677  26.802
  524    H    HIS  73           HN       HIS  73 -19.473  -8.931  28.933
  525    HA   HIS  73           HA       HIS  73 -21.846 -10.585  29.514
  526   1HB   HIS  73           HBR      HIS  73 -20.037 -12.265  30.284
  527   2HB   HIS  73           HBS      HIS  73 -20.214 -11.950  28.533
  528    HD1  HIS  73           HD1      HIS  73 -17.943 -11.754  27.438
  529    HD2  HIS  73           HD2      HIS  73 -17.962 -10.249  31.322
  530    HE1  HIS  73           HE1      HIS  73 -15.669 -10.777  27.828
  531    HE2  HIS  73           HE2      HIS  73 -15.681  -9.845  30.169
  532    H    THR  74           HN       THR  74 -22.653 -10.856  31.457
  533    HA   THR  74           HA       THR  74 -23.072 -10.561  33.673
  534    HB   THR  74           HB       THR  74 -21.399 -12.381  33.716
  535    HG1  THR  74           HG1      THR  74 -21.097 -10.462  35.611
  536   1HG2  THR  74           HMG      THR  74 -19.410 -11.261  32.832
  537   2HG2  THR  74           HMG      THR  74 -19.293 -10.285  34.322
  538   3HG2  THR  74           HMG      THR  74 -19.103 -12.054  34.396
  539    H    PHE  75           HN       PHE  75 -23.721  -8.491  33.805
  540    HA   PHE  75           HA       PHE  75 -21.792  -6.361  34.450
  541   1HB   PHE  75           HBR      PHE  75 -24.842  -6.331  34.432
  542   2HB   PHE  75           HBS      PHE  75 -23.796  -4.945  34.853
  543    HD1  PHE  75           HD1      PHE  75 -22.211  -4.091  33.206
  544    HD2  PHE  75           HD2      PHE  75 -25.359  -6.737  32.091
  545    HE1  PHE  75           HE1      PHE  75 -21.905  -3.434  30.863
  546    HE2  PHE  75           HE2      PHE  75 -25.072  -6.089  29.722
  547    HZ   PHE  75           HZ       PHE  75 -23.294  -4.474  29.111
  548    H    LYS  76           HN       LYS  76 -22.945  -5.011  36.438
  549    HA   LYS  76           HA       LYS  76 -23.699  -6.851  38.604
  550   1HB   LYS  76           HBR      LYS  76 -21.359  -4.935  38.781
  551   2HB   LYS  76           HBS      LYS  76 -22.232  -5.564  40.207
  552   1HG   LYS  76           HGR      LYS  76 -20.642  -7.153  38.159
  553   2HG   LYS  76           HGS      LYS  76 -20.248  -6.893  39.883
  554   1HD   LYS  76           HDS      LYS  76 -22.728  -8.331  38.947
  555   2HD   LYS  76           HDR      LYS  76 -21.203  -9.130  39.220
  556   1HE   LYS  76           HES      LYS  76 -21.878  -7.470  41.484
  557   2HE   LYS  76           HER      LYS  76 -23.180  -8.627  41.091
  558   1HZ   LYS  76           HZC      LYS  76 -21.207 -10.248  40.943
  559   2HZ   LYS  76           HZA      LYS  76 -20.434  -9.160  41.884
  560   3HZ   LYS  76           HZB      LYS  76 -21.819  -9.854  42.405
   
  No H/Q in entry =         560
  Start of MODEL    3
    1    H    PRO   1           HN       PRO   1  15.474   2.457   6.090
    2    HA   PRO   1           HA       PRO   1  13.399   3.050   5.293
    3   1HB   PRO   1           HBS      PRO   1  14.064   4.929   3.370
    4   2HB   PRO   1           HBR      PRO   1  13.076   5.135   4.665
    5   1HG   PRO   1           HGS      PRO   1  15.488   6.230   4.348
    6   2HG   PRO   1           HGR      PRO   1  14.654   6.166   5.792
    7   1HD   PRO   1           HDS      PRO   1  16.861   4.628   4.975
    8   2HD   PRO   1           HDR      PRO   1  16.299   4.887   6.509
    9    H    LYS   2           HN       LYS   2  12.953   1.168   4.466
   10    HA   LYS   2           HA       LYS   2  14.125   0.614   1.782
   11   1HB   LYS   2           HBR      LYS   2  13.852  -1.862   2.571
   12   2HB   LYS   2           HBS      LYS   2  15.316  -0.927   2.991
   13   1HG   LYS   2           HGS      LYS   2  13.432  -0.490   5.075
   14   2HG   LYS   2           HGR      LYS   2  13.430  -2.243   4.731
   15   1HD   LYS   2           HDS      LYS   2  16.115  -1.576   4.726
   16   2HD   LYS   2           HDR      LYS   2  15.463  -0.490   5.922
   17   1HE   LYS   2           HES      LYS   2  16.179  -2.442   7.060
   18   2HE   LYS   2           HER      LYS   2  14.393  -2.410   7.062
   19   1HZ   LYS   2           HZA      LYS   2  16.040  -3.957   5.180
   20   2HZ   LYS   2           HZB      LYS   2  15.310  -4.573   6.505
   21   3HZ   LYS   2           HZC      LYS   2  14.409  -3.974   5.281
   22    H    CYS   3           HN       CYS   3  12.852  -0.706   0.429
   23    HA   CYS   3           HA       CYS   3  10.217   0.264   0.527
   24   1HB   CYS   3           HBS      CYS   3  11.734   0.061  -1.448
   25   2HB   CYS   3           HBR      CYS   3  11.403  -1.695  -1.443
   26    HA   PRO   4           HA       PRO   4   8.120  -3.296   2.226
   27   1HB   PRO   4           HBR      PRO   4   5.720  -2.040   1.920
   28   2HB   PRO   4           HBS      PRO   4   6.550  -2.219   3.325
   29   1HG   PRO   4           HGS      PRO   4   6.105   0.094   2.051
   30   2HG   PRO   4           HGR      PRO   4   7.154  -0.126   3.330
   31   1HD   PRO   4           HDS      PRO   4   7.747   0.072   0.571
   32   2HD   PRO   4           HDR      PRO   4   8.722   0.425   1.860
   33    H    LYS   5           HN       LYS   5   7.944  -1.873  -0.774
   34    HA   LYS   5           HA       LYS   5   5.826  -3.619  -1.841
   35   1HB   LYS   5           HBR      LYS   5   6.629  -1.124  -2.546
   36   2HB   LYS   5           HBS      LYS   5   7.583  -2.113  -3.689
   37   1HG   LYS   5           HGS      LYS   5   4.559  -2.172  -3.337
   38   2HG   LYS   5           HGR      LYS   5   5.455  -1.428  -4.692
   39   1HD   LYS   5           HDR      LYS   5   6.059  -3.470  -5.563
   40   2HD   LYS   5           HDS      LYS   5   5.891  -4.321  -4.052
   41   1HE   LYS   5           HER      LYS   5   3.508  -3.114  -5.414
   42   2HE   LYS   5           HES      LYS   5   4.160  -4.690  -5.944
   43   1HZ   LYS   5           HZB      LYS   5   4.000  -4.934  -3.281
   44   2HZ   LYS   5           HZC      LYS   5   2.670  -4.043  -3.608
   45   3HZ   LYS   5           HZA      LYS   5   2.887  -5.486  -4.342
   46    H    CYS   6           HN       CYS   6   9.139  -2.877  -2.979
   47    HA   CYS   6           HA       CYS   6   9.119  -5.510  -4.267
   48   1HB   CYS   6           HBS      CYS   6  11.011  -4.703  -5.558
   49   2HB   CYS   6           HBR      CYS   6   9.592  -3.623  -5.655
   50    H    ASP   7           HN       ASP   7  10.437  -4.056  -1.483
   51    HA   ASP   7           HA       ASP   7  11.987  -4.657   0.047
   52   1HB   ASP   7           HBS      ASP   7  10.878  -6.928  -0.410
   53   2HB   ASP   7           HBR      ASP   7  12.387  -7.313  -1.283
   54    H    LYS   8           HN       LYS   8  12.829  -2.993  -1.804
   55    HA   LYS   8           HA       LYS   8  15.708  -3.774  -1.875
   56   1HB   LYS   8           HBR      LYS   8  14.125  -2.182  -3.744
   57   2HB   LYS   8           HBS      LYS   8  15.503  -1.265  -3.068
   58   1HG   LYS   8           HGS      LYS   8  16.488  -3.843  -3.760
   59   2HG   LYS   8           HGR      LYS   8  15.487  -3.281  -5.131
   60   1HD   LYS   8           HDS      LYS   8  16.796  -1.115  -5.003
   61   2HD   LYS   8           HDR      LYS   8  17.817  -1.879  -3.816
   62   1HE   LYS   8           HES      LYS   8  17.447  -3.349  -6.362
   63   2HE   LYS   8           HER      LYS   8  18.405  -1.840  -6.396
   64   1HZ   LYS   8           HZA      LYS   8  19.074  -3.528  -4.219
   65   2HZ   LYS   8           HZB      LYS   8  19.307  -4.268  -5.657
   66   3HZ   LYS   8           HZC      LYS   8  20.043  -2.844  -5.343
   67    H    GLU   9           HN       GLU   9  16.828  -1.322  -1.698
   68    HA   GLU   9           HA       GLU   9  15.538   0.055   0.620
   69   1HB   GLU   9           HBS      GLU   9  18.281   0.658  -0.235
   70   2HB   GLU   9           HBR      GLU   9  17.614   0.864   1.286
   71   1HG   GLU   9           HGS      GLU   9  18.737  -0.998   1.901
   72   2HG   GLU   9           HGR      GLU   9  17.607  -1.982   0.931
   73    H    VAL  10           HN       VAL  10  15.548   2.368   0.482
   74    HA   VAL  10           HA       VAL  10  15.019   3.079  -2.349
   75    HB   VAL  10           HB       VAL  10  13.612   3.760   0.233
   76   1HG1  VAL  10           HMG      VAL  10  13.763   5.744  -1.389
   77   2HG1  VAL  10           HMG      VAL  10  12.688   4.794  -2.444
   78   3HG1  VAL  10           HMG      VAL  10  12.152   5.254  -0.810
   79   1HG2  VAL  10           HMG      VAL  10  13.329   1.619  -1.439
   80   2HG2  VAL  10           HMG      VAL  10  12.095   2.239  -0.317
   81   3HG2  VAL  10           HMG      VAL  10  12.062   2.735  -2.024
   82    H    TYR  11           HN       TYR  11  16.203   4.544  -3.252
   83    HA   TYR  11           HA       TYR  11  18.039   6.202  -1.636
   84   1HB   TYR  11           HBR      TYR  11  18.132   5.056  -4.246
   85   2HB   TYR  11           HBS      TYR  11  18.098   6.832  -4.438
   86    HD1  TYR  11           HD1      TYR  11  19.607   7.512  -1.856
   87    HD2  TYR  11           HD2      TYR  11  20.375   4.656  -4.914
   88    HE1  TYR  11           HE1      TYR  11  22.005   7.591  -1.323
   89    HE2  TYR  11           HE2      TYR  11  22.762   4.676  -4.346
   90    HH   TYR  11           HH       TYR  11  24.047   7.025  -1.991
   91    H    PHE  12           HN       PHE  12  18.158   8.521  -2.200
   92    HA   PHE  12           HA       PHE  12  15.893   9.531  -1.095
   93   1HB   PHE  12           HBS      PHE  12  18.396  10.650  -1.889
   94   2HB   PHE  12           HBR      PHE  12  17.113  11.746  -2.478
   95    HD1  PHE  12           HD2      PHE  12  15.073  11.272  -0.228
   96    HD2  PHE  12           HD1      PHE  12  19.280  11.952  -0.239
   97    HE1  PHE  12           HE2      PHE  12  14.928  12.174   2.070
   98    HE2  PHE  12           HE1      PHE  12  19.162  12.853   2.040
   99    HZ   PHE  12           HZ       PHE  12  16.981  13.007   3.180
  100    H    ALA  13           HN       ALA  13  16.908  10.736  -4.306
  101    HA   ALA  13           HA       ALA  13  14.472  11.718  -4.944
  102   1HB   ALA  13           HMB      ALA  13  16.922  10.983  -6.457
  103   2HB   ALA  13           HMB      ALA  13  15.464  11.307  -7.430
  104   3HB   ALA  13           HMB      ALA  13  16.090  12.553  -6.320
  105    H    GLU  14           HN       GLU  14  15.133   8.462  -4.810
  106    HA   GLU  14           HA       GLU  14  12.824   7.803  -6.595
  107   1HB   GLU  14           HBR      GLU  14  13.664   5.522  -6.537
  108   2HB   GLU  14           HBS      GLU  14  14.679   6.632  -7.280
  109   1HG   GLU  14           HGS      GLU  14  16.094   6.859  -5.291
  110   2HG   GLU  14           HGR      GLU  14  15.190   5.561  -4.469
  111    H    ARG  15           HN       ARG  15  12.673   9.098  -4.039
  112    HA   ARG  15           HA       ARG  15  11.516   6.946  -2.378
  113   1HB   ARG  15           HBR      ARG  15  11.596   8.459  -0.556
  114   2HB   ARG  15           HBS      ARG  15  13.159   8.572  -1.415
  115   1HG   ARG  15           HGR      ARG  15  12.824  10.784  -1.114
  116   2HG   ARG  15           HGS      ARG  15  11.851  10.611  -2.601
  117   1HD   ARG  15           HDS      ARG  15  10.345  11.685  -1.306
  118   2HD   ARG  15           HDR      ARG  15   9.968  10.001  -0.848
  119    HE   ARG  15           HE       ARG  15  11.156  10.340   1.216
  120   1HH1  ARG  15           HH1      ARG  15  11.082  13.256  -0.767
  121   2HH1  ARG  15           HH1      ARG  15  11.250  14.315   0.593
  122   1HH2  ARG  15           HH2      ARG  15  11.244  11.762   2.980
  123   2HH2  ARG  15           HH2      ARG  15  11.345  13.470   2.713
  124    H    VAL  16           HN       VAL  16   9.452   6.859  -1.715
  125    HA   VAL  16           HA       VAL  16   7.910   9.300  -1.746
  126    HB   VAL  16           HB       VAL  16   5.877   8.439  -2.661
  127   1HG1  VAL  16           HMG      VAL  16   7.680   9.410  -4.189
  128   2HG1  VAL  16           HMG      VAL  16   7.954   7.737  -4.735
  129   3HG1  VAL  16           HMG      VAL  16   6.358   8.494  -4.951
  130   1HG2  VAL  16           HMG      VAL  16   7.364   5.837  -2.953
  131   2HG2  VAL  16           HMG      VAL  16   5.809   6.167  -2.154
  132   3HG2  VAL  16           HMG      VAL  16   5.925   6.218  -3.929
  133    H    THR  17           HN       THR  17   7.106   9.558   0.190
  134    HA   THR  17           HA       THR  17   7.641   7.316   2.057
  135    HB   THR  17           HB       THR  17   7.570  10.353   2.510
  136    HG1  THR  17           HG1      THR  17   9.442   8.388   2.649
  137   1HG2  THR  17           HMG      THR  17   7.661   8.108   4.453
  138   2HG2  THR  17           HMG      THR  17   8.778   9.470   4.728
  139   3HG2  THR  17           HMG      THR  17   7.024   9.765   4.619
  140    H    SER  18           HN       SER  18   6.222   6.683   3.595
  141    HA   SER  18           HA       SER  18   3.491   7.677   3.763
  142   1HB   SER  18           HBR      SER  18   3.356   6.851   1.527
  143   2HB   SER  18           HBS      SER  18   4.189   5.335   1.979
  144    HG   SER  18           HG       SER  18   1.533   6.285   2.388
  145    H    LEU  19           HN       LEU  19   2.562   6.942   5.530
  146    HA   LEU  19           HA       LEU  19   1.954   5.601   7.279
  147   1HB   LEU  19           HBR      LEU  19   2.653   3.826   4.967
  148   2HB   LEU  19           HBS      LEU  19   2.204   3.084   6.528
  149    HG   LEU  19           HG       LEU  19   0.016   3.979   6.434
  150   1HD1  LEU  19           HMD      LEU  19   1.250   5.879   4.556
  151   2HD1  LEU  19           HMD      LEU  19  -0.337   5.264   4.028
  152   3HD1  LEU  19           HMD      LEU  19  -0.173   6.063   5.613
  153   1HD2  LEU  19           HMD      LEU  19   1.121   2.781   3.912
  154   2HD2  LEU  19           HMD      LEU  19   0.051   2.065   5.145
  155   3HD2  LEU  19           HMD      LEU  19  -0.597   3.252   3.985
  156    H    GLY  20           HN       GLY  20   4.890   6.425   6.953
  157   1HA   GLY  20           HAR      GLY  20   6.012   6.509   9.080
  158   2HA   GLY  20           HAS      GLY  20   5.745   4.755   9.267
  159    H    LYS  21           HN       LYS  21   6.436   4.677   6.207
  160    HA   LYS  21           HA       LYS  21   9.353   4.819   6.415
  161   1HB   LYS  21           HBR      LYS  21   7.863   2.201   6.201
  162   2HB   LYS  21           HBS      LYS  21   9.481   2.423   5.477
  163   1HG   LYS  21           HGS      LYS  21   8.973   3.070   8.388
  164   2HG   LYS  21           HGR      LYS  21   9.303   1.395   7.855
  165   1HD   LYS  21           HDR      LYS  21  11.443   1.852   7.990
  166   2HD   LYS  21           HDS      LYS  21  11.274   2.915   6.621
  167   1HE   LYS  21           HES      LYS  21  10.510   4.629   8.514
  168   2HE   LYS  21           HER      LYS  21  11.476   3.515   9.522
  169   1HZ   LYS  21           HZA      LYS  21  13.270   3.843   7.889
  170   2HZ   LYS  21           HZB      LYS  21  12.387   5.012   7.167
  171   3HZ   LYS  21           HZC      LYS  21  12.882   5.199   8.712
  172    H    ASP  22           HN       ASP  22  10.374   4.429   4.349
  173    HA   ASP  22           HA       ASP  22   8.785   5.878   2.426
  174   1HB   ASP  22           HBS      ASP  22  11.658   5.080   2.060
  175   2HB   ASP  22           HBR      ASP  22  10.772   6.471   1.375
  176    H    TRP  23           HN       TRP  23   9.049   5.434   0.066
  177    HA   TRP  23           HA       TRP  23   9.335   2.548  -0.593
  178   1HB   TRP  23           HBR      TRP  23   7.156   4.447  -1.481
  179   2HB   TRP  23           HBS      TRP  23   7.311   2.712  -1.913
  180    HD1  TRP  23           HD1      TRP  23   6.591   5.015   1.109
  181    HE1  TRP  23           HE1      TRP  23   4.902   3.824   2.643
  182    HE3  TRP  23           HE3      TRP  23   6.271   0.611  -1.414
  183    HZ2  TRP  23           HZ2      TRP  23   3.465   1.413   2.620
  184    HZ3  TRP  23           HZ3      TRP  23   4.740  -1.111  -0.578
  185    HH2  TRP  23           HH2      TRP  23   3.296  -0.694   1.342
  186    H    HIS  24           HN       ZHI  24   9.188   2.343  -3.103
  187    HA   HIS  24           HA       ZHI  24  10.863   4.389  -4.361
  188   1HB   HIS  24           HBS      ZHI  24   9.789   1.761  -5.478
  189   2HB   HIS  24           HBR      ZHI  24  10.895   2.881  -6.327
  190    HD2  HIS  24           HD2      ZHI  24  13.107   3.460  -4.161
  191    HE1  HIS  24           HE1      ZHI  24  13.011  -0.514  -2.865
  192    HE2  HIS  24           HE2      ZHI  24  14.461   1.534  -3.086
  193    H    ARG  25           HN       ARG  25  10.371   5.342  -6.390
  194    HA   ARG  25           HA       ARG  25   7.828   6.578  -6.420
  195   1HB   ARG  25           HBR      ARG  25  10.274   7.024  -7.657
  196   2HB   ARG  25           HBS      ARG  25   9.190   6.597  -9.011
  197   1HG   ARG  25           HGS      ARG  25   7.592   8.355  -8.113
  198   2HG   ARG  25           HGR      ARG  25   8.918   8.878  -7.037
  199   1HD   ARG  25           HDR      ARG  25   8.734  10.176  -9.137
  200   2HD   ARG  25           HDS      ARG  25  10.317   9.383  -8.894
  201    HE   ARG  25           HE       ARG  25   8.261   8.099 -10.605
  202   1HH1  ARG  25           HH1      ARG  25  11.303   9.866 -10.368
  203   2HH1  ARG  25           HH1      ARG  25  11.896   9.264 -11.880
  204   1HH2  ARG  25           HH2      ARG  25   9.123   7.233 -12.514
  205   2HH2  ARG  25           HH2      ARG  25  10.663   7.775 -13.096
  206    HA   PRO  26           HA       PRO  26   6.904   3.897 -10.294
  207   1HB   PRO  26           HBR      PRO  26   8.502   1.766 -10.665
  208   2HB   PRO  26           HBS      PRO  26   8.557   3.153 -11.540
  209   1HG   PRO  26           HGS      PRO  26  10.323   2.280  -9.565
  210   2HG   PRO  26           HGR      PRO  26  10.582   3.412 -10.764
  211   1HD   PRO  26           HDS      PRO  26  10.178   3.983  -8.178
  212   2HD   PRO  26           HDR      PRO  26  10.053   5.068  -9.421
  213    H    CYS  27           HN       CYS  27   7.759   2.626  -7.325
  214    HA   CYS  27           HA       CYS  27   6.436   0.098  -7.659
  215   1HB   CYS  27           HBS      CYS  27   7.875   1.530  -5.483
  216   2HB   CYS  27           HBR      CYS  27   6.728   0.243  -5.011
  217    H    LEU  28           HN       LEU  28   5.681   3.048  -5.785
  218    HA   LEU  28           HA       LEU  28   3.560   1.849  -4.365
  219   1HB   LEU  28           HBR      LEU  28   5.065   3.891  -3.899
  220   2HB   LEU  28           HBS      LEU  28   3.863   4.811  -4.847
  221    HG   LEU  28           HG       LEU  28   2.241   3.578  -3.065
  222   1HD1  LEU  28           HMD      LEU  28   4.974   3.819  -1.843
  223   2HD1  LEU  28           HMD      LEU  28   3.532   4.142  -0.848
  224   3HD1  LEU  28           HMD      LEU  28   3.738   2.555  -1.629
  225   1HD2  LEU  28           HMD      LEU  28   3.529   6.180  -3.445
  226   2HD2  LEU  28           HMD      LEU  28   1.831   5.781  -3.082
  227   3HD2  LEU  28           HMD      LEU  28   3.021   5.895  -1.760
  228    H    LYS  29           HN       LYS  29   2.244   0.819  -5.885
  229    HA   LYS  29           HA       LYS  29   0.509   2.622  -7.509
  230   1HB   LYS  29           HBR      LYS  29   0.494   0.760  -9.208
  231   2HB   LYS  29           HBS      LYS  29   2.010   1.697  -9.079
  232   1HG   LYS  29           HGR      LYS  29   3.165  -0.185  -8.752
  233   2HG   LYS  29           HGS      LYS  29   2.182  -0.553  -7.306
  234   1HD   LYS  29           HDR      LYS  29   0.479  -1.562  -8.757
  235   2HD   LYS  29           HDS      LYS  29   1.491  -1.300 -10.150
  236   1HE   LYS  29           HES      LYS  29   2.977  -2.958  -9.552
  237   2HE   LYS  29           HER      LYS  29   2.619  -2.768  -7.813
  238   1HZ   LYS  29           HZA      LYS  29   0.368  -3.616  -9.307
  239   2HZ   LYS  29           HZB      LYS  29   1.610  -4.666  -9.443
  240   3HZ   LYS  29           HZC      LYS  29   1.033  -4.270  -7.967
  241    H    CYS  30           HN       CYS  30  -1.588   1.975  -7.801
  242    HA   CYS  30           HA       CYS  30  -2.823   0.251  -5.876
  243   1HB   CYS  30           HBS      CYS  30  -3.844   2.201  -7.194
  244   2HB   CYS  30           HBR      CYS  30  -4.054   1.009  -8.510
  245    H    GLU  31           HN       GLU  31  -2.810  -1.849  -5.798
  246    HA   GLU  31           HA       GLU  31  -2.501  -3.474  -8.229
  247   1HB   GLU  31           HBR      GLU  31  -1.941  -3.668  -5.469
  248   2HB   GLU  31           HBS      GLU  31  -3.209  -4.734  -5.727
  249   1HG   GLU  31           HGS      GLU  31  -0.503  -4.850  -6.979
  250   2HG   GLU  31           HGR      GLU  31  -1.310  -6.153  -6.066
  251    H    LYS  32           HN       LYS  32  -4.901  -1.744  -7.763
  252    HA   LYS  32           HA       LYS  32  -6.852  -3.916  -8.390
  253   1HB   LYS  32           HBR      LYS  32  -7.005  -1.887  -6.398
  254   2HB   LYS  32           HBS      LYS  32  -8.167  -1.470  -7.691
  255   1HG   LYS  32           HGR      LYS  32  -8.039  -4.024  -6.048
  256   2HG   LYS  32           HGS      LYS  32  -9.336  -2.794  -6.070
  257   1HD   LYS  32           HDS      LYS  32  -8.676  -4.119  -8.643
  258   2HD   LYS  32           HDR      LYS  32  -9.413  -5.108  -7.414
  259   1HE   LYS  32           HES      LYS  32 -11.389  -4.344  -8.016
  260   2HE   LYS  32           HER      LYS  32 -10.892  -2.746  -7.391
  261   1HZ   LYS  32           HZB      LYS  32  -9.839  -3.252  -9.958
  262   2HZ   LYS  32           HZC      LYS  32 -11.468  -3.362  -9.967
  263   3HZ   LYS  32           HZA      LYS  32 -10.745  -1.996  -9.439
  264    H    CYS  33           HN       CYS  33  -6.387  -0.377  -8.791
  265    HA   CYS  33           HA       CYS  33  -7.550  -0.679 -11.474
  266   1HB   CYS  33           HBS      CYS  33  -8.051   1.640 -11.418
  267   2HB   CYS  33           HBR      CYS  33  -8.599   0.846  -9.918
  268    H    GLY  34           HN       GLY  34  -4.493  -0.329 -10.064
  269   1HA   GLY  34           HAR      GLY  34  -2.411  -0.259 -11.035
  270   2HA   GLY  34           HAS      GLY  34  -3.234  -0.386 -12.613
  271    H    LYS  35           HN       LYS  35  -3.802   2.176 -10.240
  272    HA   LYS  35           HA       LYS  35  -2.407   4.107 -12.030
  273   1HB   LYS  35           HBS      LYS  35  -5.007   4.146 -11.352
  274   2HB   LYS  35           HBR      LYS  35  -4.333   5.041  -9.961
  275   1HG   LYS  35           HGR      LYS  35  -5.094   6.502 -11.854
  276   2HG   LYS  35           HGS      LYS  35  -3.375   6.711 -11.415
  277   1HD   LYS  35           HDR      LYS  35  -2.732   6.276 -13.436
  278   2HD   LYS  35           HDS      LYS  35  -3.470   4.697 -13.390
  279   1HE   LYS  35           HES      LYS  35  -5.531   5.557 -14.275
  280   2HE   LYS  35           HER      LYS  35  -4.950   7.234 -14.072
  281   1HZ   LYS  35           HZC      LYS  35  -3.281   5.543 -15.673
  282   2HZ   LYS  35           HZA      LYS  35  -4.748   5.849 -16.319
  283   3HZ   LYS  35           HZB      LYS  35  -3.756   7.085 -15.923
  284    H    THR  36           HN       THR  36  -0.938   5.489 -11.240
  285    HA   THR  36           HA       THR  36   0.541   4.542  -9.024
  286    HB   THR  36           HB       THR  36   0.877   7.216 -10.498
  287    HG1  THR  36           HG1      THR  36   1.727   6.301 -11.857
  288   1HG2  THR  36           HMG      THR  36   2.499   5.813  -8.479
  289   2HG2  THR  36           HMG      THR  36   3.393   6.331  -9.930
  290   3HG2  THR  36           HMG      THR  36   2.489   7.527  -8.967
  291    H    LEU  37           HN       LEU  37   1.264   5.758  -7.170
  292    HA   LEU  37           HA       LEU  37  -0.973   7.349  -6.009
  293   1HB   LEU  37           HBR      LEU  37   0.805   5.401  -4.537
  294   2HB   LEU  37           HBS      LEU  37  -0.780   6.072  -4.053
  295    HG   LEU  37           HG       LEU  37  -0.495   4.232  -6.424
  296   1HD1  LEU  37           HMD      LEU  37  -0.535   3.596  -3.492
  297   2HD1  LEU  37           HMD      LEU  37  -1.428   2.548  -4.622
  298   3HD1  LEU  37           HMD      LEU  37   0.326   2.788  -4.826
  299   1HD2  LEU  37           HMD      LEU  37  -2.595   5.618  -4.939
  300   2HD2  LEU  37           HMD      LEU  37  -2.643   4.847  -6.545
  301   3HD2  LEU  37           HMD      LEU  37  -2.900   3.868  -5.080
  302    H    THR  38           HN       THR  38  -0.507   9.228  -5.157
  303    HA   THR  38           HA       THR  38   2.309  10.136  -5.190
  304    HB   THR  38           HB       THR  38   0.432  11.530  -6.256
  305    HG1  THR  38           HG1      THR  38   2.228  12.142  -5.900
  306   1HG2  THR  38           HMG      THR  38  -1.214  11.247  -4.361
  307   2HG2  THR  38           HMG      THR  38  -0.194  12.363  -3.418
  308   3HG2  THR  38           HMG      THR  38  -0.962  12.917  -4.928
  309    H    SER  39           HN       SER  39   2.277  12.060  -3.292
  310    HA   SER  39           HA       SER  39   3.014  10.413  -1.094
  311   1HB   SER  39           HBS      SER  39   4.359  12.294  -1.676
  312   2HB   SER  39           HBR      SER  39   3.000  13.427  -1.418
  313    HG   SER  39           HG       SER  39   4.635  11.887   0.381
  314    H    GLY  40           HN       GLY  40   0.893   9.482  -0.675
  315   1HA   GLY  40           HAR      GLY  40  -0.348   9.160   1.269
  316   2HA   GLY  40           HAS      GLY  40  -0.208  10.901   1.641
  317    H    GLY  41           HN       GLY  41  -1.438   9.098  -1.200
  318   1HA   GLY  41           HAR      GLY  41  -4.205   9.860  -0.387
  319   2HA   GLY  41           HAS      GLY  41  -3.712   9.962  -2.096
  320    H    HIS  42           HN       HIS  42  -1.994   7.440  -0.780
  321    HA   HIS  42           HA       HIS  42  -4.013   5.482  -1.582
  322   1HB   HIS  42           HBS      HIS  42  -2.158   3.947  -1.877
  323   2HB   HIS  42           HBR      HIS  42  -1.772   5.508  -2.659
  324    HD1  HIS  42           HD1      HIS  42  -0.343   3.056  -0.329
  325    HD2  HIS  42           HD2      HIS  42  -0.151   7.191  -0.799
  326    HE1  HIS  42           HE1      HIS  42   1.624   3.833   1.017
  327    HE2  HIS  42           HE2      HIS  42   1.843   6.310   0.596
  328    H    ALA  43           HN       ALA  43  -3.135   3.192  -0.452
  329    HA   ALA  43           HA       ALA  43  -2.166   3.426   2.181
  330   1HB   ALA  43           HMB      ALA  43  -4.666   3.975   2.495
  331   2HB   ALA  43           HMB      ALA  43  -4.935   2.240   2.190
  332   3HB   ALA  43           HMB      ALA  43  -3.918   2.757   3.559
  333    H    GLU  44           HN       GLU  44  -1.803   1.309   3.158
  334    HA   GLU  44           HA       GLU  44  -1.108  -0.487   0.886
  335   1HB   GLU  44           HBR      GLU  44   0.944  -0.744   1.940
  336   2HB   GLU  44           HBS      GLU  44   0.552   0.885   2.006
  337   1HG   GLU  44           HGR      GLU  44   1.214   0.773   4.221
  338   2HG   GLU  44           HGS      GLU  44  -0.501   0.300   4.355
  339    H    HIS  45           HN       HIS  45  -1.570  -2.574   0.932
  340    HA   HIS  45           HA       HIS  45  -2.428  -3.831   3.485
  341   1HB   HIS  45           HBS      HIS  45  -4.054  -4.270   1.652
  342   2HB   HIS  45           HBR      HIS  45  -2.731  -4.951   0.661
  343    HD1  HIS  45           HD1      HIS  45  -4.479  -5.668   4.022
  344    HD2  HIS  45           HD2      HIS  45  -2.125  -7.540   1.140
  345    HE1  HIS  45           HE1      HIS  45  -4.334  -8.082   4.685
  346    HE2  HIS  45           HE2      HIS  45  -2.933  -9.224   2.931
  347    H    GLU  46           HN       GLU  46  -1.460  -5.990   3.810
  348    HA   GLU  46           HA       GLU  46   1.206  -5.517   4.225
  349   1HB   GLU  46           HBS      GLU  46  -0.110  -6.968   5.488
  350   2HB   GLU  46           HBR      GLU  46  -0.488  -8.001   4.219
  351   1HG   GLU  46           HGS      GLU  46   1.213  -8.817   5.939
  352   2HG   GLU  46           HGR      GLU  46   1.795  -8.989   4.262
  353    H    GLY  47           HN       GLY  47   2.486  -5.020   2.524
  354   1HA   GLY  47           HAR      GLY  47   3.732  -5.239   0.595
  355   2HA   GLY  47           HAS      GLY  47   3.416  -6.992   0.668
  356    H    LYS  48           HN       LYS  48   1.268  -4.143   0.310
  357    HA   LYS  48           HA       LYS  48   1.215  -4.102  -2.483
  358   1HB   LYS  48           HBR      LYS  48  -0.373  -6.252  -1.490
  359   2HB   LYS  48           HBS      LYS  48  -1.483  -4.965  -2.041
  360   1HG   LYS  48           HGS      LYS  48  -1.036  -5.354  -4.211
  361   2HG   LYS  48           HGR      LYS  48   0.722  -5.496  -3.920
  362   1HD   LYS  48           HDS      LYS  48   0.325  -7.624  -4.545
  363   2HD   LYS  48           HDR      LYS  48  -0.021  -7.784  -2.847
  364   1HE   LYS  48           HES      LYS  48  -2.355  -6.970  -4.407
  365   2HE   LYS  48           HER      LYS  48  -1.666  -8.551  -4.869
  366   1HZ   LYS  48           HZC      LYS  48  -1.850  -8.186  -2.059
  367   2HZ   LYS  48           HZA      LYS  48  -3.308  -8.104  -2.789
  368   3HZ   LYS  48           HZB      LYS  48  -2.370  -9.427  -2.986
  369    HA   PRO  49           HA       PRO  49  -0.743  -0.395  -0.924
  370   1HB   PRO  49           HBR      PRO  49   0.213   1.088  -2.917
  371   2HB   PRO  49           HBS      PRO  49   0.939   0.934  -1.451
  372   1HG   PRO  49           HGS      PRO  49   1.717  -0.165  -3.894
  373   2HG   PRO  49           HGR      PRO  49   2.639   0.075  -2.522
  374   1HD   PRO  49           HDS      PRO  49   1.619  -2.290  -3.364
  375   2HD   PRO  49           HDR      PRO  49   2.342  -2.004  -1.904
  376    H    TYR  50           HN       TYR  50  -2.553   0.705  -1.452
  377    HA   TYR  50           HA       TYR  50  -3.506   0.427  -4.225
  378   1HB   TYR  50           HBR      TYR  50  -5.300  -0.173  -1.846
  379   2HB   TYR  50           HBS      TYR  50  -5.763  -0.152  -3.572
  380    HD1  TYR  50           HD1      TYR  50  -3.688  -1.989  -1.059
  381    HD2  TYR  50           HD2      TYR  50  -5.561  -2.091  -4.877
  382    HE1  TYR  50           HE1      TYR  50  -3.313  -4.415  -1.173
  383    HE2  TYR  50           HE2      TYR  50  -5.165  -4.508  -5.017
  384    HH   TYR  50           HH       TYR  50  -4.107  -6.343  -2.261
  385    H    CYS  51           HN       CYS  51  -5.364   1.939  -4.596
  386    HA   CYS  51           HA       CYS  51  -5.332   4.468  -3.605
  387   1HB   CYS  51           HBS      CYS  51  -7.804   2.866  -4.300
  388   2HB   CYS  51           HBR      CYS  51  -7.761   4.633  -4.060
  389    H    ASN  52           HN       ASN  52  -5.828   5.577  -1.862
  390    HA   ASN  52           HA       ASN  52  -6.677   4.418   0.583
  391   1HB   ASN  52           HBR      ASN  52  -5.466   6.600   0.280
  392   2HB   ASN  52           HBS      ASN  52  -7.044   7.310  -0.170
  393   1HD2  ASN  52           HD2      ASN  52  -6.009   6.798   3.700
  394   2HD2  ASN  52           HD2      ASN  52  -4.917   6.662   2.362
  395    H    HIS  53           HN       HIS  53  -8.433   5.785  -2.138
  396    HA   HIS  53           HA       HIS  53 -10.554   3.908  -1.576
  397   1HB   HIS  53           HBS      HIS  53 -11.132   6.882  -1.343
  398   2HB   HIS  53           HBR      HIS  53 -12.365   5.728  -1.923
  399    HD1  HIS  53           HD1      HIS  53 -13.617   4.390  -0.126
  400    HD2  HIS  53           HD2      HIS  53 -10.349   6.505   1.352
  401    HE1  HIS  53           HE1      HIS  53 -13.839   4.377   2.370
  402    HE2  HIS  53           HE2      HIS  53 -11.879   5.679   3.270
  403    HA   PRO  54           HA       PRO  54 -12.502   3.760  -2.230
  404   1HB   PRO  54           HBR      PRO  54 -13.820   2.171  -3.932
  405   2HB   PRO  54           HBS      PRO  54 -14.347   3.644  -3.431
  406   1HG   PRO  54           HGR      PRO  54 -13.462   2.949  -5.948
  407   2HG   PRO  54           HGS      PRO  54 -14.155   4.382  -5.452
  408   1HD   PRO  54           HDS      PRO  54 -11.478   3.873  -5.940
  409   2HD   PRO  54           HDR      PRO  54 -12.185   5.325  -5.581
  410    H    CYS  55           HN       CYS  55 -10.148   2.535  -4.152
  411    HA   CYS  55           HA       CYS  55 -10.786  -0.123  -4.294
  412   1HB   CYS  55           HBS      CYS  55  -8.006   1.077  -4.268
  413   2HB   CYS  55           HBR      CYS  55  -8.445  -0.549  -4.863
  414    H    TYR  56           HN       TYR  56  -8.983   1.511  -1.723
  415    HA   TYR  56           HA       TYR  56  -8.111  -0.925  -0.399
  416   1HB   TYR  56           HBR      TYR  56  -6.898   1.202  -0.125
  417   2HB   TYR  56           HBS      TYR  56  -8.338   1.924   0.648
  418    HD1  TYR  56           HD1      TYR  56  -6.479  -1.328   1.111
  419    HD2  TYR  56           HD2      TYR  56  -8.016   2.205   2.910
  420    HE1  TYR  56           HE1      TYR  56  -5.603  -2.063   3.286
  421    HE2  TYR  56           HE2      TYR  56  -7.129   1.493   5.084
  422    HH   TYR  56           HH       TYR  56  -4.707  -0.624   5.399
  423    H    SER  57           HN       SER  57 -10.444   1.633   0.545
  424    HA   SER  57           HA       SER  57 -11.344   0.196   2.818
  425   1HB   SER  57           HBS      SER  57 -11.632   2.764   1.867
  426   2HB   SER  57           HBR      SER  57 -13.289   2.102   1.745
  427    HG   SER  57           HG       SER  57 -13.471   2.576   3.727
  428    H    ALA  58           HN       ALA  58 -12.077  -0.116  -0.509
  429    HA   ALA  58           HA       ALA  58 -14.607  -1.449  -0.164
  430   1HB   ALA  58           HMB      ALA  58 -13.994  -0.328  -2.238
  431   2HB   ALA  58           HMB      ALA  58 -12.641  -1.467  -2.472
  432   3HB   ALA  58           HMB      ALA  58 -14.322  -2.058  -2.515
  433    H    MET  59           HN       MET  59 -11.351  -2.646  -1.087
  434    HA   MET  59           HA       MET  59 -12.308  -5.385  -0.764
  435   1HB   MET  59           HBR      MET  59 -10.405  -4.048  -2.408
  436   2HB   MET  59           HBS      MET  59  -9.529  -5.259  -1.437
  437   1HG   MET  59           HGS      MET  59 -10.225  -6.501  -3.325
  438   2HG   MET  59           HGR      MET  59 -11.441  -6.885  -2.086
  439   1HE   MET  59           HME      MET  59 -13.611  -7.092  -2.696
  440   2HE   MET  59           HME      MET  59 -13.982  -5.461  -2.079
  441   3HE   MET  59           HME      MET  59 -14.640  -5.991  -3.647
  442    H    PHE  60           HN       PHE  60 -10.003  -3.174   0.749
  443    HA   PHE  60           HA       PHE  60  -9.406  -5.274   2.772
  444   1HB   PHE  60           HBR      PHE  60  -7.516  -3.325   1.471
  445   2HB   PHE  60           HBS      PHE  60  -7.301  -3.718   3.202
  446    HD1  PHE  60           HD2      PHE  60  -7.613  -6.505   3.558
  447    HD2  PHE  60           HD1      PHE  60  -6.180  -4.437   0.121
  448    HE1  PHE  60           HE2      PHE  60  -6.464  -8.562   2.808
  449    HE2  PHE  60           HE1      PHE  60  -5.025  -6.463  -0.643
  450    HZ   PHE  60           HZ       PHE  60  -5.218  -8.545   0.665
  451    H    GLY  61           HN       GLY  61 -10.637  -4.801   4.430
  452   1HA   GLY  61           HAS      GLY  61  -9.972  -2.786   6.225
  453   2HA   GLY  61           HAR      GLY  61 -11.369  -2.152   5.310
  454    HA   PRO  62           HA       PRO  62 -14.423  -4.355   7.221
  455   1HB   PRO  62           HBS      PRO  62 -15.013  -6.383   5.373
  456   2HB   PRO  62           HBR      PRO  62 -15.955  -5.113   5.816
  457   1HG   PRO  62           HGS      PRO  62 -14.725  -5.358   3.483
  458   2HG   PRO  62           HGR      PRO  62 -15.290  -3.912   4.095
  459   1HD   PRO  62           HDS      PRO  62 -12.640  -4.789   3.871
  460   2HD   PRO  62           HDR      PRO  62 -13.194  -3.254   4.141
  461    H    LYS  63           HN       LYS  63 -13.562  -7.370   5.782
  462    HA   LYS  63           HA       LYS  63 -12.665  -8.425   8.396
  463   1HB   LYS  63           HBR      LYS  63 -15.354  -8.704   7.357
  464   2HB   LYS  63           HBS      LYS  63 -14.539 -10.291   7.442
  465   1HG   LYS  63           HGR      LYS  63 -13.989  -9.849   9.825
  466   2HG   LYS  63           HGS      LYS  63 -14.890  -8.310   9.726
  467   1HD   LYS  63           HDS      LYS  63 -16.864  -9.281   9.924
  468   2HD   LYS  63           HDR      LYS  63 -16.468 -10.521   8.766
  469   1HE   LYS  63           HES      LYS  63 -16.416 -11.989  10.411
  470   2HE   LYS  63           HER      LYS  63 -14.945 -11.165  11.002
  471   1HZ   LYS  63           HZC      LYS  63 -17.048  -9.662  11.861
  472   2HZ   LYS  63           HZA      LYS  63 -17.523 -11.203  12.122
  473   3HZ   LYS  63           HZB      LYS  63 -16.126 -10.658  12.767
  474    H    GLY  64           HN       GLY  64 -14.053  -9.943   5.484
  475   1HA   GLY  64           HAR      GLY  64 -13.207 -11.522   4.025
  476   2HA   GLY  64           HAS      GLY  64 -11.565 -10.928   4.387
  477    H    PHE  65           HN       PHE  65 -13.810 -13.420   4.831
  478    HA   PHE  65           HA       PHE  65 -13.339 -14.269   7.444
  479   1HB   PHE  65           HBR      PHE  65 -14.143 -15.904   5.003
  480   2HB   PHE  65           HBS      PHE  65 -14.055 -16.570   6.660
  481    HD1  PHE  65           HD1      PHE  65 -15.096 -14.718   8.374
  482    HD2  PHE  65           HD2      PHE  65 -16.405 -15.426   4.382
  483    HE1  PHE  65           HE1      PHE  65 -17.328 -13.907   8.986
  484    HE2  PHE  65           HE2      PHE  65 -18.665 -14.611   4.972
  485    HZ   PHE  65           HZ       PHE  65 -19.132 -13.910   7.303
  486    H    GLY  66           HN       GLY  66 -11.745 -15.329   4.428
  487   1HA   GLY  66           HAR      GLY  66  -9.659 -16.318   4.090
  488   2HA   GLY  66           HAS      GLY  66  -9.309 -16.150   5.831
  489    H    ARG  67           HN       ARG  67 -10.306 -18.230   3.323
  490    HA   ARG  67           HA       ARG  67 -12.048 -19.987   4.638
  491   1HB   ARG  67           HBR      ARG  67 -10.142 -20.997   2.544
  492   2HB   ARG  67           HBS      ARG  67 -11.866 -21.386   2.813
  493   1HG   ARG  67           HGS      ARG  67 -12.285 -18.917   2.128
  494   2HG   ARG  67           HGR      ARG  67 -10.636 -18.995   1.448
  495   1HD   ARG  67           HDS      ARG  67 -13.019 -20.706   0.753
  496   2HD   ARG  67           HDR      ARG  67 -12.179 -19.515  -0.280
  497    HE   ARG  67           HE       ARG  67 -10.506 -21.079  -0.694
  498   1HH1  ARG  67           HH1      ARG  67 -12.863 -22.355   1.597
  499   2HH1  ARG  67           HH1      ARG  67 -12.134 -23.925   1.639
  500   1HH2  ARG  67           HH2      ARG  67  -9.504 -23.105  -0.513
  501   2HH2  ARG  67           HH2      ARG  67 -10.233 -24.351   0.445
  502    H    GLY  68           HN       GLY  68  -8.552 -19.773   4.660
  503   1HA   GLY  68           HAR      GLY  68  -7.005 -20.862   6.057
  504   2HA   GLY  68           HAS      GLY  68  -8.310 -21.909   6.676
  505    H    GLY  69           HN       GLY  69  -5.742 -21.560   4.437
  506   1HA   GLY  69           HAS      GLY  69  -4.627 -23.612   3.825
  507   2HA   GLY  69           HAR      GLY  69  -6.219 -24.361   3.534
  508    H    ALA  70           HN       ALA  70  -5.714 -24.964   1.438
  509    HA   ALA  70           HA       ALA  70  -5.456 -24.796  -0.830
  510   1HB   ALA  70           HMB      ALA  70  -7.238 -22.850  -0.304
  511   2HB   ALA  70           HMB      ALA  70  -5.891 -21.865  -0.927
  512   3HB   ALA  70           HMB      ALA  70  -6.574 -23.173  -1.925
  513    H    GLU  71           HN       GLU  71  -3.367 -25.202  -1.095
  514    HA   GLU  71           HA       GLU  71  -1.697 -22.860  -1.702
  515   1HB   GLU  71           HBS      GLU  71  -0.921 -25.140   0.064
  516   2HB   GLU  71           HBR      GLU  71   0.246 -24.161  -0.640
  517   1HG   GLU  71           HGR      GLU  71  -1.084 -22.154   0.591
  518   2HG   GLU  71           HGS      GLU  71  -1.858 -23.523   1.436
  519    H    SER  72           HN       SER  72  -1.275 -23.136  -3.759
  520    HA   SER  72           HA       SER  72  -1.388 -25.865  -4.881
  521   1HB   SER  72           HBS      SER  72  -2.734 -23.649  -5.601
  522   2HB   SER  72           HBR      SER  72  -1.319 -23.512  -6.685
  523    HG   SER  72           HG       SER  72  -2.893 -24.601  -7.764
  524    H    HIS  73           HN       HIS  73   0.436 -22.844  -5.530
  525    HA   HIS  73           HA       HIS  73   2.262 -24.052  -7.261
  526   1HB   HIS  73           HBR      HIS  73   2.805 -21.574  -5.568
  527   2HB   HIS  73           HBS      HIS  73   3.668 -22.073  -7.050
  528    HD1  HIS  73           HD1      HIS  73   0.574 -20.293  -5.893
  529    HD2  HIS  73           HD2      HIS  73   2.127 -21.853  -9.429
  530    HE1  HIS  73           HE1      HIS  73  -0.894 -19.450  -7.740
  531    HE2  HIS  73           HE2      HIS  73   0.027 -20.408  -9.881
  532    H    THR  74           HN       THR  74   4.673 -24.051  -6.938
  533    HA   THR  74           HA       THR  74   5.410 -24.978  -4.206
  534    HB   THR  74           HB       THR  74   7.300 -26.285  -5.405
  535    HG1  THR  74           HG1      THR  74   6.959 -26.804  -7.301
  536   1HG2  THR  74           HMG      THR  74   4.479 -27.052  -5.156
  537   2HG2  THR  74           HMG      THR  74   5.389 -28.011  -6.352
  538   3HG2  THR  74           HMG      THR  74   5.957 -27.916  -4.665
  539    H    PHE  75           HN       PHE  75   5.919 -22.868  -3.624
  540    HA   PHE  75           HA       PHE  75   7.454 -21.268  -3.110
  541   1HB   PHE  75           HBR      PHE  75   9.415 -22.985  -4.696
  542   2HB   PHE  75           HBS      PHE  75   9.822 -21.674  -3.552
  543    HD1  PHE  75           HD1      PHE  75   8.637 -21.912  -1.244
  544    HD2  PHE  75           HD2      PHE  75   9.627 -25.186  -3.784
  545    HE1  PHE  75           HE1      PHE  75   8.541 -23.415   0.693
  546    HE2  PHE  75           HE2      PHE  75   9.540 -26.723  -1.847
  547    HZ   PHE  75           HZ       PHE  75   8.933 -25.831   0.385
  548    H    LYS  76           HN       LYS  76   8.708 -22.243  -6.312
  549    HA   LYS  76           HA       LYS  76   7.728 -19.829  -7.561
  550   1HB   LYS  76           HBS      LYS  76  10.129 -19.247  -8.359
  551   2HB   LYS  76           HBR      LYS  76   9.538 -18.635  -6.788
  552   1HG   LYS  76           HGR      LYS  76  10.937 -21.241  -6.655
  553   2HG   LYS  76           HGS      LYS  76  11.953 -19.871  -7.188
  554   1HD   LYS  76           HDS      LYS  76  10.285 -19.192  -4.904
  555   2HD   LYS  76           HDR      LYS  76  11.279 -20.588  -4.592
  556   1HE   LYS  76           HES      LYS  76  12.485 -18.659  -3.893
  557   2HE   LYS  76           HER      LYS  76  13.267 -19.342  -5.347
  558   1HZ   LYS  76           HZB      LYS  76  11.443 -17.542  -6.259
  559   2HZ   LYS  76           HZC      LYS  76  12.129 -16.795  -4.978
  560   3HZ   LYS  76           HZA      LYS  76  13.063 -17.342  -6.200
   
  No H/Q in entry =         560
  Start of MODEL    4
    1    H    PRO   1           HN       PRO   1  15.733   2.828   5.671
    2    HA   PRO   1           HA       PRO   1  14.008   3.576   4.182
    3   1HB   PRO   1           HBR      PRO   1  15.346   4.490   2.057
    4   2HB   PRO   1           HBS      PRO   1  14.567   5.441   3.146
    5   1HG   PRO   1           HGS      PRO   1  17.309   5.064   2.826
    6   2HG   PRO   1           HGR      PRO   1  16.517   6.309   3.605
    7   1HD   PRO   1           HDR      PRO   1  17.791   4.249   4.804
    8   2HD   PRO   1           HDS      PRO   1  16.805   5.345   5.552
    9    H    LYS   2           HN       LYS   2  13.318   1.607   3.885
   10    HA   LYS   2           HA       LYS   2  14.470   0.294   1.512
   11   1HB   LYS   2           HBR      LYS   2  14.066  -1.950   2.728
   12   2HB   LYS   2           HBS      LYS   2  15.586  -1.057   3.020
   13   1HG   LYS   2           HGR      LYS   2  14.712  -0.213   5.143
   14   2HG   LYS   2           HGS      LYS   2  13.150  -1.030   4.846
   15   1HD   LYS   2           HDS      LYS   2  13.884  -3.006   5.522
   16   2HD   LYS   2           HDR      LYS   2  15.375  -2.857   4.632
   17   1HE   LYS   2           HER      LYS   2  14.763  -1.978   7.415
   18   2HE   LYS   2           HES      LYS   2  16.106  -2.991   6.814
   19   1HZ   LYS   2           HZA      LYS   2  16.754  -0.863   5.598
   20   2HZ   LYS   2           HZB      LYS   2  15.799  -0.094   6.677
   21   3HZ   LYS   2           HZC      LYS   2  17.076  -0.971   7.195
   22    H    CYS   3           HN       CYS   3  12.996  -0.894   0.359
   23    HA   CYS   3           HA       CYS   3  10.409   0.193   0.613
   24   1HB   CYS   3           HBS      CYS   3  11.765  -0.128  -1.458
   25   2HB   CYS   3           HBR      CYS   3  11.391  -1.872  -1.361
   26    HA   PRO   4           HA       PRO   4   8.373  -3.233   2.645
   27   1HB   PRO   4           HBR      PRO   4   5.999  -1.881   2.478
   28   2HB   PRO   4           HBS      PRO   4   6.914  -2.087   3.824
   29   1HG   PRO   4           HGS      PRO   4   6.489   0.234   2.577
   30   2HG   PRO   4           HGR      PRO   4   7.646  -0.034   3.751
   31   1HD   PRO   4           HDS      PRO   4   7.976   0.110   0.942
   32   2HD   PRO   4           HDR      PRO   4   9.084   0.439   2.126
   33    H    LYS   5           HN       LYS   5   8.061  -1.959  -0.389
   34    HA   LYS   5           HA       LYS   5   5.800  -3.663  -1.223
   35   1HB   LYS   5           HBR      LYS   5   6.652  -1.218  -2.094
   36   2HB   LYS   5           HBS      LYS   5   7.429  -2.306  -3.280
   37   1HG   LYS   5           HGR      LYS   5   4.508  -2.664  -2.633
   38   2HG   LYS   5           HGS      LYS   5   5.014  -1.338  -3.719
   39   1HD   LYS   5           HDS      LYS   5   4.556  -3.022  -5.198
   40   2HD   LYS   5           HDR      LYS   5   6.289  -3.068  -5.028
   41   1HE   LYS   5           HES      LYS   5   6.321  -5.102  -4.084
   42   2HE   LYS   5           HER      LYS   5   4.827  -4.794  -3.155
   43   1HZ   LYS   5           HZC      LYS   5   3.897  -4.881  -5.617
   44   2HZ   LYS   5           HZA      LYS   5   5.150  -5.917  -5.782
   45   3HZ   LYS   5           HZB      LYS   5   4.000  -6.198  -4.656
   46    H    CYS   6           HN       CYS   6   9.020  -3.059  -2.663
   47    HA   CYS   6           HA       CYS   6   8.815  -5.731  -3.827
   48   1HB   CYS   6           HBS      CYS   6  10.591  -5.010  -5.327
   49   2HB   CYS   6           HBR      CYS   6   9.196  -3.897  -5.309
   50    H    ASP   7           HN       ASP   7  10.451  -4.251  -1.232
   51    HA   ASP   7           HA       ASP   7  12.132  -4.870   0.148
   52   1HB   ASP   7           HBR      ASP   7  11.125  -7.333  -0.791
   53   2HB   ASP   7           HBS      ASP   7  12.909  -7.443  -0.791
   54    H    LYS   8           HN       LYS   8  12.840  -3.155  -1.594
   55    HA   LYS   8           HA       LYS   8  15.658  -4.008  -2.046
   56   1HB   LYS   8           HBS      LYS   8  14.091  -2.943  -4.032
   57   2HB   LYS   8           HBR      LYS   8  14.833  -1.480  -3.320
   58   1HG   LYS   8           HGS      LYS   8  16.690  -1.880  -4.491
   59   2HG   LYS   8           HGR      LYS   8  16.902  -3.420  -3.610
   60   1HD   LYS   8           HDR      LYS   8  16.962  -3.820  -5.951
   61   2HD   LYS   8           HDS      LYS   8  15.523  -4.547  -5.291
   62   1HE   LYS   8           HES      LYS   8  14.914  -3.535  -7.345
   63   2HE   LYS   8           HER      LYS   8  14.266  -2.497  -6.041
   64   1HZ   LYS   8           HZA      LYS   8  16.790  -2.007  -7.465
   65   2HZ   LYS   8           HZB      LYS   8  15.377  -1.260  -7.799
   66   3HZ   LYS   8           HZC      LYS   8  16.098  -1.033  -6.352
   67    H    GLU   9           HN       GLU   9  16.830  -1.576  -2.133
   68    HA   GLU   9           HA       GLU   9  15.861  -0.075   0.264
   69   1HB   GLU   9           HBR      GLU   9  18.518   0.554  -0.830
   70   2HB   GLU   9           HBS      GLU   9  17.918   0.584   0.733
   71   1HG   GLU   9           HGS      GLU   9  18.297  -1.585   1.263
   72   2HG   GLU   9           HGR      GLU   9  18.303  -2.179  -0.419
   73    H    VAL  10           HN       VAL  10  15.788   2.196   0.046
   74    HA   VAL  10           HA       VAL  10  14.973   2.806  -2.731
   75    HB   VAL  10           HB       VAL  10  13.862   3.537  -0.024
   76   1HG1  VAL  10           HMG      VAL  10  13.810   5.454  -1.821
   77   2HG1  VAL  10           HMG      VAL  10  12.490   4.481  -2.513
   78   3HG1  VAL  10           HMG      VAL  10  12.373   5.077  -0.840
   79   1HG2  VAL  10           HMG      VAL  10  13.427   1.360  -1.587
   80   2HG2  VAL  10           HMG      VAL  10  12.288   2.011  -0.387
   81   3HG2  VAL  10           HMG      VAL  10  12.104   2.442  -2.102
   82    H    TYR  11           HN       TYR  11  15.986   4.268  -3.828
   83    HA   TYR  11           HA       TYR  11  18.044   5.947  -2.559
   84   1HB   TYR  11           HBS      TYR  11  18.457   4.804  -4.740
   85   2HB   TYR  11           HBR      TYR  11  17.170   5.807  -5.468
   86    HD1  TYR  11           HD1      TYR  11  20.488   6.050  -3.734
   87    HD2  TYR  11           HD2      TYR  11  17.667   7.935  -6.299
   88    HE1  TYR  11           HE1      TYR  11  22.130   7.806  -4.241
   89    HE2  TYR  11           HE2      TYR  11  19.308   9.677  -6.839
   90    HH   TYR  11           HH       TYR  11  22.326   9.947  -5.064
   91    H    PHE  12           HN       PHE  12  18.056   8.235  -2.842
   92    HA   PHE  12           HA       PHE  12  15.887   9.153  -1.497
   93   1HB   PHE  12           HBS      PHE  12  17.643  11.068  -3.082
   94   2HB   PHE  12           HBR      PHE  12  16.766  11.374  -1.555
   95    HD1  PHE  12           HD2      PHE  12  17.710  10.487   0.598
   96    HD2  PHE  12           HD1      PHE  12  19.642   9.897  -3.154
   97    HE1  PHE  12           HE2      PHE  12  19.764   9.768   1.775
   98    HE2  PHE  12           HE1      PHE  12  21.688   9.173  -2.011
   99    HZ   PHE  12           HZ       PHE  12  21.733   9.048   0.451
  100    H    ALA  13           HN       ALA  13  16.681  10.624  -4.662
  101    HA   ALA  13           HA       ALA  13  14.218  11.679  -5.025
  102   1HB   ALA  13           HMB      ALA  13  16.449  12.074  -6.260
  103   2HB   ALA  13           HMB      ALA  13  15.906  10.794  -7.373
  104   3HB   ALA  13           HMB      ALA  13  14.948  12.285  -7.195
  105    H    GLU  14           HN       GLU  14  14.837   8.418  -5.225
  106    HA   GLU  14           HA       GLU  14  12.536   7.880  -6.992
  107   1HB   GLU  14           HBS      GLU  14  14.526   6.200  -5.529
  108   2HB   GLU  14           HBR      GLU  14  13.308   5.504  -6.448
  109   1HG   GLU  14           HGR      GLU  14  14.336   7.009  -8.448
  110   2HG   GLU  14           HGS      GLU  14  15.673   7.191  -7.281
  111    H    ARG  15           HN       ARG  15  12.496   9.016  -4.093
  112    HA   ARG  15           HA       ARG  15  11.450   6.732  -2.585
  113   1HB   ARG  15           HBR      ARG  15  11.761   8.044  -0.625
  114   2HB   ARG  15           HBS      ARG  15  13.205   8.247  -1.655
  115   1HG   ARG  15           HGR      ARG  15  11.921  10.411  -2.466
  116   2HG   ARG  15           HGS      ARG  15  11.089  10.229  -0.896
  117   1HD   ARG  15           HDR      ARG  15  14.080  10.118  -1.109
  118   2HD   ARG  15           HDS      ARG  15  13.207  11.673  -1.025
  119    HE   ARG  15           HE       ARG  15  13.273   9.592   1.093
  120   1HH1  ARG  15           HH1      ARG  15  12.193  12.772   0.018
  121   2HH1  ARG  15           HH1      ARG  15  12.024  13.380   1.631
  122   1HH2  ARG  15           HH2      ARG  15  13.162  10.464   3.182
  123   2HH2  ARG  15           HH2      ARG  15  12.569  12.072   3.422
  124    H    VAL  16           HN       VAL  16   9.540   6.712  -1.417
  125    HA   VAL  16           HA       VAL  16   7.990   9.140  -1.279
  126    HB   VAL  16           HB       VAL  16   5.856   8.266  -1.910
  127   1HG1  VAL  16           HMG      VAL  16   7.954   7.871  -4.050
  128   2HG1  VAL  16           HMG      VAL  16   6.204   7.847  -4.366
  129   3HG1  VAL  16           HMG      VAL  16   6.971   9.317  -3.719
  130   1HG2  VAL  16           HMG      VAL  16   7.271   5.668  -2.544
  131   2HG2  VAL  16           HMG      VAL  16   6.036   5.959  -1.295
  132   3HG2  VAL  16           HMG      VAL  16   5.600   6.059  -3.018
  133    H    THR  17           HN       THR  17   6.436   9.070   0.460
  134    HA   THR  17           HA       THR  17   7.478   7.257   2.582
  135    HB   THR  17           HB       THR  17   6.113   9.867   3.288
  136    HG1  THR  17           HG1      THR  17   7.656  10.934   2.918
  137   1HG2  THR  17           HMG      THR  17   8.026   7.988   4.531
  138   2HG2  THR  17           HMG      THR  17   8.337   9.718   4.828
  139   3HG2  THR  17           HMG      THR  17   6.762   9.008   5.267
  140    H    SER  18           HN       SER  18   6.098   6.284   3.978
  141    HA   SER  18           HA       SER  18   3.436   6.902   4.396
  142   1HB   SER  18           HBS      SER  18   2.992   6.270   2.088
  143   2HB   SER  18           HBR      SER  18   3.684   4.650   2.377
  144    HG   SER  18           HG       SER  18   1.222   5.861   3.043
  145    H    LEU  19           HN       LEU  19   2.678   5.827   6.110
  146    HA   LEU  19           HA       LEU  19   2.911   4.750   8.114
  147   1HB   LEU  19           HBR      LEU  19   3.863   2.682   6.122
  148   2HB   LEU  19           HBS      LEU  19   3.654   2.336   7.864
  149    HG   LEU  19           HG       LEU  19   1.736   1.514   6.741
  150   1HD1  LEU  19           HMD      LEU  19   1.083   4.230   7.932
  151   2HD1  LEU  19           HMD      LEU  19  -0.069   2.896   7.675
  152   3HD1  LEU  19           HMD      LEU  19   1.272   2.704   8.833
  153   1HD2  LEU  19           HMD      LEU  19   2.108   2.836   4.675
  154   2HD2  LEU  19           HMD      LEU  19   0.413   2.872   5.222
  155   3HD2  LEU  19           HMD      LEU  19   1.472   4.277   5.508
  156    H    GLY  20           HN       GLY  20   5.061   6.491   7.181
  157   1HA   GLY  20           HAS      GLY  20   6.946   7.323   8.200
  158   2HA   GLY  20           HAR      GLY  20   6.639   6.139   9.497
  159    H    LYS  21           HN       LYS  21   6.951   4.842   6.322
  160    HA   LYS  21           HA       LYS  21   9.879   4.757   6.399
  161   1HB   LYS  21           HBR      LYS  21  10.011   2.397   5.799
  162   2HB   LYS  21           HBS      LYS  21   9.313   2.616   7.430
  163   1HG   LYS  21           HGS      LYS  21   7.517   2.282   5.024
  164   2HG   LYS  21           HGR      LYS  21   8.263   0.861   5.810
  165   1HD   LYS  21           HDR      LYS  21   7.168   2.536   7.821
  166   2HD   LYS  21           HDS      LYS  21   5.966   2.436   6.564
  167   1HE   LYS  21           HES      LYS  21   6.704  -0.178   6.768
  168   2HE   LYS  21           HER      LYS  21   6.972   0.403   8.434
  169   1HZ   LYS  21           HZC      LYS  21   4.473   0.846   6.962
  170   2HZ   LYS  21           HZA      LYS  21   4.712  -0.433   7.946
  171   3HZ   LYS  21           HZB      LYS  21   4.747   1.081   8.556
  172    H    ASP  22           HN       ASP  22  10.785   4.380   4.332
  173    HA   ASP  22           HA       ASP  22   9.143   5.739   2.412
  174   1HB   ASP  22           HBS      ASP  22  12.001   4.924   1.979
  175   2HB   ASP  22           HBR      ASP  22  11.099   6.313   1.305
  176    H    TRP  23           HN       TRP  23   9.340   5.235   0.051
  177    HA   TRP  23           HA       TRP  23   9.507   2.329  -0.547
  178   1HB   TRP  23           HBR      TRP  23   7.309   4.216  -1.409
  179   2HB   TRP  23           HBS      TRP  23   7.395   2.443  -1.664
  180    HD1  TRP  23           HD1      TRP  23   6.867   5.070   1.123
  181    HE1  TRP  23           HE1      TRP  23   5.300   4.057   2.897
  182    HE3  TRP  23           HE3      TRP  23   6.398   0.413  -0.867
  183    HZ2  TRP  23           HZ2      TRP  23   3.881   1.662   3.243
  184    HZ3  TRP  23           HZ3      TRP  23   4.913  -1.192   0.240
  185    HH2  TRP  23           HH2      TRP  23   3.617  -0.565   2.210
  186    H    HIS  24           HN       ZHI  24   9.205   2.064  -3.026
  187    HA   HIS  24           HA       ZHI  24  10.725   4.118  -4.467
  188   1HB   HIS  24           HBS      ZHI  24   9.627   1.459  -5.487
  189   2HB   HIS  24           HBR      ZHI  24  10.715   2.570  -6.369
  190    HD2  HIS  24           HD2      ZHI  24  13.023   3.127  -4.323
  191    HE1  HIS  24           HE1      ZHI  24  12.911  -0.817  -2.944
  192    HE2  HIS  24           HE2      ZHI  24  14.389   1.195  -3.279
  193    H    ARG  25           HN       ARG  25  10.024   5.288  -6.186
  194    HA   ARG  25           HA       ARG  25   7.365   6.291  -5.913
  195   1HB   ARG  25           HBR      ARG  25   9.209   7.701  -6.698
  196   2HB   ARG  25           HBS      ARG  25   9.367   6.693  -8.164
  197   1HG   ARG  25           HGS      ARG  25   8.186   8.831  -8.565
  198   2HG   ARG  25           HGR      ARG  25   7.189   7.398  -8.943
  199   1HD   ARG  25           HDS      ARG  25   5.960   7.625  -6.933
  200   2HD   ARG  25           HDR      ARG  25   7.079   8.872  -6.317
  201    HE   ARG  25           HE       ARG  25   5.722  10.392  -7.365
  202   1HH1  ARG  25           HH1      ARG  25   5.396   7.328  -9.080
  203   2HH1  ARG  25           HH1      ARG  25   4.438   8.016 -10.347
  204   1HH2  ARG  25           HH2      ARG  25   4.573  11.279  -9.105
  205   2HH2  ARG  25           HH2      ARG  25   3.973  10.252 -10.363
  206    HA   PRO  26           HA       PRO  26   6.769   3.624 -10.008
  207   1HB   PRO  26           HBS      PRO  26   8.558   1.523  -9.529
  208   2HB   PRO  26           HBR      PRO  26   8.313   2.340 -10.932
  209   1HG   PRO  26           HGR      PRO  26  10.459   2.573  -9.357
  210   2HG   PRO  26           HGS      PRO  26  10.030   3.637 -10.568
  211   1HD   PRO  26           HDS      PRO  26   9.883   4.015  -7.811
  212   2HD   PRO  26           HDR      PRO  26   9.714   5.142  -9.008
  213    H    CYS  27           HN       CYS  27   7.617   2.339  -6.934
  214    HA   CYS  27           HA       CYS  27   6.059  -0.017  -7.254
  215   1HB   CYS  27           HBS      CYS  27   7.619   1.258  -5.060
  216   2HB   CYS  27           HBR      CYS  27   6.422   0.004  -4.623
  217    H    LEU  28           HN       LEU  28   5.514   3.000  -5.434
  218    HA   LEU  28           HA       LEU  28   3.228   2.067  -4.047
  219   1HB   LEU  28           HBS      LEU  28   4.885   3.996  -3.608
  220   2HB   LEU  28           HBR      LEU  28   3.821   4.956  -4.673
  221    HG   LEU  28           HG       LEU  28   1.957   4.119  -3.005
  222   1HD1  LEU  28           HMD      LEU  28   4.099   2.927  -1.808
  223   2HD1  LEU  28           HMD      LEU  28   4.040   4.482  -0.941
  224   3HD1  LEU  28           HMD      LEU  28   2.610   3.420  -0.962
  225   1HD2  LEU  28           HMD      LEU  28   3.785   6.390  -3.186
  226   2HD2  LEU  28           HMD      LEU  28   2.021   6.355  -2.938
  227   3HD2  LEU  28           HMD      LEU  28   3.120   6.181  -1.546
  228    H    LYS  29           HN       LYS  29   2.090   1.030  -5.808
  229    HA   LYS  29           HA       LYS  29   0.363   2.922  -7.333
  230   1HB   LYS  29           HBS      LYS  29   0.576   1.539  -9.304
  231   2HB   LYS  29           HBR      LYS  29   2.178   2.141  -8.791
  232   1HG   LYS  29           HGR      LYS  29   2.801  -0.008  -7.929
  233   2HG   LYS  29           HGS      LYS  29   1.138  -0.633  -8.120
  234   1HD   LYS  29           HDR      LYS  29   3.060   0.122 -10.305
  235   2HD   LYS  29           HDS      LYS  29   2.619  -1.498  -9.836
  236   1HE   LYS  29           HES      LYS  29   0.396  -1.224 -10.653
  237   2HE   LYS  29           HER      LYS  29   0.623   0.541 -10.801
  238   1HZ   LYS  29           HZB      LYS  29   2.311  -1.300 -12.307
  239   2HZ   LYS  29           HZC      LYS  29   0.826  -0.908 -12.864
  240   3HZ   LYS  29           HZA      LYS  29   1.944   0.259 -12.630
  241    H    CYS  30           HN       CYS  30  -1.705   2.329  -7.560
  242    HA   CYS  30           HA       CYS  30  -2.899   0.256  -6.032
  243   1HB   CYS  30           HBS      CYS  30  -3.946   2.366  -7.075
  244   2HB   CYS  30           HBR      CYS  30  -4.127   1.358  -8.540
  245    H    GLU  31           HN       GLU  31  -2.761  -1.822  -6.266
  246    HA   GLU  31           HA       GLU  31  -2.508  -3.034  -8.969
  247   1HB   GLU  31           HBS      GLU  31  -2.703  -4.405  -6.343
  248   2HB   GLU  31           HBR      GLU  31  -2.073  -5.051  -7.758
  249   1HG   GLU  31           HGS      GLU  31  -0.244  -3.214  -7.570
  250   2HG   GLU  31           HGR      GLU  31  -0.834  -2.917  -5.912
  251    H    LYS  32           HN       LYS  32  -4.883  -1.556  -8.093
  252    HA   LYS  32           HA       LYS  32  -6.857  -3.780  -8.356
  253   1HB   LYS  32           HBR      LYS  32  -6.540  -1.890  -6.282
  254   2HB   LYS  32           HBS      LYS  32  -7.961  -1.364  -7.228
  255   1HG   LYS  32           HGS      LYS  32  -8.093  -4.215  -6.825
  256   2HG   LYS  32           HGR      LYS  32  -7.814  -3.407  -5.255
  257   1HD   LYS  32           HDS      LYS  32  -9.990  -3.000  -5.191
  258   2HD   LYS  32           HDR      LYS  32  -9.725  -1.842  -6.466
  259   1HE   LYS  32           HES      LYS  32 -10.363  -4.749  -6.952
  260   2HE   LYS  32           HER      LYS  32 -11.553  -3.417  -6.930
  261   1HZ   LYS  32           HZB      LYS  32 -10.187  -2.393  -8.695
  262   2HZ   LYS  32           HZC      LYS  32  -9.316  -3.770  -8.796
  263   3HZ   LYS  32           HZA      LYS  32 -10.912  -3.787  -9.141
  264    H    CYS  33           HN       CYS  33  -6.198  -0.329  -9.016
  265    HA   CYS  33           HA       CYS  33  -7.782  -0.694 -11.513
  266   1HB   CYS  33           HBS      CYS  33  -8.239   1.662 -11.522
  267   2HB   CYS  33           HBR      CYS  33  -8.802   0.886 -10.017
  268    H    GLY  34           HN       GLY  34  -4.680  -0.059 -10.185
  269   1HA   GLY  34           HAR      GLY  34  -2.633   0.198 -11.217
  270   2HA   GLY  34           HAS      GLY  34  -3.469   0.154 -12.792
  271    H    LYS  35           HN       LYS  35  -3.900   2.363 -10.015
  272    HA   LYS  35           HA       LYS  35  -2.936   4.625 -11.703
  273   1HB   LYS  35           HBS      LYS  35  -5.120   4.394  -9.862
  274   2HB   LYS  35           HBR      LYS  35  -3.917   5.530  -9.187
  275   1HG   LYS  35           HGR      LYS  35  -5.129   5.710 -11.973
  276   2HG   LYS  35           HGS      LYS  35  -5.658   6.659 -10.555
  277   1HD   LYS  35           HDS      LYS  35  -3.769   7.947 -10.506
  278   2HD   LYS  35           HDR      LYS  35  -2.790   6.739 -11.293
  279   1HE   LYS  35           HES      LYS  35  -3.959   7.159 -13.424
  280   2HE   LYS  35           HER      LYS  35  -4.881   8.453 -12.608
  281   1HZ   LYS  35           HZA      LYS  35  -1.956   8.367 -12.890
  282   2HZ   LYS  35           HZB      LYS  35  -2.965   9.300 -13.772
  283   3HZ   LYS  35           HZC      LYS  35  -2.810   9.556 -12.166
  284    H    THR  36           HN       THR  36  -1.056   5.511 -11.260
  285    HA   THR  36           HA       THR  36   0.654   4.704  -9.075
  286    HB   THR  36           HB       THR  36   0.803   7.122 -10.962
  287    HG1  THR  36           HG1      THR  36   0.933   5.610 -12.014
  288   1HG2  THR  36           HMG      THR  36   2.207   6.828  -8.595
  289   2HG2  THR  36           HMG      THR  36   3.322   6.183  -9.828
  290   3HG2  THR  36           HMG      THR  36   2.676   7.837  -9.987
  291    H    LEU  37           HN       LEU  37   1.189   5.840  -7.240
  292    HA   LEU  37           HA       LEU  37  -1.079   7.487  -6.254
  293   1HB   LEU  37           HBR      LEU  37   0.786   5.622  -4.757
  294   2HB   LEU  37           HBS      LEU  37  -0.699   6.400  -4.140
  295    HG   LEU  37           HG       LEU  37  -0.733   4.422  -6.421
  296   1HD1  LEU  37           HMD      LEU  37  -1.003   3.908  -3.442
  297   2HD1  LEU  37           HMD      LEU  37  -1.413   2.745  -4.729
  298   3HD1  LEU  37           HMD      LEU  37   0.272   3.286  -4.522
  299   1HD2  LEU  37           HMD      LEU  37  -2.604   6.129  -5.731
  300   2HD2  LEU  37           HMD      LEU  37  -3.024   4.438  -6.102
  301   3HD2  LEU  37           HMD      LEU  37  -2.893   4.972  -4.406
  302    H    THR  38           HN       THR  38  -0.747   9.434  -5.489
  303    HA   THR  38           HA       THR  38   1.951  10.521  -5.127
  304    HB   THR  38           HB       THR  38  -0.022  11.891  -6.038
  305    HG1  THR  38           HG1      THR  38   0.975  13.305  -5.541
  306   1HG2  THR  38           HMG      THR  38  -1.542  11.072  -4.032
  307   2HG2  THR  38           HMG      THR  38  -0.811  12.478  -3.216
  308   3HG2  THR  38           HMG      THR  38  -1.719  12.701  -4.733
  309    H    SER  39           HN       SER  39   1.679  12.104  -2.951
  310    HA   SER  39           HA       SER  39   2.732  10.382  -1.064
  311   1HB   SER  39           HBS      SER  39   2.146  13.222  -1.236
  312   2HB   SER  39           HBR      SER  39   1.967  12.601   0.431
  313    HG   SER  39           HG       SER  39   4.167  11.876  -1.299
  314    H    GLY  40           HN       GLY  40  -0.312  12.222  -0.607
  315   1HA   GLY  40           HAR      GLY  40  -1.128  10.157   1.398
  316   2HA   GLY  40           HAS      GLY  40  -1.283  11.917   1.646
  317    H    GLY  41           HN       GLY  41  -2.038   9.756  -1.115
  318   1HA   GLY  41           HAR      GLY  41  -4.942  10.134  -0.532
  319   2HA   GLY  41           HAS      GLY  41  -4.331  10.320  -2.195
  320    H    HIS  42           HN       HIS  42  -2.402   8.036  -0.734
  321    HA   HIS  42           HA       HIS  42  -4.000   5.845  -1.866
  322   1HB   HIS  42           HBS      HIS  42  -1.984   4.597  -2.034
  323   2HB   HIS  42           HBR      HIS  42  -1.637   6.250  -2.612
  324    HD1  HIS  42           HD1      HIS  42  -1.150   4.183   0.612
  325    HD2  HIS  42           HD2      HIS  42   0.650   7.176  -1.654
  326    HE1  HIS  42           HE1      HIS  42   1.156   4.488   1.547
  327    HE2  HIS  42           HE2      HIS  42   2.195   6.398   0.271
  328    H    ALA  43           HN       ALA  43  -2.824   3.692  -0.707
  329    HA   ALA  43           HA       ALA  43  -3.013   3.868   2.170
  330   1HB   ALA  43           HMB      ALA  43  -5.407   3.497   1.463
  331   2HB   ALA  43           HMB      ALA  43  -4.888   1.916   0.821
  332   3HB   ALA  43           HMB      ALA  43  -4.718   2.271   2.559
  333    H    GLU  44           HN       GLU  44  -2.993   1.250   2.835
  334    HA   GLU  44           HA       GLU  44  -1.626  -0.489   0.932
  335   1HB   GLU  44           HBR      GLU  44   0.460  -0.541   2.071
  336   2HB   GLU  44           HBS      GLU  44   0.098   1.002   1.520
  337   1HG   GLU  44           HGS      GLU  44   0.411   1.936   3.462
  338   2HG   GLU  44           HGR      GLU  44  -0.921   0.998   4.193
  339    H    HIS  45           HN       HIS  45  -2.004  -2.525   1.443
  340    HA   HIS  45           HA       HIS  45  -2.483  -3.263   4.282
  341   1HB   HIS  45           HBS      HIS  45  -4.204  -4.262   2.782
  342   2HB   HIS  45           HBR      HIS  45  -2.903  -5.001   1.804
  343    HD1  HIS  45           HD1      HIS  45  -4.566  -5.292   5.230
  344    HD2  HIS  45           HD2      HIS  45  -1.958  -7.359   2.723
  345    HE1  HIS  45           HE1      HIS  45  -4.318  -7.587   6.205
  346    HE2  HIS  45           HE2      HIS  45  -2.717  -8.833   4.711
  347    H    GLU  46           HN       GLU  46  -1.208  -5.142   4.968
  348    HA   GLU  46           HA       GLU  46   1.397  -4.224   4.934
  349   1HB   GLU  46           HBS      GLU  46   0.427  -6.973   5.591
  350   2HB   GLU  46           HBR      GLU  46   1.873  -6.342   6.161
  351   1HG   GLU  46           HGS      GLU  46  -0.403  -4.588   6.733
  352   2HG   GLU  46           HGR      GLU  46  -0.716  -6.212   7.403
  353    H    GLY  47           HN       GLY  47   2.401  -4.075   2.992
  354   1HA   GLY  47           HAR      GLY  47   3.985  -5.493   1.626
  355   2HA   GLY  47           HAS      GLY  47   2.570  -6.518   1.271
  356    H    LYS  48           HN       LYS  48   0.637  -4.452   0.983
  357    HA   LYS  48           HA       LYS  48   1.455  -3.536  -1.740
  358   1HB   LYS  48           HBS      LYS  48  -0.852  -5.271  -0.843
  359   2HB   LYS  48           HBR      LYS  48  -0.928  -4.309  -2.345
  360   1HG   LYS  48           HGS      LYS  48   0.480  -5.694  -3.461
  361   2HG   LYS  48           HGR      LYS  48   1.496  -5.999  -2.022
  362   1HD   LYS  48           HDR      LYS  48  -1.212  -7.193  -2.628
  363   2HD   LYS  48           HDS      LYS  48   0.310  -7.995  -2.902
  364   1HE   LYS  48           HER      LYS  48  -0.519  -6.977  -0.194
  365   2HE   LYS  48           HES      LYS  48  -0.992  -8.591  -0.791
  366   1HZ   LYS  48           HZB      LYS  48   1.766  -7.617  -0.487
  367   2HZ   LYS  48           HZC      LYS  48   1.013  -8.675   0.506
  368   3HZ   LYS  48           HZA      LYS  48   1.338  -9.093  -1.039
  369    HA   PRO  49           HA       PRO  49  -0.815   0.119  -0.556
  370   1HB   PRO  49           HBR      PRO  49   0.366   1.579  -2.443
  371   2HB   PRO  49           HBS      PRO  49   0.867   1.507  -0.880
  372   1HG   PRO  49           HGS      PRO  49   2.056   0.370  -3.131
  373   2HG   PRO  49           HGR      PRO  49   2.743   0.689  -1.644
  374   1HD   PRO  49           HDS      PRO  49   1.959  -1.741  -2.549
  375   2HD   PRO  49           HDR      PRO  49   2.439  -1.383  -1.008
  376    H    TYR  50           HN       TYR  50  -2.412   1.369  -1.554
  377    HA   TYR  50           HA       TYR  50  -2.952   0.852  -4.339
  378   1HB   TYR  50           HBR      TYR  50  -5.081   0.044  -2.319
  379   2HB   TYR  50           HBS      TYR  50  -5.261   0.090  -4.096
  380    HD1  TYR  50           HD1      TYR  50  -3.413  -1.636  -1.335
  381    HD2  TYR  50           HD2      TYR  50  -4.783  -1.808  -5.357
  382    HE1  TYR  50           HE1      TYR  50  -2.829  -4.020  -1.425
  383    HE2  TYR  50           HE2      TYR  50  -4.254  -4.203  -5.444
  384    HH   TYR  50           HH       TYR  50  -3.516  -5.983  -2.566
  385    H    CYS  51           HN       CYS  51  -5.364   1.975  -4.655
  386    HA   CYS  51           HA       CYS  51  -5.458   4.639  -3.818
  387   1HB   CYS  51           HBS      CYS  51  -7.744   2.730  -4.361
  388   2HB   CYS  51           HBR      CYS  51  -7.931   4.485  -4.096
  389    H    ASN  52           HN       ASN  52  -5.947   5.714  -2.060
  390    HA   ASN  52           HA       ASN  52  -6.624   4.549   0.439
  391   1HB   ASN  52           HBS      ASN  52  -5.629   6.811   0.085
  392   2HB   ASN  52           HBR      ASN  52  -7.251   7.369  -0.416
  393   1HD2  ASN  52           HD2      ASN  52  -8.073   8.160   2.855
  394   2HD2  ASN  52           HD2      ASN  52  -8.070   8.572   1.173
  395    H    HIS  53           HN       HIS  53  -8.558   5.705  -2.269
  396    HA   HIS  53           HA       HIS  53 -10.484   3.658  -1.626
  397   1HB   HIS  53           HBS      HIS  53 -11.354   6.566  -1.455
  398   2HB   HIS  53           HBR      HIS  53 -12.474   5.271  -1.967
  399    HD1  HIS  53           HD1      HIS  53 -13.526   3.858  -0.097
  400    HD2  HIS  53           HD2      HIS  53 -10.474   6.365   1.226
  401    HE1  HIS  53           HE1      HIS  53 -13.672   3.891   2.405
  402    HE2  HIS  53           HE2      HIS  53 -11.842   5.423   3.210
  403    HA   PRO  54           HA       PRO  54 -12.628   3.503  -2.263
  404   1HB   PRO  54           HBS      PRO  54 -13.803   1.797  -3.906
  405   2HB   PRO  54           HBR      PRO  54 -14.408   3.294  -3.598
  406   1HG   PRO  54           HGS      PRO  54 -13.344   2.338  -5.946
  407   2HG   PRO  54           HGR      PRO  54 -14.054   3.826  -5.690
  408   1HD   PRO  54           HDR      PRO  54 -11.325   3.186  -5.773
  409   2HD   PRO  54           HDS      PRO  54 -12.028   4.680  -5.889
  410    H    CYS  55           HN       CYS  55 -10.302   2.331  -4.333
  411    HA   CYS  55           HA       CYS  55 -10.750  -0.316  -4.300
  412   1HB   CYS  55           HBS      CYS  55  -8.000   0.948  -4.401
  413   2HB   CYS  55           HBR      CYS  55  -8.454  -0.671  -5.005
  414    H    TYR  56           HN       TYR  56  -8.770   1.410  -1.903
  415    HA   TYR  56           HA       TYR  56  -7.920  -0.865  -0.417
  416   1HB   TYR  56           HBR      TYR  56  -6.885   1.302  -0.101
  417   2HB   TYR  56           HBS      TYR  56  -8.429   2.002   0.462
  418    HD1  TYR  56           HD2      TYR  56  -6.109  -0.822   1.304
  419    HD2  TYR  56           HD1      TYR  56  -8.705   2.207   2.779
  420    HE1  TYR  56           HE2      TYR  56  -5.583  -1.502   3.601
  421    HE2  TYR  56           HE1      TYR  56  -8.167   1.552   5.086
  422    HH   TYR  56           HH       TYR  56  -6.778  -1.554   5.691
  423    H    SER  57           HN       SER  57 -10.741   1.305  -0.060
  424    HA   SER  57           HA       SER  57 -11.928  -0.143   2.095
  425   1HB   SER  57           HBS      SER  57 -12.623   2.079   1.785
  426   2HB   SER  57           HBR      SER  57 -13.049   1.805   0.072
  427    HG   SER  57           HG       SER  57 -14.269   0.918   2.540
  428    H    ALA  58           HN       ALA  58 -11.608  -0.807  -1.244
  429    HA   ALA  58           HA       ALA  58 -14.170  -2.072  -1.596
  430   1HB   ALA  58           HMB      ALA  58 -11.920  -1.217  -3.213
  431   2HB   ALA  58           HMB      ALA  58 -12.504  -2.826  -3.706
  432   3HB   ALA  58           HMB      ALA  58 -13.631  -1.447  -3.656
  433    H    MET  59           HN       MET  59 -10.804  -3.235  -1.338
  434    HA   MET  59           HA       MET  59 -11.845  -6.027  -1.360
  435   1HB   MET  59           HBS      MET  59  -9.899  -4.787  -3.084
  436   2HB   MET  59           HBR      MET  59  -9.126  -6.071  -2.111
  437   1HG   MET  59           HGS      MET  59 -10.961  -7.635  -2.801
  438   2HG   MET  59           HGR      MET  59 -11.624  -6.342  -3.830
  439   1HE   MET  59           HME      MET  59  -8.856  -8.858  -3.129
  440   2HE   MET  59           HME      MET  59  -9.966  -9.483  -4.374
  441   3HE   MET  59           HME      MET  59  -8.253  -9.194  -4.772
  442    H    PHE  60           HN       PHE  60  -9.706  -3.629   0.031
  443    HA   PHE  60           HA       PHE  60  -9.237  -5.483   2.314
  444   1HB   PHE  60           HBR      PHE  60  -7.611  -3.153   1.310
  445   2HB   PHE  60           HBS      PHE  60  -7.688  -3.465   3.068
  446    HD1  PHE  60           HD2      PHE  60  -7.415  -6.242   3.524
  447    HD2  PHE  60           HD1      PHE  60  -5.852  -3.973   0.274
  448    HE1  PHE  60           HE2      PHE  60  -5.723  -8.000   3.118
  449    HE2  PHE  60           HE1      PHE  60  -4.169  -5.706  -0.154
  450    HZ   PHE  60           HZ       PHE  60  -4.140  -7.747   1.228
  451    H    GLY  61           HN       GLY  61  -8.927  -3.779   4.335
  452   1HA   GLY  61           HAR      GLY  61 -10.015  -1.542   4.972
  453   2HA   GLY  61           HAS      GLY  61 -11.542  -2.353   4.528
  454    HA   PRO  62           HA       PRO  62 -10.049  -3.389   8.975
  455   1HB   PRO  62           HBS      PRO  62 -11.073  -1.250  10.237
  456   2HB   PRO  62           HBR      PRO  62  -9.470  -1.547  10.042
  457   1HG   PRO  62           HGS      PRO  62 -11.086   0.317   8.730
  458   2HG   PRO  62           HGR      PRO  62  -9.422   0.305   8.862
  459   1HD   PRO  62           HDS      PRO  62 -10.802  -0.347   6.652
  460   2HD   PRO  62           HDR      PRO  62  -9.204  -0.683   6.913
  461    H    LYS  63           HN       LYS  63 -11.270  -4.755   9.991
  462    HA   LYS  63           HA       LYS  63 -13.778  -5.312   8.897
  463   1HB   LYS  63           HBS      LYS  63 -14.089  -6.896  10.700
  464   2HB   LYS  63           HBR      LYS  63 -12.409  -6.962  10.096
  465   1HG   LYS  63           HGR      LYS  63 -13.173  -5.349  12.546
  466   2HG   LYS  63           HGS      LYS  63 -12.770  -7.088  12.641
  467   1HD   LYS  63           HDS      LYS  63 -10.621  -6.463  11.390
  468   2HD   LYS  63           HDR      LYS  63 -11.020  -4.812  11.772
  469   1HE   LYS  63           HES      LYS  63 -11.264  -6.357  14.162
  470   2HE   LYS  63           HER      LYS  63  -9.692  -6.691  13.381
  471   1HZ   LYS  63           HZA      LYS  63  -9.709  -4.118  13.173
  472   2HZ   LYS  63           HZB      LYS  63 -10.713  -4.202  14.459
  473   3HZ   LYS  63           HZC      LYS  63  -9.213  -4.841  14.550
  474    H    GLY  64           HN       GLY  64 -12.896  -3.009  11.292
  475   1HA   GLY  64           HAR      GLY  64 -15.552  -1.895  11.176
  476   2HA   GLY  64           HAS      GLY  64 -15.179  -2.508  12.808
  477    H    PHE  65           HN       PHE  65 -13.357  -1.657  13.936
  478    HA   PHE  65           HA       PHE  65 -11.560   0.201  12.828
  479   1HB   PHE  65           HBS      PHE  65 -13.917   1.555  13.424
  480   2HB   PHE  65           HBR      PHE  65 -12.915   1.808  14.883
  481    HD1  PHE  65           HD2      PHE  65 -10.163   1.971  13.697
  482    HD2  PHE  65           HD1      PHE  65 -13.892   3.461  12.270
  483    HE1  PHE  65           HE2      PHE  65  -8.975   3.778  12.495
  484    HE2  PHE  65           HE1      PHE  65 -12.738   5.263  11.071
  485    HZ   PHE  65           HZ       PHE  65 -10.285   5.460  11.231
  486    H    GLY  66           HN       GLY  66 -13.286  -0.781  15.779
  487   1HA   GLY  66           HAS      GLY  66 -10.621  -1.268  17.043
  488   2HA   GLY  66           HAR      GLY  66 -12.056  -0.794  17.989
  489    H    ARG  67           HN       ARG  67 -14.006  -2.221  17.698
  490    HA   ARG  67           HA       ARG  67 -13.965  -4.671  16.391
  491   1HB   ARG  67           HBR      ARG  67 -13.717  -6.326  18.108
  492   2HB   ARG  67           HBS      ARG  67 -12.232  -5.334  18.025
  493   1HG   ARG  67           HGS      ARG  67 -12.831  -4.158  20.038
  494   2HG   ARG  67           HGR      ARG  67 -14.433  -4.949  20.078
  495   1HD   ARG  67           HDS      ARG  67 -11.715  -6.133  20.563
  496   2HD   ARG  67           HDR      ARG  67 -13.140  -6.099  21.639
  497    HE   ARG  67           HE       ARG  67 -14.041  -7.919  20.481
  498   1HH1  ARG  67           HH1      ARG  67 -10.943  -6.934  19.113
  499   2HH1  ARG  67           HH1      ARG  67 -10.875  -8.278  18.022
  500   1HH2  ARG  67           HH2      ARG  67 -13.979  -9.591  18.950
  501   2HH2  ARG  67           HH2      ARG  67 -12.591  -9.782  17.930
  502    H    GLY  68           HN       GLY  68 -15.829  -6.006  16.899
  503   1HA   GLY  68           HAR      GLY  68 -18.174  -4.359  17.377
  504   2HA   GLY  68           HAS      GLY  68 -18.136  -6.116  17.074
  505    H    GLY  69           HN       GLY  69 -17.128  -7.423  18.915
  506   1HA   GLY  69           HAS      GLY  69 -17.111  -6.867  21.617
  507   2HA   GLY  69           HAR      GLY  69 -18.843  -6.890  21.192
  508    H    ALA  70           HN       ALA  70 -18.489  -8.733  22.843
  509    HA   ALA  70           HA       ALA  70 -17.177 -11.112  21.799
  510   1HB   ALA  70           HMB      ALA  70 -18.634 -10.549  24.395
  511   2HB   ALA  70           HMB      ALA  70 -17.740 -12.043  24.013
  512   3HB   ALA  70           HMB      ALA  70 -16.877 -10.486  24.111
  513    H    GLU  71           HN       GLU  71 -20.468  -9.984  22.441
  514    HA   GLU  71           HA       GLU  71 -21.530 -12.532  21.290
  515   1HB   GLU  71           HBS      GLU  71 -22.161 -11.010  23.570
  516   2HB   GLU  71           HBR      GLU  71 -23.456 -10.757  22.536
  517   1HG   GLU  71           HGS      GLU  71 -24.191 -12.948  22.722
  518   2HG   GLU  71           HGR      GLU  71 -22.547 -13.635  22.827
  519    H    SER  72           HN       SER  72 -21.636 -12.160  19.181
  520    HA   SER  72           HA       SER  72 -23.731 -10.404  18.306
  521   1HB   SER  72           HBR      SER  72 -21.331  -9.121  18.304
  522   2HB   SER  72           HBS      SER  72 -21.345  -9.844  16.669
  523    HG   SER  72           HG       SER  72 -23.510  -9.050  16.377
  524    H    HIS  73           HN       HIS  73 -24.758 -12.138  17.531
  525    HA   HIS  73           HA       HIS  73 -23.450 -13.730  15.396
  526   1HB   HIS  73           HBR      HIS  73 -26.238 -14.078  16.580
  527   2HB   HIS  73           HBS      HIS  73 -25.452 -15.123  15.363
  528    HD1  HIS  73           HD1      HIS  73 -23.079 -14.070  17.989
  529    HD2  HIS  73           HD2      HIS  73 -25.875 -17.111  17.461
  530    HE1  HIS  73           HE1      HIS  73 -22.623 -15.767  19.777
  531    HE2  HIS  73           HE2      HIS  73 -24.326 -17.599  19.477
  532    H    THR  74           HN       THR  74 -25.499 -14.262  13.752
  533    HA   THR  74           HA       THR  74 -25.955 -11.860  12.222
  534    HB   THR  74           HB       THR  74 -27.576 -14.438  11.968
  535    HG1  THR  74           HG1      THR  74 -25.813 -15.066  12.173
  536   1HG2  THR  74           HMG      THR  74 -26.864 -12.170  10.154
  537   2HG2  THR  74           HMG      THR  74 -27.083 -13.796   9.459
  538   3HG2  THR  74           HMG      THR  74 -28.412 -13.028  10.366
  539    H    PHE  75           HN       PHE  75 -27.705 -13.675  14.690
  540    HA   PHE  75           HA       PHE  75 -30.013 -11.857  14.609
  541   1HB   PHE  75           HBS      PHE  75 -29.758 -14.440  15.574
  542   2HB   PHE  75           HBR      PHE  75 -29.663 -13.455  17.064
  543    HD1  PHE  75           HD1      PHE  75 -31.510 -13.229  13.869
  544    HD2  PHE  75           HD2      PHE  75 -31.803 -13.271  18.120
  545    HE1  PHE  75           HE1      PHE  75 -33.946 -12.991  13.684
  546    HE2  PHE  75           HE2      PHE  75 -34.259 -13.028  17.960
  547    HZ   PHE  75           HZ       PHE  75 -35.328 -12.952  15.726
  548    H    LYS  76           HN       LYS  76 -30.493 -11.347  17.208
  549    HA   LYS  76           HA       LYS  76 -28.510  -9.340  17.974
  550   1HB   LYS  76           HBR      LYS  76 -29.940  -8.932  19.880
  551   2HB   LYS  76           HBS      LYS  76 -30.901  -8.953  18.374
  552   1HG   LYS  76           HGR      LYS  76 -32.208 -10.611  19.130
  553   2HG   LYS  76           HGS      LYS  76 -30.798 -11.588  19.631
  554   1HD   LYS  76           HDS      LYS  76 -32.281 -11.100  21.499
  555   2HD   LYS  76           HDR      LYS  76 -30.656 -10.513  21.713
  556   1HE   LYS  76           HES      LYS  76 -31.237  -8.322  21.653
  557   2HE   LYS  76           HER      LYS  76 -32.620  -8.623  20.563
  558   1HZ   LYS  76           HZB      LYS  76 -33.372  -9.905  22.743
  559   2HZ   LYS  76           HZC      LYS  76 -32.502  -8.707  23.429
  560   3HZ   LYS  76           HZA      LYS  76 -33.752  -8.346  22.443
   
  No H/Q in entry =         560
  Start of MODEL    5
    1    H    PRO   1           HN       PRO   1  12.658   3.683   4.620
    2    HA   PRO   1           HA       PRO   1  14.415   4.450   3.253
    3   1HB   PRO   1           HBR      PRO   1  16.524   2.932   4.059
    4   2HB   PRO   1           HBS      PRO   1  16.383   4.559   4.217
    5   1HG   PRO   1           HGR      PRO   1  16.108   2.613   6.194
    6   2HG   PRO   1           HGS      PRO   1  16.357   4.254   6.359
    7   1HD   PRO   1           HDR      PRO   1  14.042   3.015   6.844
    8   2HD   PRO   1           HDS      PRO   1  14.203   4.641   6.588
    9    H    LYS   2           HN       LYS   2  13.343   1.452   4.217
   10    HA   LYS   2           HA       LYS   2  14.263   0.225   1.659
   11   1HB   LYS   2           HBS      LYS   2  15.296  -0.734   3.675
   12   2HB   LYS   2           HBR      LYS   2  13.674  -1.091   4.334
   13   1HG   LYS   2           HGS      LYS   2  13.497  -2.346   1.933
   14   2HG   LYS   2           HGR      LYS   2  15.252  -2.498   2.238
   15   1HD   LYS   2           HDR      LYS   2  13.166  -3.209   4.285
   16   2HD   LYS   2           HDS      LYS   2  13.599  -4.340   3.033
   17   1HE   LYS   2           HER      LYS   2  15.117  -5.041   4.509
   18   2HE   LYS   2           HES      LYS   2  16.063  -3.625   3.968
   19   1HZ   LYS   2           HZB      LYS   2  15.031  -2.385   5.767
   20   2HZ   LYS   2           HZC      LYS   2  14.253  -3.726   6.283
   21   3HZ   LYS   2           HZA      LYS   2  15.883  -3.660   6.332
   22    H    CYS   3           HN       CYS   3  12.858  -0.873   0.423
   23    HA   CYS   3           HA       CYS   3  10.271   0.136   0.525
   24   1HB   CYS   3           HBS      CYS   3  11.728  -0.444  -1.457
   25   2HB   CYS   3           HBR      CYS   3  11.187  -2.133  -1.236
   26    HA   PRO   4           HA       PRO   4   8.126  -3.077   2.766
   27   1HB   PRO   4           HBR      PRO   4   5.793  -1.658   2.437
   28   2HB   PRO   4           HBS      PRO   4   6.649  -1.849   3.825
   29   1HG   PRO   4           HGS      PRO   4   6.375   0.441   2.501
   30   2HG   PRO   4           HGR      PRO   4   7.513   0.152   3.687
   31   1HD   PRO   4           HDS      PRO   4   7.853   0.180   0.875
   32   2HD   PRO   4           HDR      PRO   4   8.972   0.507   2.049
   33    H    LYS   5           HN       LYS   5   7.956  -2.100  -0.367
   34    HA   LYS   5           HA       LYS   5   5.922  -4.119  -1.096
   35   1HB   LYS   5           HBR      LYS   5   6.400  -1.657  -2.129
   36   2HB   LYS   5           HBS      LYS   5   7.398  -2.665  -3.215
   37   1HG   LYS   5           HGR      LYS   5   5.475  -4.002  -3.831
   38   2HG   LYS   5           HGS      LYS   5   4.454  -3.162  -2.629
   39   1HD   LYS   5           HDS      LYS   5   3.811  -1.862  -4.286
   40   2HD   LYS   5           HDR      LYS   5   5.340  -1.065  -4.047
   41   1HE   LYS   5           HES      LYS   5   5.396  -1.396  -6.303
   42   2HE   LYS   5           HER      LYS   5   6.258  -2.843  -5.705
   43   1HZ   LYS   5           HZB      LYS   5   3.437  -3.180  -5.893
   44   2HZ   LYS   5           HZC      LYS   5   4.134  -2.867  -7.337
   45   3HZ   LYS   5           HZA      LYS   5   4.643  -4.137  -6.443
   46    H    CYS   6           HN       CYS   6   9.048  -3.201  -2.579
   47    HA   CYS   6           HA       CYS   6   9.114  -5.926  -3.638
   48   1HB   CYS   6           HBS      CYS   6  10.766  -5.145  -5.195
   49   2HB   CYS   6           HBR      CYS   6   9.327  -4.093  -5.176
   50    H    ASP   7           HN       ASP   7  10.545  -4.242  -1.064
   51    HA   ASP   7           HA       ASP   7  12.179  -4.735   0.416
   52   1HB   ASP   7           HBR      ASP   7  11.379  -7.294  -0.626
   53   2HB   ASP   7           HBS      ASP   7  13.116  -7.284  -0.208
   54    H    LYS   8           HN       LYS   8  12.966  -3.092  -1.392
   55    HA   LYS   8           HA       LYS   8  15.828  -3.885  -1.551
   56   1HB   LYS   8           HBR      LYS   8  14.404  -3.109  -3.773
   57   2HB   LYS   8           HBS      LYS   8  15.068  -1.558  -3.187
   58   1HG   LYS   8           HGS      LYS   8  17.082  -2.048  -4.020
   59   2HG   LYS   8           HGR      LYS   8  17.124  -3.593  -3.123
   60   1HD   LYS   8           HDR      LYS   8  15.911  -3.044  -5.834
   61   2HD   LYS   8           HDS      LYS   8  17.412  -3.879  -5.541
   62   1HE   LYS   8           HER      LYS   8  16.388  -5.808  -4.989
   63   2HE   LYS   8           HES      LYS   8  15.036  -4.985  -4.163
   64   1HZ   LYS   8           HZB      LYS   8  15.222  -4.727  -7.039
   65   2HZ   LYS   8           HZC      LYS   8  14.736  -6.170  -6.449
   66   3HZ   LYS   8           HZA      LYS   8  13.902  -4.814  -6.083
   67    H    GLU   9           HN       GLU   9  16.990  -1.501  -1.771
   68    HA   GLU   9           HA       GLU   9  15.939   0.155   0.485
   69   1HB   GLU   9           HBR      GLU   9  18.532   0.815  -0.734
   70   2HB   GLU   9           HBS      GLU   9  17.985   0.901   0.845
   71   1HG   GLU   9           HGR      GLU   9  18.064  -1.754   0.897
   72   2HG   GLU   9           HGS      GLU   9  19.130  -1.492  -0.510
   73    H    VAL  10           HN       VAL  10  15.775   2.402   0.157
   74    HA   VAL  10           HA       VAL  10  14.945   2.899  -2.645
   75    HB   VAL  10           HB       VAL  10  13.726   3.597   0.026
   76   1HG1  VAL  10           HMG      VAL  10  13.611   5.413  -1.962
   77   2HG1  VAL  10           HMG      VAL  10  12.229   4.385  -2.408
   78   3HG1  VAL  10           HMG      VAL  10  12.297   5.133  -0.796
   79   1HG2  VAL  10           HMG      VAL  10  13.455   1.381  -1.538
   80   2HG2  VAL  10           HMG      VAL  10  12.276   1.958  -0.339
   81   3HG2  VAL  10           HMG      VAL  10  12.068   2.377  -2.055
   82    H    TYR  11           HN       TYR  11  15.905   4.411  -3.730
   83    HA   TYR  11           HA       TYR  11  17.993   6.030  -2.468
   84   1HB   TYR  11           HBS      TYR  11  18.198   4.955  -4.750
   85   2HB   TYR  11           HBR      TYR  11  16.997   6.141  -5.335
   86    HD1  TYR  11           HD1      TYR  11  20.249   6.118  -3.420
   87    HD2  TYR  11           HD2      TYR  11  17.796   8.081  -6.288
   88    HE1  TYR  11           HE1      TYR  11  22.017   7.784  -3.783
   89    HE2  TYR  11           HE2      TYR  11  19.543   9.770  -6.637
   90    HH   TYR  11           HH       TYR  11  21.767  10.079  -6.465
   91    H    PHE  12           HN       PHE  12  18.066   8.341  -2.721
   92    HA   PHE  12           HA       PHE  12  16.036   9.279  -1.187
   93   1HB   PHE  12           HBR      PHE  12  18.461  10.328  -1.909
   94   2HB   PHE  12           HBS      PHE  12  17.340  11.475  -2.699
   95    HD1  PHE  12           HD2      PHE  12  18.210   9.984   0.650
   96    HD2  PHE  12           HD1      PHE  12  16.143  13.004  -1.530
   97    HE1  PHE  12           HE2      PHE  12  17.841  11.239   2.750
   98    HE2  PHE  12           HE1      PHE  12  15.763  14.269   0.537
   99    HZ   PHE  12           HZ       PHE  12  16.666  13.419   2.670
  100    H    ALA  13           HN       ALA  13  16.609  10.976  -4.270
  101    HA   ALA  13           HA       ALA  13  14.065  11.855  -4.536
  102   1HB   ALA  13           HMB      ALA  13  16.448  12.030  -5.955
  103   2HB   ALA  13           HMB      ALA  13  15.301  11.368  -7.148
  104   3HB   ALA  13           HMB      ALA  13  14.944  12.909  -6.327
  105    H    GLU  14           HN       GLU  14  14.925   8.666  -4.901
  106    HA   GLU  14           HA       GLU  14  12.433   8.088  -6.447
  107   1HB   GLU  14           HBS      GLU  14  14.681   6.230  -5.833
  108   2HB   GLU  14           HBR      GLU  14  13.378   5.877  -6.831
  109   1HG   GLU  14           HGR      GLU  14  14.258   7.693  -8.478
  110   2HG   GLU  14           HGS      GLU  14  15.563   7.944  -7.287
  111    H    ARG  15           HN       ARG  15  12.543   9.023  -3.764
  112    HA   ARG  15           HA       ARG  15  11.358   6.600  -2.488
  113   1HB   ARG  15           HBR      ARG  15  11.690   7.544  -0.365
  114   2HB   ARG  15           HBS      ARG  15  13.223   7.754  -1.255
  115   1HG   ARG  15           HGS      ARG  15  12.178  10.152  -1.757
  116   2HG   ARG  15           HGR      ARG  15  11.282   9.796  -0.253
  117   1HD   ARG  15           HDR      ARG  15  13.398   9.330   0.880
  118   2HD   ARG  15           HDS      ARG  15  14.279   9.732  -0.621
  119    HE   ARG  15           HE       ARG  15  13.574  12.024  -0.363
  120   1HH1  ARG  15           HH1      ARG  15  12.541   9.985   2.321
  121   2HH1  ARG  15           HH1      ARG  15  12.522  11.295   3.452
  122   1HH2  ARG  15           HH2      ARG  15  13.649  13.692   1.172
  123   2HH2  ARG  15           HH2      ARG  15  13.142  13.394   2.802
  124    H    VAL  16           HN       VAL  16   9.353   6.687  -1.560
  125    HA   VAL  16           HA       VAL  16   8.048   9.279  -1.333
  126    HB   VAL  16           HB       VAL  16   5.899   8.582  -2.138
  127   1HG1  VAL  16           HMG      VAL  16   8.102   8.149  -4.165
  128   2HG1  VAL  16           HMG      VAL  16   6.378   8.285  -4.585
  129   3HG1  VAL  16           HMG      VAL  16   7.215   9.650  -3.806
  130   1HG2  VAL  16           HMG      VAL  16   7.188   5.910  -2.418
  131   2HG2  VAL  16           HMG      VAL  16   5.564   6.354  -1.843
  132   3HG2  VAL  16           HMG      VAL  16   5.926   6.369  -3.585
  133    H    THR  17           HN       THR  17   6.593   9.374   0.393
  134    HA   THR  17           HA       THR  17   7.358   7.346   2.419
  135    HB   THR  17           HB       THR  17   6.584  10.232   3.052
  136    HG1  THR  17           HG1      THR  17   8.171  10.888   2.451
  137   1HG2  THR  17           HMG      THR  17   7.680   8.005   4.540
  138   2HG2  THR  17           HMG      THR  17   8.761   9.419   4.605
  139   3HG2  THR  17           HMG      THR  17   7.062   9.572   5.119
  140    H    SER  18           HN       SER  18   5.941   6.566   3.883
  141    HA   SER  18           HA       SER  18   3.221   7.230   4.172
  142   1HB   SER  18           HBR      SER  18   3.098   6.726   1.753
  143   2HB   SER  18           HBS      SER  18   3.657   5.064   2.103
  144    HG   SER  18           HG       SER  18   1.185   6.333   2.361
  145    H    LEU  19           HN       LEU  19   2.268   5.996   5.684
  146    HA   LEU  19           HA       LEU  19   2.249   4.721   7.583
  147   1HB   LEU  19           HBR      LEU  19   3.436   2.881   5.498
  148   2HB   LEU  19           HBS      LEU  19   3.016   2.335   7.147
  149    HG   LEU  19           HG       LEU  19   1.244   1.681   5.730
  150   1HD1  LEU  19           HMD      LEU  19   0.544   2.678   7.869
  151   2HD1  LEU  19           HMD      LEU  19   0.437   4.275   7.085
  152   3HD1  LEU  19           HMD      LEU  19  -0.655   2.962   6.582
  153   1HD2  LEU  19           HMD      LEU  19   1.950   3.306   3.921
  154   2HD2  LEU  19           HMD      LEU  19   0.193   3.107   4.138
  155   3HD2  LEU  19           HMD      LEU  19   1.014   4.550   4.786
  156    H    GLY  20           HN       GLY  20   4.736   6.353   6.810
  157   1HA   GLY  20           HAR      GLY  20   6.188   7.120   8.475
  158   2HA   GLY  20           HAS      GLY  20   6.129   5.521   9.260
  159    H    LYS  21           HN       LYS  21   6.563   4.454   6.343
  160    HA   LYS  21           HA       LYS  21   9.519   4.749   6.389
  161   1HB   LYS  21           HBS      LYS  21   8.168   2.345   6.975
  162   2HB   LYS  21           HBR      LYS  21   8.715   2.203   5.280
  163   1HG   LYS  21           HGS      LYS  21  10.500   1.320   6.510
  164   2HG   LYS  21           HGR      LYS  21  11.013   2.999   6.183
  165   1HD   LYS  21           HDS      LYS  21   9.570   3.052   8.603
  166   2HD   LYS  21           HDR      LYS  21  10.521   1.595   8.670
  167   1HE   LYS  21           HES      LYS  21  12.228   2.815   9.354
  168   2HE   LYS  21           HER      LYS  21  12.300   3.473   7.693
  169   1HZ   LYS  21           HZB      LYS  21  10.535   4.624   9.723
  170   2HZ   LYS  21           HZC      LYS  21  12.093   5.094   9.585
  171   3HZ   LYS  21           HZA      LYS  21  11.064   5.298   8.333
  172    H    ASP  22           HN       ASP  22  10.457   4.193   4.267
  173    HA   ASP  22           HA       ASP  22   8.912   5.717   2.364
  174   1HB   ASP  22           HBS      ASP  22  11.733   4.781   1.955
  175   2HB   ASP  22           HBR      ASP  22  10.911   6.235   1.320
  176    H    TRP  23           HN       TRP  23   9.103   5.244   0.011
  177    HA   TRP  23           HA       TRP  23   9.242   2.356  -0.672
  178   1HB   TRP  23           HBR      TRP  23   7.055   4.283  -1.466
  179   2HB   TRP  23           HBS      TRP  23   7.112   2.510  -1.731
  180    HD1  TRP  23           HD1      TRP  23   6.617   5.127   1.068
  181    HE1  TRP  23           HE1      TRP  23   5.019   4.131   2.817
  182    HE3  TRP  23           HE3      TRP  23   6.240   0.434  -0.855
  183    HZ2  TRP  23           HZ2      TRP  23   3.687   1.696   3.228
  184    HZ3  TRP  23           HZ3      TRP  23   4.854  -1.209   0.326
  185    HH2  TRP  23           HH2      TRP  23   3.512  -0.568   2.260
  186    H    HIS  24           HN       ZHI  24   9.227   2.018  -3.036
  187    HA   HIS  24           HA       ZHI  24  10.740   4.022  -4.458
  188   1HB   HIS  24           HBS      ZHI  24   9.598   1.366  -5.437
  189   2HB   HIS  24           HBR      ZHI  24  10.685   2.434  -6.371
  190    HD2  HIS  24           HD2      ZHI  24  12.971   3.079  -4.287
  191    HE1  HIS  24           HE1      ZHI  24  12.905  -0.856  -2.881
  192    HE2  HIS  24           HE2      ZHI  24  14.357   1.174  -3.220
  193    H    ARG  25           HN       ARG  25  10.205   5.182  -6.251
  194    HA   ARG  25           HA       ARG  25   7.637   6.369  -6.142
  195   1HB   ARG  25           HBR      ARG  25  10.063   7.020  -7.300
  196   2HB   ARG  25           HBS      ARG  25   9.024   6.680  -8.713
  197   1HG   ARG  25           HGS      ARG  25   7.340   8.262  -7.395
  198   2HG   ARG  25           HGR      ARG  25   8.860   8.873  -6.684
  199   1HD   ARG  25           HDR      ARG  25   8.984  10.175  -8.471
  200   2HD   ARG  25           HDS      ARG  25   9.459   8.696  -9.353
  201    HE   ARG  25           HE       ARG  25   6.855  10.053  -9.439
  202   1HH1  ARG  25           HH1      ARG  25   8.938   7.428 -10.535
  203   2HH1  ARG  25           HH1      ARG  25   7.797   6.869 -11.712
  204   1HH2  ARG  25           HH2      ARG  25   5.336   9.213 -10.898
  205   2HH2  ARG  25           HH2      ARG  25   5.761   7.880 -11.920
  206    HA   PRO  26           HA       PRO  26   6.805   3.722 -10.131
  207   1HB   PRO  26           HBR      PRO  26   8.381   1.539 -10.257
  208   2HB   PRO  26           HBS      PRO  26   8.481   2.842 -11.250
  209   1HG   PRO  26           HGS      PRO  26  10.174   2.132  -9.152
  210   2HG   PRO  26           HGR      PRO  26  10.480   3.156 -10.433
  211   1HD   PRO  26           HDS      PRO  26  10.009   3.951  -7.922
  212   2HD   PRO  26           HDR      PRO  26   9.920   4.923  -9.256
  213    H    CYS  27           HN       CYS  27   7.902   2.130  -7.279
  214    HA   CYS  27           HA       CYS  27   6.289  -0.156  -7.512
  215   1HB   CYS  27           HBS      CYS  27   7.794   1.188  -5.328
  216   2HB   CYS  27           HBR      CYS  27   6.540   0.008  -4.853
  217    H    LEU  28           HN       LEU  28   5.686   2.915  -5.801
  218    HA   LEU  28           HA       LEU  28   3.381   1.999  -4.457
  219   1HB   LEU  28           HBR      LEU  28   5.025   3.935  -4.018
  220   2HB   LEU  28           HBS      LEU  28   3.974   4.883  -5.108
  221    HG   LEU  28           HG       LEU  28   2.091   4.063  -3.449
  222   1HD1  LEU  28           HMD      LEU  28   4.176   2.849  -2.221
  223   2HD1  LEU  28           HMD      LEU  28   4.199   4.428  -1.394
  224   3HD1  LEU  28           HMD      LEU  28   2.723   3.429  -1.368
  225   1HD2  LEU  28           HMD      LEU  28   3.865   6.339  -3.696
  226   2HD2  LEU  28           HMD      LEU  28   2.123   6.289  -3.324
  227   3HD2  LEU  28           HMD      LEU  28   3.319   6.140  -2.012
  228    H    LYS  29           HN       LYS  29   1.914   1.053  -5.793
  229    HA   LYS  29           HA       LYS  29   0.293   2.834  -7.510
  230   1HB   LYS  29           HBR      LYS  29   2.299   1.642  -8.746
  231   2HB   LYS  29           HBS      LYS  29   1.218   0.223  -8.657
  232   1HG   LYS  29           HGR      LYS  29  -0.570   1.848  -9.666
  233   2HG   LYS  29           HGS      LYS  29   0.850   2.820 -10.148
  234   1HD   LYS  29           HDR      LYS  29   0.766  -0.092 -10.771
  235   2HD   LYS  29           HDS      LYS  29  -0.199   0.992 -11.736
  236   1HE   LYS  29           HES      LYS  29   1.651   2.038 -12.648
  237   2HE   LYS  29           HER      LYS  29   2.673   1.644 -11.238
  238   1HZ   LYS  29           HZC      LYS  29   1.666  -0.546 -12.841
  239   2HZ   LYS  29           HZA      LYS  29   2.871   0.355 -13.474
  240   3HZ   LYS  29           HZB      LYS  29   3.082  -0.402 -12.042
  241    H    CYS  30           HN       CYS  30  -1.765   2.119  -7.846
  242    HA   CYS  30           HA       CYS  30  -2.849   0.081  -6.133
  243   1HB   CYS  30           HBS      CYS  30  -3.981   2.192  -7.071
  244   2HB   CYS  30           HBR      CYS  30  -4.253   1.207  -8.538
  245    H    GLU  31           HN       GLU  31  -2.719  -1.994  -6.388
  246    HA   GLU  31           HA       GLU  31  -2.711  -3.190  -9.110
  247   1HB   GLU  31           HBR      GLU  31  -1.349  -3.778  -6.837
  248   2HB   GLU  31           HBS      GLU  31  -2.738  -4.677  -6.563
  249   1HG   GLU  31           HGS      GLU  31  -0.744  -5.829  -7.753
  250   2HG   GLU  31           HGR      GLU  31  -2.402  -6.248  -8.261
  251    H    LYS  32           HN       LYS  32  -5.006  -1.722  -8.084
  252    HA   LYS  32           HA       LYS  32  -6.956  -3.950  -8.473
  253   1HB   LYS  32           HBR      LYS  32  -6.856  -2.439  -6.254
  254   2HB   LYS  32           HBS      LYS  32  -7.842  -1.365  -7.288
  255   1HG   LYS  32           HGR      LYS  32  -9.188  -2.901  -5.840
  256   2HG   LYS  32           HGS      LYS  32  -9.515  -3.078  -7.587
  257   1HD   LYS  32           HDS      LYS  32  -8.152  -5.056  -7.702
  258   2HD   LYS  32           HDR      LYS  32  -7.634  -4.850  -6.051
  259   1HE   LYS  32           HER      LYS  32  -9.268  -6.568  -6.125
  260   2HE   LYS  32           HES      LYS  32  -9.959  -5.155  -5.277
  261   1HZ   LYS  32           HZB      LYS  32 -10.478  -5.024  -8.031
  262   2HZ   LYS  32           HZC      LYS  32 -11.002  -6.455  -7.444
  263   3HZ   LYS  32           HZA      LYS  32 -11.534  -5.059  -6.786
  264    H    CYS  33           HN       CYS  33  -6.599  -0.396  -8.835
  265    HA   CYS  33           HA       CYS  33  -8.037  -0.647 -11.400
  266   1HB   CYS  33           HBS      CYS  33  -8.489   1.698 -11.246
  267   2HB   CYS  33           HBR      CYS  33  -8.963   0.848  -9.751
  268    H    GLY  34           HN       GLY  34  -4.886  -0.019 -10.131
  269   1HA   GLY  34           HAR      GLY  34  -2.871   0.263 -11.196
  270   2HA   GLY  34           HAS      GLY  34  -3.743   0.085 -12.742
  271    H    LYS  35           HN       LYS  35  -4.105   2.516 -10.142
  272    HA   LYS  35           HA       LYS  35  -2.993   4.578 -11.993
  273   1HB   LYS  35           HBR      LYS  35  -3.920   6.272 -10.570
  274   2HB   LYS  35           HBS      LYS  35  -5.212   5.141 -11.060
  275   1HG   LYS  35           HGR      LYS  35  -5.052   4.037  -8.840
  276   2HG   LYS  35           HGS      LYS  35  -3.814   5.231  -8.357
  277   1HD   LYS  35           HDR      LYS  35  -6.698   5.740  -9.027
  278   2HD   LYS  35           HDS      LYS  35  -5.956   5.843  -7.455
  279   1HE   LYS  35           HES      LYS  35  -4.515   7.699  -8.328
  280   2HE   LYS  35           HER      LYS  35  -5.445   7.603  -9.850
  281   1HZ   LYS  35           HZB      LYS  35  -6.879   7.914  -7.344
  282   2HZ   LYS  35           HZC      LYS  35  -6.138   9.221  -7.985
  283   3HZ   LYS  35           HZA      LYS  35  -7.280   8.427  -8.841
  284    H    THR  36           HN       THR  36  -1.052   5.344 -11.601
  285    HA   THR  36           HA       THR  36   0.625   4.598  -9.409
  286    HB   THR  36           HB       THR  36   0.841   7.130 -11.129
  287    HG1  THR  36           HG1      THR  36   1.811   4.603 -11.372
  288   1HG2  THR  36           HMG      THR  36   2.853   5.580  -9.498
  289   2HG2  THR  36           HMG      THR  36   3.328   6.688 -10.812
  290   3HG2  THR  36           HMG      THR  36   2.422   7.307  -9.408
  291    H    LEU  37           HN       LEU  37   1.020   5.524  -7.493
  292    HA   LEU  37           HA       LEU  37  -1.304   7.018  -6.504
  293   1HB   LEU  37           HBR      LEU  37   0.869   5.398  -5.139
  294   2HB   LEU  37           HBS      LEU  37  -0.562   6.103  -4.335
  295    HG   LEU  37           HG       LEU  37  -0.793   4.095  -6.576
  296   1HD1  LEU  37           HMD      LEU  37  -0.589   3.614  -3.586
  297   2HD1  LEU  37           HMD      LEU  37  -1.154   2.413  -4.775
  298   3HD1  LEU  37           HMD      LEU  37   0.519   3.022  -4.849
  299   1HD2  LEU  37           HMD      LEU  37  -2.548   5.513  -4.648
  300   2HD2  LEU  37           HMD      LEU  37  -2.881   4.930  -6.298
  301   3HD2  LEU  37           HMD      LEU  37  -2.914   3.792  -4.927
  302    H    THR  38           HN       THR  38  -0.844   8.383  -4.485
  303    HA   THR  38           HA       THR  38   0.844  10.523  -5.630
  304    HB   THR  38           HB       THR  38  -0.962  11.631  -3.709
  305    HG1  THR  38           HG1      THR  38  -2.004   9.872  -5.496
  306   1HG2  THR  38           HMG      THR  38  -0.746  11.668  -6.687
  307   2HG2  THR  38           HMG      THR  38  -2.218  12.319  -5.921
  308   3HG2  THR  38           HMG      THR  38  -0.622  12.990  -5.497
  309    H    SER  39           HN       SER  39   1.052  12.337  -3.745
  310    HA   SER  39           HA       SER  39   2.767  11.230  -1.652
  311   1HB   SER  39           HBS      SER  39   2.590  13.689  -0.840
  312   2HB   SER  39           HBR      SER  39   3.550  13.294  -2.295
  313    HG   SER  39           HG       SER  39   1.597  15.067  -1.942
  314    H    GLY  40           HN       GLY  40   1.018   9.760  -0.972
  315   1HA   GLY  40           HAR      GLY  40  -0.202   9.154   0.882
  316   2HA   GLY  40           HAS      GLY  40  -0.181  10.862   1.401
  317    H    GLY  41           HN       GLY  41  -1.475   9.204  -1.502
  318   1HA   GLY  41           HAR      GLY  41  -4.221   9.685  -0.444
  319   2HA   GLY  41           HAS      GLY  41  -3.881   9.844  -2.186
  320    H    HIS  42           HN       HIS  42  -1.825   7.496  -1.057
  321    HA   HIS  42           HA       HIS  42  -3.676   5.349  -1.745
  322   1HB   HIS  42           HBS      HIS  42  -1.685   3.980  -2.056
  323   2HB   HIS  42           HBR      HIS  42  -1.496   5.546  -2.900
  324    HD1  HIS  42           HD1      HIS  42   0.323   3.330  -0.637
  325    HD2  HIS  42           HD2      HIS  42   0.009   7.448  -1.165
  326    HE1  HIS  42           HE1      HIS  42   2.160   4.361   0.725
  327    HE2  HIS  42           HE2      HIS  42   2.065   6.841   0.284
  328    H    ALA  43           HN       ALA  43  -2.521   3.165  -0.651
  329    HA   ALA  43           HA       ALA  43  -2.028   3.582   2.192
  330   1HB   ALA  43           HMB      ALA  43  -4.523   2.418   1.228
  331   2HB   ALA  43           HMB      ALA  43  -3.603   1.307   2.273
  332   3HB   ALA  43           HMB      ALA  43  -4.046   2.929   2.867
  333    H    GLU  44           HN       GLU  44  -1.816   1.015   3.005
  334    HA   GLU  44           HA       GLU  44  -0.759  -0.723   0.867
  335   1HB   GLU  44           HBS      GLU  44   1.261  -1.102   2.065
  336   2HB   GLU  44           HBR      GLU  44   1.198   0.455   1.444
  337   1HG   GLU  44           HGR      GLU  44   1.825   1.148   3.619
  338   2HG   GLU  44           HGS      GLU  44   0.130   0.746   4.007
  339    H    HIS  45           HN       HIS  45  -1.329  -2.751   1.227
  340    HA   HIS  45           HA       HIS  45  -1.783  -3.639   4.032
  341   1HB   HIS  45           HBS      HIS  45  -3.850  -3.684   2.641
  342   2HB   HIS  45           HBR      HIS  45  -3.028  -4.781   1.492
  343    HD1  HIS  45           HD1      HIS  45  -4.622  -4.752   4.931
  344    HD2  HIS  45           HD2      HIS  45  -2.931  -7.392   2.191
  345    HE1  HIS  45           HE1      HIS  45  -5.201  -7.059   5.724
  346    HE2  HIS  45           HE2      HIS  45  -4.156  -8.662   4.085
  347    H    GLU  46           HN       GLU  46  -0.079  -4.693   4.714
  348    HA   GLU  46           HA       GLU  46   1.779  -6.039   4.809
  349   1HB   GLU  46           HBS      GLU  46   0.273  -7.528   2.704
  350   2HB   GLU  46           HBR      GLU  46   1.465  -8.198   3.678
  351   1HG   GLU  46           HGS      GLU  46  -1.345  -7.316   4.324
  352   2HG   GLU  46           HGR      GLU  46  -0.657  -8.922   4.685
  353    H    GLY  47           HN       GLY  47   2.109  -3.836   3.157
  354   1HA   GLY  47           HAR      GLY  47   4.179  -3.268   2.205
  355   2HA   GLY  47           HAS      GLY  47   4.338  -4.926   1.569
  356    H    LYS  48           HN       LYS  48   1.372  -4.573   0.697
  357    HA   LYS  48           HA       LYS  48   2.188  -3.685  -2.011
  358   1HB   LYS  48           HBS      LYS  48   1.058  -6.027  -1.217
  359   2HB   LYS  48           HBR      LYS  48  -0.400  -5.071  -1.600
  360   1HG   LYS  48           HGS      LYS  48  -0.033  -5.974  -3.662
  361   2HG   LYS  48           HGR      LYS  48   1.021  -4.538  -3.814
  362   1HD   LYS  48           HDS      LYS  48   2.943  -5.933  -3.142
  363   2HD   LYS  48           HDR      LYS  48   1.884  -7.304  -2.959
  364   1HE   LYS  48           HES      LYS  48   2.245  -7.849  -5.062
  365   2HE   LYS  48           HER      LYS  48   1.391  -6.355  -5.538
  366   1HZ   LYS  48           HZC      LYS  48   4.110  -5.975  -4.746
  367   2HZ   LYS  48           HZA      LYS  48   3.937  -6.883  -6.092
  368   3HZ   LYS  48           HZB      LYS  48   3.303  -5.380  -6.035
  369    HA   PRO  49           HA       PRO  49  -0.315  -0.177  -0.960
  370   1HB   PRO  49           HBR      PRO  49   0.624   1.350  -2.960
  371   2HB   PRO  49           HBS      PRO  49   1.225   1.324  -1.431
  372   1HG   PRO  49           HGS      PRO  49   2.318   0.205  -3.744
  373   2HG   PRO  49           HGR      PRO  49   3.088   0.608  -2.319
  374   1HD   PRO  49           HDS      PRO  49   2.475  -1.888  -3.079
  375   2HD   PRO  49           HDR      PRO  49   2.879  -1.436  -1.540
  376    H    TYR  50           HN       TYR  50  -2.090   0.976  -1.665
  377    HA   TYR  50           HA       TYR  50  -2.869   0.661  -4.432
  378   1HB   TYR  50           HBR      TYR  50  -4.823  -0.301  -2.310
  379   2HB   TYR  50           HBS      TYR  50  -5.087  -0.225  -4.076
  380    HD1  TYR  50           HD2      TYR  50  -2.989  -1.878  -1.473
  381    HD2  TYR  50           HD1      TYR  50  -4.706  -2.160  -5.353
  382    HE1  TYR  50           HE2      TYR  50  -2.358  -4.246  -1.570
  383    HE2  TYR  50           HE1      TYR  50  -4.137  -4.550  -5.436
  384    HH   TYR  50           HH       TYR  50  -2.680  -6.055  -4.622
  385    H    CYS  51           HN       CYS  51  -5.219   1.778  -4.570
  386    HA   CYS  51           HA       CYS  51  -5.346   4.339  -3.556
  387   1HB   CYS  51           HBS      CYS  51  -7.640   2.435  -4.082
  388   2HB   CYS  51           HBR      CYS  51  -7.824   4.177  -3.740
  389    H    ASN  52           HN       ASN  52  -5.577   5.273  -1.691
  390    HA   ASN  52           HA       ASN  52  -6.321   3.990   0.752
  391   1HB   ASN  52           HBR      ASN  52  -5.145   6.297   0.267
  392   2HB   ASN  52           HBS      ASN  52  -6.825   6.898   0.366
  393   1HD2  ASN  52           HD2      ASN  52  -4.848   6.626   3.710
  394   2HD2  ASN  52           HD2      ASN  52  -4.332   7.134   2.137
  395    H    HIS  53           HN       HIS  53  -8.117   5.630  -1.809
  396    HA   HIS  53           HA       HIS  53 -10.254   3.745  -1.302
  397   1HB   HIS  53           HBS      HIS  53 -10.821   6.729  -1.090
  398   2HB   HIS  53           HBR      HIS  53 -12.056   5.552  -1.621
  399    HD1  HIS  53           HD1      HIS  53 -13.427   4.550   0.260
  400    HD2  HIS  53           HD2      HIS  53  -9.821   6.165   1.577
  401    HE1  HIS  53           HE1      HIS  53 -13.503   4.497   2.763
  402    HE2  HIS  53           HE2      HIS  53 -11.312   5.449   3.567
  403    HA   PRO  54           HA       PRO  54 -12.333   3.764  -2.009
  404   1HB   PRO  54           HBS      PRO  54 -13.611   2.226  -3.736
  405   2HB   PRO  54           HBR      PRO  54 -14.082   3.763  -3.392
  406   1HG   PRO  54           HGR      PRO  54 -13.053   2.800  -5.761
  407   2HG   PRO  54           HGS      PRO  54 -13.615   4.337  -5.437
  408   1HD   PRO  54           HDR      PRO  54 -10.964   3.421  -5.498
  409   2HD   PRO  54           HDS      PRO  54 -11.509   4.983  -5.571
  410    H    CYS  55           HN       CYS  55 -10.146   2.347  -4.118
  411    HA   CYS  55           HA       CYS  55 -10.933  -0.219  -4.090
  412   1HB   CYS  55           HBS      CYS  55  -8.048   0.691  -4.243
  413   2HB   CYS  55           HBR      CYS  55  -8.701  -0.869  -4.815
  414    H    TYR  56           HN       TYR  56  -8.767   1.234  -1.685
  415    HA   TYR  56           HA       TYR  56  -8.181  -1.188  -0.239
  416   1HB   TYR  56           HBR      TYR  56  -6.828   0.839   0.024
  417   2HB   TYR  56           HBS      TYR  56  -8.238   1.708   0.691
  418    HD1  TYR  56           HD1      TYR  56  -6.267  -1.438   1.357
  419    HD2  TYR  56           HD2      TYR  56  -8.369   1.882   2.985
  420    HE1  TYR  56           HE1      TYR  56  -5.546  -2.096   3.613
  421    HE2  TYR  56           HE2      TYR  56  -7.644   1.247   5.240
  422    HH   TYR  56           HH       TYR  56  -5.058  -0.915   5.730
  423    H    SER  57           HN       SER  57 -10.459   1.511   0.401
  424    HA   SER  57           HA       SER  57 -11.624  -0.085   2.567
  425   1HB   SER  57           HBS      SER  57 -11.103   2.662   2.145
  426   2HB   SER  57           HBR      SER  57 -12.876   2.477   2.276
  427    HG   SER  57           HG       SER  57 -10.800   1.424   4.028
  428    H    ALA  58           HN       ALA  58 -12.115  -0.439  -0.461
  429    HA   ALA  58           HA       ALA  58 -15.065  -0.729  -0.124
  430   1HB   ALA  58           HMB      ALA  58 -14.194   0.739  -1.984
  431   2HB   ALA  58           HMB      ALA  58 -13.517  -0.735  -2.720
  432   3HB   ALA  58           HMB      ALA  58 -15.276  -0.591  -2.472
  433    H    MET  59           HN       MET  59 -12.101  -2.273  -1.383
  434    HA   MET  59           HA       MET  59 -13.586  -4.814  -1.629
  435   1HB   MET  59           HBR      MET  59 -11.017  -3.782  -2.860
  436   2HB   MET  59           HBS      MET  59 -11.585  -5.462  -3.036
  437   1HG   MET  59           HGR      MET  59 -13.373  -3.097  -3.700
  438   2HG   MET  59           HGS      MET  59 -12.216  -3.723  -4.898
  439   1HE   MET  59           HME      MET  59 -15.347  -3.864  -3.185
  440   2HE   MET  59           HME      MET  59 -16.242  -5.282  -3.786
  441   3HE   MET  59           HME      MET  59 -15.165  -5.440  -2.375
  442    H    PHE  60           HN       PHE  60 -10.907  -3.302   0.042
  443    HA   PHE  60           HA       PHE  60  -9.670  -5.827   0.741
  444   1HB   PHE  60           HBR      PHE  60  -8.798  -3.115   0.641
  445   2HB   PHE  60           HBS      PHE  60  -8.631  -3.656   2.337
  446    HD1  PHE  60           HD2      PHE  60  -7.430  -6.058   2.609
  447    HD2  PHE  60           HD1      PHE  60  -7.213  -3.566  -0.840
  448    HE1  PHE  60           HE2      PHE  60  -5.435  -7.303   1.843
  449    HE2  PHE  60           HE1      PHE  60  -5.221  -4.773  -1.612
  450    HZ   PHE  60           HZ       PHE  60  -4.363  -6.678  -0.302
  451    H    GLY  61           HN       GLY  61 -11.089  -6.970   1.979
  452   1HA   GLY  61           HAR      GLY  61 -10.946  -6.271   4.824
  453   2HA   GLY  61           HAS      GLY  61 -12.596  -6.515   4.182
  454    HA   PRO  62           HA       PRO  62 -12.017 -10.936   4.008
  455   1HB   PRO  62           HBR      PRO  62 -12.582 -11.355   1.359
  456   2HB   PRO  62           HBS      PRO  62 -13.593 -11.593   2.631
  457   1HG   PRO  62           HGS      PRO  62 -13.831  -9.690   0.748
  458   2HG   PRO  62           HGR      PRO  62 -14.744  -9.818   2.138
  459   1HD   PRO  62           HDS      PRO  62 -12.640  -8.044   1.591
  460   2HD   PRO  62           HDR      PRO  62 -13.790  -7.941   2.775
  461    H    LYS  63           HN       LYS  63 -11.215 -12.522   1.820
  462    HA   LYS  63           HA       LYS  63  -8.989 -11.545   0.475
  463   1HB   LYS  63           HBS      LYS  63  -8.130 -11.677   2.984
  464   2HB   LYS  63           HBR      LYS  63  -7.916 -13.401   2.564
  465   1HG   LYS  63           HGR      LYS  63  -6.444 -12.813   0.719
  466   2HG   LYS  63           HGS      LYS  63  -6.736 -11.074   0.999
  467   1HD   LYS  63           HDS      LYS  63  -4.821 -11.177   2.124
  468   2HD   LYS  63           HDR      LYS  63  -5.882 -11.682   3.411
  469   1HE   LYS  63           HES      LYS  63  -5.438 -14.066   2.780
  470   2HE   LYS  63           HER      LYS  63  -4.193 -13.441   1.660
  471   1HZ   LYS  63           HZC      LYS  63  -3.900 -12.321   4.217
  472   2HZ   LYS  63           HZA      LYS  63  -3.899 -13.952   4.326
  473   3HZ   LYS  63           HZB      LYS  63  -2.832 -13.198   3.347
  474    H    GLY  64           HN       GLY  64  -8.659 -12.854  -1.175
  475   1HA   GLY  64           HAR      GLY  64  -7.833 -15.188  -1.634
  476   2HA   GLY  64           HAS      GLY  64  -9.364 -15.748  -0.911
  477    H    PHE  65           HN       PHE  65  -7.877 -15.391  -3.752
  478    HA   PHE  65           HA       PHE  65 -10.401 -15.695  -5.128
  479   1HB   PHE  65           HBS      PHE  65  -9.212 -13.111  -5.330
  480   2HB   PHE  65           HBR      PHE  65  -8.887 -13.960  -6.870
  481    HD1  PHE  65           HD2      PHE  65 -11.445 -15.664  -6.969
  482    HD2  PHE  65           HD1      PHE  65 -10.766 -11.587  -5.934
  483    HE1  PHE  65           HE2      PHE  65 -13.734 -15.099  -7.717
  484    HE2  PHE  65           HE1      PHE  65 -13.030 -11.000  -6.674
  485    HZ   PHE  65           HZ       PHE  65 -14.496 -12.743  -7.622
  486    H    GLY  66           HN       GLY  66  -9.543 -17.788  -5.253
  487   1HA   GLY  66           HAR      GLY  66  -7.895 -18.452  -7.516
  488   2HA   GLY  66           HAS      GLY  66  -6.946 -18.472  -6.007
  489    H    ARG  67           HN       ARG  67  -7.111 -20.163  -4.661
  490    HA   ARG  67           HA       ARG  67  -9.253 -22.156  -4.883
  491   1HB   ARG  67           HBR      ARG  67  -7.840 -23.944  -5.628
  492   2HB   ARG  67           HBS      ARG  67  -7.811 -22.625  -6.835
  493   1HG   ARG  67           HGS      ARG  67  -5.648 -22.899  -4.745
  494   2HG   ARG  67           HGR      ARG  67  -5.599 -23.830  -6.270
  495   1HD   ARG  67           HDS      ARG  67  -6.094 -20.892  -6.373
  496   2HD   ARG  67           HDR      ARG  67  -4.442 -21.485  -6.045
  497    HE   ARG  67           HE       ARG  67  -5.797 -21.498  -8.568
  498   1HH1  ARG  67           HH1      ARG  67  -3.343 -23.130  -6.634
  499   2HH1  ARG  67           HH1      ARG  67  -2.669 -23.962  -7.993
  500   1HH2  ARG  67           HH2      ARG  67  -4.970 -22.701 -10.300
  501   2HH2  ARG  67           HH2      ARG  67  -3.588 -23.719 -10.071
  502    H    GLY  68           HN       GLY  68  -9.014 -23.872  -3.363
  503   1HA   GLY  68           HAS      GLY  68  -8.002 -25.058  -1.623
  504   2HA   GLY  68           HAR      GLY  68  -6.754 -23.790  -1.497
  505    H    GLY  69           HN       GLY  69  -8.911 -25.212   0.309
  506   1HA   GLY  69           HAS      GLY  69 -10.161 -24.686   2.182
  507   2HA   GLY  69           HAR      GLY  69  -9.501 -23.030   2.114
  508    H    ALA  70           HN       ALA  70 -12.143 -25.105   1.365
  509    HA   ALA  70           HA       ALA  70 -13.399 -23.120  -0.431
  510   1HB   ALA  70           HMB      ALA  70 -13.460 -26.052  -0.094
  511   2HB   ALA  70           HMB      ALA  70 -15.027 -25.291  -0.466
  512   3HB   ALA  70           HMB      ALA  70 -13.637 -25.046  -1.554
  513    H    GLU  71           HN       GLU  71 -13.247 -22.640   2.419
  514    HA   GLU  71           HA       GLU  71 -16.135 -22.708   3.166
  515   1HB   GLU  71           HBS      GLU  71 -15.429 -22.025   5.265
  516   2HB   GLU  71           HBR      GLU  71 -14.580 -23.418   4.870
  517   1HG   GLU  71           HGS      GLU  71 -12.528 -22.277   4.726
  518   2HG   GLU  71           HGR      GLU  71 -13.274 -20.713   4.301
  519    H    SER  72           HN       SER  72 -16.904 -20.602   4.092
  520    HA   SER  72           HA       SER  72 -16.999 -18.828   1.921
  521   1HB   SER  72           HBR      SER  72 -18.295 -19.110   4.478
  522   2HB   SER  72           HBS      SER  72 -17.885 -17.398   4.174
  523    HG   SER  72           HG       SER  72 -19.419 -17.213   2.874
  524    H    HIS  73           HN       HIS  73 -16.182 -17.624   5.159
  525    HA   HIS  73           HA       HIS  73 -14.435 -15.649   3.843
  526   1HB   HIS  73           HBR      HIS  73 -16.191 -15.617   6.217
  527   2HB   HIS  73           HBS      HIS  73 -14.586 -14.884   6.498
  528    HD1  HIS  73           HD1      HIS  73 -13.992 -13.277   4.056
  529    HD2  HIS  73           HD2      HIS  73 -17.866 -13.645   5.540
  530    HE1  HIS  73           HE1      HIS  73 -15.242 -11.249   3.278
  531    HE2  HIS  73           HE2      HIS  73 -17.582 -11.456   4.191
  532    H    THR  74           HN       THR  74 -12.359 -15.274   4.366
  533    HA   THR  74           HA       THR  74 -10.208 -15.845   4.899
  534    HB   THR  74           HB       THR  74  -9.784 -16.098   7.268
  535    HG1  THR  74           HG1      THR  74 -11.181 -16.650   8.573
  536   1HG2  THR  74           HMG      THR  74 -11.771 -14.189   6.382
  537   2HG2  THR  74           HMG      THR  74 -12.009 -14.618   8.094
  538   3HG2  THR  74           HMG      THR  74 -10.435 -13.993   7.544
  539    H    PHE  75           HN       PHE  75  -8.961 -17.683   6.359
  540    HA   PHE  75           HA       PHE  75  -9.764 -20.267   5.118
  541   1HB   PHE  75           HBS      PHE  75  -7.011 -18.959   5.062
  542   2HB   PHE  75           HBR      PHE  75  -7.340 -20.660   4.620
  543    HD1  PHE  75           HD2      PHE  75  -8.983 -21.056   2.615
  544    HD2  PHE  75           HD1      PHE  75  -7.234 -17.293   3.581
  545    HE1  PHE  75           HE2      PHE  75  -9.547 -20.221   0.356
  546    HE2  PHE  75           HE1      PHE  75  -7.786 -16.439   1.348
  547    HZ   PHE  75           HZ       PHE  75  -8.997 -17.880  -0.245
  548    H    LYS  76           HN       LYS  76  -6.884 -19.269   6.953
  549    HA   LYS  76           HA       LYS  76  -7.483 -20.577   9.422
  550   1HB   LYS  76           HBR      LYS  76  -7.507 -22.511   7.718
  551   2HB   LYS  76           HBS      LYS  76  -5.743 -22.250   7.609
  552   1HG   LYS  76           HGR      LYS  76  -5.533 -23.636   9.355
  553   2HG   LYS  76           HGS      LYS  76  -6.265 -22.351  10.359
  554   1HD   LYS  76           HDS      LYS  76  -8.515 -23.294   9.732
  555   2HD   LYS  76           HDR      LYS  76  -7.674 -24.633   9.002
  556   1HE   LYS  76           HES      LYS  76  -7.196 -23.889  11.871
  557   2HE   LYS  76           HER      LYS  76  -8.540 -24.946  11.358
  558   1HZ   LYS  76           HZC      LYS  76  -6.122 -25.747  10.181
  559   2HZ   LYS  76           HZA      LYS  76  -5.949 -25.680  11.804
  560   3HZ   LYS  76           HZB      LYS  76  -7.129 -26.598  11.145
   
  No H/Q in entry =         560
  Start of MODEL    6
    1    H    PRO   1           HN       PRO   1  14.393   3.425   5.418
    2    HA   PRO   1           HA       PRO   1  13.505   4.139   3.349
    3   1HB   PRO   1           HBS      PRO   1  15.785   4.649   1.925
    4   2HB   PRO   1           HBR      PRO   1  14.607   5.728   2.303
    5   1HG   PRO   1           HGR      PRO   1  17.135   5.443   3.443
    6   2HG   PRO   1           HGS      PRO   1  16.068   6.718   3.575
    7   1HD   PRO   1           HDR      PRO   1  16.600   4.979   5.527
    8   2HD   PRO   1           HDS      PRO   1  15.267   5.957   5.479
    9    H    LYS   2           HN       LYS   2  13.085   1.902   3.797
   10    HA   LYS   2           HA       LYS   2  14.396   0.346   1.650
   11   1HB   LYS   2           HBS      LYS   2  13.546  -1.123   4.117
   12   2HB   LYS   2           HBR      LYS   2  14.746  -1.557   2.867
   13   1HG   LYS   2           HGR      LYS   2  15.104   0.548   5.037
   14   2HG   LYS   2           HGS      LYS   2  15.822  -1.089   5.030
   15   1HD   LYS   2           HDR      LYS   2  17.459  -0.527   3.695
   16   2HD   LYS   2           HDS      LYS   2  16.423   0.320   2.579
   17   1HE   LYS   2           HES      LYS   2  16.424   2.161   4.477
   18   2HE   LYS   2           HER      LYS   2  17.920   1.310   4.960
   19   1HZ   LYS   2           HZB      LYS   2  17.757   1.850   2.171
   20   2HZ   LYS   2           HZC      LYS   2  17.752   3.209   3.077
   21   3HZ   LYS   2           HZA      LYS   2  18.975   2.136   3.219
   22    H    CYS   3           HN       CYS   3  12.995  -0.707   0.405
   23    HA   CYS   3           HA       CYS   3  10.362   0.222   0.570
   24   1HB   CYS   3           HBS      CYS   3  11.781  -0.105  -1.460
   25   2HB   CYS   3           HBR      CYS   3  11.475  -1.860  -1.318
   26    HA   PRO   4           HA       PRO   4   8.323  -3.226   2.543
   27   1HB   PRO   4           HBR      PRO   4   5.910  -1.991   2.177
   28   2HB   PRO   4           HBS      PRO   4   6.746  -2.106   3.586
   29   1HG   PRO   4           HGS      PRO   4   6.300   0.150   2.232
   30   2HG   PRO   4           HGR      PRO   4   7.399  -0.026   3.476
   31   1HD   PRO   4           HDS      PRO   4   7.879   0.020   0.684
   32   2HD   PRO   4           HDR      PRO   4   8.898   0.461   1.911
   33    H    LYS   5           HN       LYS   5   7.894  -1.934  -0.531
   34    HA   LYS   5           HA       LYS   5   5.829  -3.811  -1.415
   35   1HB   LYS   5           HBR      LYS   5   6.627  -1.386  -2.341
   36   2HB   LYS   5           HBS      LYS   5   7.560  -2.471  -3.410
   37   1HG   LYS   5           HGS      LYS   5   4.542  -2.429  -3.026
   38   2HG   LYS   5           HGR      LYS   5   5.451  -1.906  -4.472
   39   1HD   LYS   5           HDR      LYS   5   5.421  -4.701  -3.331
   40   2HD   LYS   5           HDS      LYS   5   4.319  -4.164  -4.571
   41   1HE   LYS   5           HES      LYS   5   7.300  -3.919  -4.919
   42   2HE   LYS   5           HER      LYS   5   6.439  -5.453  -5.231
   43   1HZ   LYS   5           HZC      LYS   5   5.056  -4.251  -6.790
   44   2HZ   LYS   5           HZA      LYS   5   5.890  -2.872  -6.528
   45   3HZ   LYS   5           HZB      LYS   5   6.630  -4.155  -7.215
   46    H    CYS   6           HN       CYS   6   9.171  -3.186  -2.557
   47    HA   CYS   6           HA       CYS   6   9.090  -5.902  -3.687
   48   1HB   CYS   6           HBS      CYS   6  10.866  -5.174  -5.163
   49   2HB   CYS   6           HBR      CYS   6   9.440  -4.104  -5.232
   50    H    ASP   7           HN       ASP   7  10.616  -4.159  -1.158
   51    HA   ASP   7           HA       ASP   7  12.250  -4.660   0.331
   52   1HB   ASP   7           HBR      ASP   7  12.289  -7.390  -0.959
   53   2HB   ASP   7           HBS      ASP   7  13.210  -6.904   0.496
   54    H    LYS   8           HN       LYS   8  13.027  -2.943  -1.200
   55    HA   LYS   8           HA       LYS   8  15.837  -3.769  -1.664
   56   1HB   LYS   8           HBS      LYS   8  14.093  -2.384  -3.566
   57   2HB   LYS   8           HBR      LYS   8  15.567  -1.458  -3.164
   58   1HG   LYS   8           HGR      LYS   8  15.514  -4.336  -4.153
   59   2HG   LYS   8           HGS      LYS   8  15.853  -2.901  -5.162
   60   1HD   LYS   8           HDR      LYS   8  17.932  -2.761  -4.515
   61   2HD   LYS   8           HDS      LYS   8  17.539  -2.915  -2.825
   62   1HE   LYS   8           HES      LYS   8  17.169  -5.481  -3.909
   63   2HE   LYS   8           HER      LYS   8  18.647  -4.828  -4.671
   64   1HZ   LYS   8           HZA      LYS   8  18.571  -4.297  -1.904
   65   2HZ   LYS   8           HZB      LYS   8  18.448  -5.901  -2.185
   66   3HZ   LYS   8           HZC      LYS   8  19.717  -5.062  -2.780
   67    H    GLU   9           HN       GLU   9  16.967  -1.331  -1.931
   68    HA   GLU   9           HA       GLU   9  15.995   0.283   0.393
   69   1HB   GLU   9           HBS      GLU   9  18.328   1.361  -0.203
   70   2HB   GLU   9           HBR      GLU   9  18.092   0.274   1.045
   71   1HG   GLU   9           HGS      GLU   9  19.051  -1.538  -0.236
   72   2HG   GLU   9           HGR      GLU   9  18.899  -0.663  -1.785
   73    H    VAL  10           HN       VAL  10  15.841   2.510   0.119
   74    HA   VAL  10           HA       VAL  10  15.098   3.111  -2.688
   75    HB   VAL  10           HB       VAL  10  13.761   3.726  -0.050
   76   1HG1  VAL  10           HMG      VAL  10  13.630   5.485  -2.083
   77   2HG1  VAL  10           HMG      VAL  10  12.320   4.378  -2.557
   78   3HG1  VAL  10           HMG      VAL  10  12.285   5.167  -0.963
   79   1HG2  VAL  10           HMG      VAL  10  13.653   1.471  -1.613
   80   2HG2  VAL  10           HMG      VAL  10  12.445   1.977  -0.409
   81   3HG2  VAL  10           HMG      VAL  10  12.207   2.386  -2.123
   82    H    TYR  11           HN       TYR  11  16.099   4.684  -3.650
   83    HA   TYR  11           HA       TYR  11  17.957   6.409  -2.179
   84   1HB   TYR  11           HBR      TYR  11  17.841   5.379  -4.787
   85   2HB   TYR  11           HBS      TYR  11  17.502   7.125  -4.966
   86    HD1  TYR  11           HD1      TYR  11  19.921   4.887  -3.125
   87    HD2  TYR  11           HD2      TYR  11  19.320   8.506  -5.276
   88    HE1  TYR  11           HE1      TYR  11  22.310   5.415  -2.892
   89    HE2  TYR  11           HE2      TYR  11  21.696   9.060  -5.025
   90    HH   TYR  11           HH       TYR  11  23.971   6.711  -3.612
   91    H    PHE  12           HN       PHE  12  17.905   8.753  -2.555
   92    HA   PHE  12           HA       PHE  12  15.755   9.581  -1.125
   93   1HB   PHE  12           HBR      PHE  12  18.111  10.784  -1.756
   94   2HB   PHE  12           HBS      PHE  12  16.980  11.796  -2.698
   95    HD1  PHE  12           HD1      PHE  12  14.877  12.540  -1.489
   96    HD2  PHE  12           HD2      PHE  12  18.435  11.381   0.550
   97    HE1  PHE  12           HE1      PHE  12  14.129  13.791   0.484
   98    HE2  PHE  12           HE2      PHE  12  17.708  12.643   2.549
   99    HZ   PHE  12           HZ       PHE  12  15.510  13.791   2.526
  100    H    ALA  13           HN       ALA  13  16.315  11.044  -4.346
  101    HA   ALA  13           HA       ALA  13  13.725  11.784  -4.648
  102   1HB   ALA  13           HMB      ALA  13  16.148  11.960  -6.074
  103   2HB   ALA  13           HMB      ALA  13  14.953  11.352  -7.246
  104   3HB   ALA  13           HMB      ALA  13  14.654  12.881  -6.381
  105    H    GLU  14           HN       GLU  14  14.773   8.642  -4.903
  106    HA   GLU  14           HA       GLU  14  12.251   7.900  -6.325
  107   1HB   GLU  14           HBR      GLU  14  13.290   5.747  -6.775
  108   2HB   GLU  14           HBS      GLU  14  14.004   7.056  -7.546
  109   1HG   GLU  14           HGR      GLU  14  15.542   6.850  -5.166
  110   2HG   GLU  14           HGS      GLU  14  15.253   5.190  -5.755
  111    H    ARG  15           HN       ARG  15  12.560   8.857  -3.637
  112    HA   ARG  15           HA       ARG  15  11.358   6.428  -2.410
  113   1HB   ARG  15           HBR      ARG  15  11.944   6.981  -0.232
  114   2HB   ARG  15           HBS      ARG  15  13.444   7.166  -1.179
  115   1HG   ARG  15           HGS      ARG  15  13.708   9.127  -0.177
  116   2HG   ARG  15           HGR      ARG  15  12.335   9.733  -1.147
  117   1HD   ARG  15           HDR      ARG  15  11.373  10.162   0.801
  118   2HD   ARG  15           HDS      ARG  15  11.086   8.401   0.892
  119    HE   ARG  15           HE       ARG  15  13.354   8.370   2.101
  120   1HH1  ARG  15           HH1      ARG  15  10.912  10.897   2.386
  121   2HH1  ARG  15           HH1      ARG  15  11.547  11.493   3.882
  122   1HH2  ARG  15           HH2      ARG  15  14.233   9.260   3.991
  123   2HH2  ARG  15           HH2      ARG  15  13.427  10.567   4.792
  124    H    VAL  16           HN       VAL  16   9.315   6.585  -1.918
  125    HA   VAL  16           HA       VAL  16   8.228   9.262  -1.255
  126    HB   VAL  16           HB       VAL  16   6.010   8.556  -1.846
  127   1HG1  VAL  16           HMG      VAL  16   8.116   8.411  -3.967
  128   2HG1  VAL  16           HMG      VAL  16   6.423   8.065  -4.394
  129   3HG1  VAL  16           HMG      VAL  16   6.857   9.636  -3.679
  130   1HG2  VAL  16           HMG      VAL  16   7.285   5.911  -2.518
  131   2HG2  VAL  16           HMG      VAL  16   5.919   6.258  -1.431
  132   3HG2  VAL  16           HMG      VAL  16   5.715   6.411  -3.194
  133    H    THR  17           HN       THR  17   6.447   9.029   0.408
  134    HA   THR  17           HA       THR  17   7.455   7.149   2.487
  135    HB   THR  17           HB       THR  17   6.524   9.979   3.127
  136    HG1  THR  17           HG1      THR  17   7.753  10.356   1.785
  137   1HG2  THR  17           HMG      THR  17   7.383   7.897   4.723
  138   2HG2  THR  17           HMG      THR  17   8.843   8.903   4.544
  139   3HG2  THR  17           HMG      THR  17   7.339   9.621   5.175
  140    H    SER  18           HN       SER  18   6.042   6.317   3.934
  141    HA   SER  18           HA       SER  18   3.381   7.033   4.325
  142   1HB   SER  18           HBR      SER  18   3.026   6.532   1.954
  143   2HB   SER  18           HBS      SER  18   3.621   4.868   2.221
  144    HG   SER  18           HG       SER  18   1.523   6.061   3.807
  145    H    LEU  19           HN       LEU  19   2.419   5.795   5.857
  146    HA   LEU  19           HA       LEU  19   2.469   4.553   7.781
  147   1HB   LEU  19           HBR      LEU  19   3.481   2.697   5.625
  148   2HB   LEU  19           HBS      LEU  19   3.203   2.143   7.301
  149    HG   LEU  19           HG       LEU  19   1.307   1.515   6.041
  150   1HD1  LEU  19           HMD      LEU  19   1.108   3.096   8.249
  151   2HD1  LEU  19           HMD      LEU  19   0.115   4.011   7.087
  152   3HD1  LEU  19           HMD      LEU  19  -0.272   2.309   7.444
  153   1HD2  LEU  19           HMD      LEU  19   1.908   3.219   4.218
  154   2HD2  LEU  19           HMD      LEU  19   0.179   2.899   4.510
  155   3HD2  LEU  19           HMD      LEU  19   0.934   4.380   5.156
  156    H    GLY  20           HN       GLY  20   4.962   6.118   6.901
  157   1HA   GLY  20           HAR      GLY  20   6.473   6.854   8.537
  158   2HA   GLY  20           HAS      GLY  20   6.434   5.241   9.295
  159    H    LYS  21           HN       LYS  21   6.742   4.200   6.366
  160    HA   LYS  21           HA       LYS  21   9.701   4.493   6.282
  161   1HB   LYS  21           HBS      LYS  21   8.113   2.007   6.475
  162   2HB   LYS  21           HBR      LYS  21   9.304   2.043   5.143
  163   1HG   LYS  21           HGR      LYS  21   9.833   2.394   8.117
  164   2HG   LYS  21           HGS      LYS  21  10.355   1.047   7.065
  165   1HD   LYS  21           HDR      LYS  21  12.265   2.111   6.952
  166   2HD   LYS  21           HDS      LYS  21  11.475   3.081   5.737
  167   1HE   LYS  21           HER      LYS  21  10.752   4.477   7.894
  168   2HE   LYS  21           HES      LYS  21  12.249   3.740   8.532
  169   1HZ   LYS  21           HZB      LYS  21  12.078   5.245   6.013
  170   2HZ   LYS  21           HZC      LYS  21  12.598   5.871   7.429
  171   3HZ   LYS  21           HZA      LYS  21  13.436   4.668   6.713
  172    H    ASP  22           HN       ASP  22  10.570   4.075   4.139
  173    HA   ASP  22           HA       ASP  22   8.924   5.613   2.337
  174   1HB   ASP  22           HBS      ASP  22  11.752   4.751   1.803
  175   2HB   ASP  22           HBR      ASP  22  10.873   6.191   1.214
  176    H    TRP  23           HN       TRP  23   9.053   5.215  -0.043
  177    HA   TRP  23           HA       TRP  23   9.187   2.342  -0.787
  178   1HB   TRP  23           HBR      TRP  23   6.977   4.277  -1.495
  179   2HB   TRP  23           HBS      TRP  23   7.048   2.519  -1.842
  180    HD1  TRP  23           HD1      TRP  23   6.609   4.999   1.089
  181    HE1  TRP  23           HE1      TRP  23   5.034   3.926   2.816
  182    HE3  TRP  23           HE3      TRP  23   6.127   0.428  -1.084
  183    HZ2  TRP  23           HZ2      TRP  23   3.657   1.499   3.103
  184    HZ3  TRP  23           HZ3      TRP  23   4.711  -1.249   0.010
  185    HH2  TRP  23           HH2      TRP  23   3.403  -0.693   1.992
  186    H    HIS  24           HN       ZHI  24   9.370   1.957  -3.056
  187    HA   HIS  24           HA       ZHI  24  10.751   4.002  -4.566
  188   1HB   HIS  24           HBS      ZHI  24   9.700   1.300  -5.516
  189   2HB   HIS  24           HBR      ZHI  24  10.781   2.394  -6.428
  190    HD2  HIS  24           HD2      ZHI  24  13.064   3.056  -4.389
  191    HE1  HIS  24           HE1      ZHI  24  13.011  -0.850  -2.896
  192    HE2  HIS  24           HE2      ZHI  24  14.459   1.174  -3.287
  193    H    ARG  25           HN       ARG  25  10.078   5.170  -6.279
  194    HA   ARG  25           HA       ARG  25   7.457   6.195  -6.004
  195   1HB   ARG  25           HBR      ARG  25   9.758   7.094  -7.177
  196   2HB   ARG  25           HBS      ARG  25   8.775   6.672  -8.608
  197   1HG   ARG  25           HGS      ARG  25   7.088   8.110  -6.837
  198   2HG   ARG  25           HGR      ARG  25   8.638   8.994  -6.920
  199   1HD   ARG  25           HDR      ARG  25   8.514   8.886  -9.382
  200   2HD   ARG  25           HDS      ARG  25   6.906   8.123  -9.234
  201    HE   ARG  25           HE       ARG  25   7.468  10.904  -9.083
  202   1HH1  ARG  25           HH1      ARG  25   5.355   8.397  -7.787
  203   2HH1  ARG  25           HH1      ARG  25   4.187   9.534  -7.200
  204   1HH2  ARG  25           HH2      ARG  25   5.983  12.364  -8.189
  205   2HH2  ARG  25           HH2      ARG  25   4.541  11.778  -7.428
  206    HA   PRO  26           HA       PRO  26   6.620   3.558 -10.037
  207   1HB   PRO  26           HBR      PRO  26   8.462   1.463  -9.825
  208   2HB   PRO  26           HBS      PRO  26   8.114   2.379 -11.143
  209   1HG   PRO  26           HGR      PRO  26  10.376   2.533  -9.763
  210   2HG   PRO  26           HGS      PRO  26   9.810   3.695 -10.820
  211   1HD   PRO  26           HDS      PRO  26   9.854   3.757  -8.012
  212   2HD   PRO  26           HDR      PRO  26   9.699   5.022  -9.065
  213    H    CYS  27           HN       CYS  27   7.815   2.033  -7.176
  214    HA   CYS  27           HA       CYS  27   6.227  -0.264  -7.353
  215   1HB   CYS  27           HBS      CYS  27   7.768   1.095  -5.199
  216   2HB   CYS  27           HBR      CYS  27   6.570  -0.137  -4.712
  217    H    LEU  28           HN       LEU  28   5.629   2.780  -5.590
  218    HA   LEU  28           HA       LEU  28   3.346   1.789  -4.208
  219   1HB   LEU  28           HBS      LEU  28   5.012   3.708  -3.716
  220   2HB   LEU  28           HBR      LEU  28   3.930   4.698  -4.738
  221    HG   LEU  28           HG       LEU  28   2.150   3.610  -2.995
  222   1HD1  LEU  28           HMD      LEU  28   4.328   2.730  -1.803
  223   2HD1  LEU  28           HMD      LEU  28   4.427   4.408  -1.212
  224   3HD1  LEU  28           HMD      LEU  28   2.987   3.421  -0.854
  225   1HD2  LEU  28           HMD      LEU  28   3.234   6.083  -3.700
  226   2HD2  LEU  28           HMD      LEU  28   1.798   5.795  -2.687
  227   3HD2  LEU  28           HMD      LEU  28   3.394   6.018  -1.927
  228    H    LYS  29           HN       LYS  29   1.956   0.867  -5.686
  229    HA   LYS  29           HA       LYS  29   0.367   2.736  -7.353
  230   1HB   LYS  29           HBR      LYS  29   0.538   1.228  -9.275
  231   2HB   LYS  29           HBS      LYS  29   2.116   1.943  -8.836
  232   1HG   LYS  29           HGR      LYS  29   3.046  -0.074  -8.539
  233   2HG   LYS  29           HGS      LYS  29   1.689  -0.626  -7.514
  234   1HD   LYS  29           HDS      LYS  29   1.984  -2.038  -9.475
  235   2HD   LYS  29           HDR      LYS  29   0.414  -1.292  -9.368
  236   1HE   LYS  29           HES      LYS  29   1.481  -1.351 -11.658
  237   2HE   LYS  29           HER      LYS  29   0.832   0.214 -11.089
  238   1HZ   LYS  29           HZA      LYS  29   3.536  -0.140 -10.363
  239   2HZ   LYS  29           HZB      LYS  29   3.348  -0.259 -11.980
  240   3HZ   LYS  29           HZC      LYS  29   2.836   1.079 -11.195
  241    H    CYS  30           HN       CYS  30  -1.713   2.192  -7.521
  242    HA   CYS  30           HA       CYS  30  -2.948   0.155  -6.025
  243   1HB   CYS  30           HBS      CYS  30  -3.926   2.257  -7.206
  244   2HB   CYS  30           HBR      CYS  30  -4.155   1.138  -8.584
  245    H    GLU  31           HN       GLU  31  -2.921  -1.927  -6.192
  246    HA   GLU  31           HA       GLU  31  -2.619  -3.235  -8.855
  247   1HB   GLU  31           HBR      GLU  31  -2.837  -4.620  -6.204
  248   2HB   GLU  31           HBS      GLU  31  -2.239  -5.178  -7.669
  249   1HG   GLU  31           HGR      GLU  31  -0.305  -3.474  -7.549
  250   2HG   GLU  31           HGS      GLU  31  -0.887  -3.180  -5.889
  251    H    LYS  32           HN       LYS  32  -4.935  -1.641  -8.009
  252    HA   LYS  32           HA       LYS  32  -6.975  -3.789  -8.373
  253   1HB   LYS  32           HBS      LYS  32  -6.900  -2.191  -6.243
  254   2HB   LYS  32           HBR      LYS  32  -7.704  -1.066  -7.374
  255   1HG   LYS  32           HGS      LYS  32  -8.687  -3.885  -6.782
  256   2HG   LYS  32           HGR      LYS  32  -9.276  -2.419  -5.947
  257   1HD   LYS  32           HDS      LYS  32  -9.531  -1.751  -8.599
  258   2HD   LYS  32           HDR      LYS  32  -9.788  -3.474  -8.653
  259   1HE   LYS  32           HER      LYS  32 -11.870  -3.175  -8.061
  260   2HE   LYS  32           HES      LYS  32 -11.307  -2.591  -6.470
  261   1HZ   LYS  32           HZA      LYS  32 -11.207  -0.673  -8.600
  262   2HZ   LYS  32           HZB      LYS  32 -12.714  -1.136  -8.169
  263   3HZ   LYS  32           HZC      LYS  32 -11.705  -0.496  -7.055
  264    H    CYS  33           HN       CYS  33  -6.475  -0.276  -8.897
  265    HA   CYS  33           HA       CYS  33  -7.774  -0.620 -11.518
  266   1HB   CYS  33           HBS      CYS  33  -8.247   1.720 -11.458
  267   2HB   CYS  33           HBR      CYS  33  -8.768   0.919  -9.951
  268    H    GLY  34           HN       GLY  34  -4.663  -0.236 -10.229
  269   1HA   GLY  34           HAR      GLY  34  -2.604   0.063 -11.226
  270   2HA   GLY  34           HAS      GLY  34  -3.430   0.055 -12.806
  271    H    LYS  35           HN       LYS  35  -3.890   2.216  -9.999
  272    HA   LYS  35           HA       LYS  35  -3.006   4.526 -11.663
  273   1HB   LYS  35           HBR      LYS  35  -5.230   4.764 -10.628
  274   2HB   LYS  35           HBS      LYS  35  -4.500   4.502  -9.018
  275   1HG   LYS  35           HGS      LYS  35  -3.925   6.658  -8.850
  276   2HG   LYS  35           HGR      LYS  35  -3.124   6.628 -10.447
  277   1HD   LYS  35           HDS      LYS  35  -4.716   8.060 -11.060
  278   2HD   LYS  35           HDR      LYS  35  -5.724   6.642 -11.170
  279   1HE   LYS  35           HES      LYS  35  -5.983   7.238  -8.524
  280   2HE   LYS  35           HER      LYS  35  -5.807   8.852  -9.267
  281   1HZ   LYS  35           HZB      LYS  35  -7.580   8.232 -10.783
  282   2HZ   LYS  35           HZC      LYS  35  -7.768   6.799 -10.025
  283   3HZ   LYS  35           HZA      LYS  35  -8.083   8.191  -9.230
  284    H    THR  36           HN       THR  36  -1.101   5.374 -11.285
  285    HA   THR  36           HA       THR  36   0.699   4.513  -9.213
  286    HB   THR  36           HB       THR  36   0.757   7.028 -10.978
  287    HG1  THR  36           HG1      THR  36   0.912   5.705 -12.196
  288   1HG2  THR  36           HMG      THR  36   2.435   6.289  -8.772
  289   2HG2  THR  36           HMG      THR  36   3.371   6.196 -10.287
  290   3HG2  THR  36           HMG      THR  36   2.538   7.709  -9.845
  291    H    LEU  37           HN       LEU  37   1.185   5.397  -7.287
  292    HA   LEU  37           HA       LEU  37  -0.979   7.071  -6.164
  293   1HB   LEU  37           HBS      LEU  37   1.031   5.201  -4.870
  294   2HB   LEU  37           HBR      LEU  37  -0.339   6.015  -4.060
  295    HG   LEU  37           HG       LEU  37  -0.587   3.935  -6.247
  296   1HD1  LEU  37           HMD      LEU  37  -0.577   3.801  -3.249
  297   2HD1  LEU  37           HMD      LEU  37  -1.645   2.713  -4.172
  298   3HD1  LEU  37           HMD      LEU  37   0.115   2.674  -4.444
  299   1HD2  LEU  37           HMD      LEU  37  -2.358   5.747  -5.957
  300   2HD2  LEU  37           HMD      LEU  37  -2.914   4.059  -5.843
  301   3HD2  LEU  37           HMD      LEU  37  -2.686   5.024  -4.362
  302    H    THR  38           HN       THR  38  -0.628   9.091  -5.676
  303    HA   THR  38           HA       THR  38   2.195  10.010  -5.395
  304    HB   THR  38           HB       THR  38   1.074  10.621  -7.632
  305    HG1  THR  38           HG1      THR  38   2.583  11.556  -7.298
  306   1HG2  THR  38           HMG      THR  38  -0.636  12.281  -5.788
  307   2HG2  THR  38           HMG      THR  38  -0.267  12.810  -7.449
  308   3HG2  THR  38           HMG      THR  38  -1.122  11.271  -7.174
  309    H    SER  39           HN       SER  39   1.764  12.602  -4.771
  310    HA   SER  39           HA       SER  39   1.300  14.042  -3.061
  311   1HB   SER  39           HBS      SER  39  -0.697  14.032  -4.443
  312   2HB   SER  39           HBR      SER  39  -1.401  12.715  -3.462
  313    HG   SER  39           HG       SER  39  -0.647  15.429  -2.742
  314    H    GLY  40           HN       GLY  40  -1.147  11.797  -1.901
  315   1HA   GLY  40           HAR      GLY  40   0.367  10.132  -0.350
  316   2HA   GLY  40           HAS      GLY  40  -0.033  11.466   0.768
  317    H    GLY  41           HN       GLY  41  -1.832   9.904  -1.903
  318   1HA   GLY  41           HAR      GLY  41  -4.234   9.898  -0.121
  319   2HA   GLY  41           HAS      GLY  41  -4.272  10.231  -1.871
  320    H    HIS  42           HN       HIS  42  -2.022   7.806  -0.988
  321    HA   HIS  42           HA       HIS  42  -3.848   5.680  -1.804
  322   1HB   HIS  42           HBS      HIS  42  -1.901   4.252  -1.944
  323   2HB   HIS  42           HBR      HIS  42  -1.557   5.811  -2.751
  324    HD1  HIS  42           HD1      HIS  42  -0.073   3.492  -0.351
  325    HD2  HIS  42           HD2      HIS  42  -0.071   7.616  -0.931
  326    HE1  HIS  42           HE1      HIS  42   1.809   4.398   1.033
  327    HE2  HIS  42           HE2      HIS  42   1.865   6.885   0.624
  328    H    ALA  43           HN       ALA  43  -2.863   3.481  -0.579
  329    HA   ALA  43           HA       ALA  43  -2.150   3.740   2.103
  330   1HB   ALA  43           HMB      ALA  43  -5.082   3.262   1.657
  331   2HB   ALA  43           HMB      ALA  43  -4.248   2.497   3.033
  332   3HB   ALA  43           HMB      ALA  43  -4.259   4.271   2.873
  333    H    GLU  44           HN       GLU  44  -1.881   1.640   3.146
  334    HA   GLU  44           HA       GLU  44  -1.062  -0.208   0.959
  335   1HB   GLU  44           HBR      GLU  44   0.937  -0.423   2.125
  336   2HB   GLU  44           HBS      GLU  44   0.532   1.206   2.120
  337   1HG   GLU  44           HGS      GLU  44   1.234   1.026   4.274
  338   2HG   GLU  44           HGR      GLU  44  -0.531   0.878   4.499
  339    H    HIS  45           HN       HIS  45  -1.444  -2.320   1.066
  340    HA   HIS  45           HA       HIS  45  -2.268  -3.501   3.660
  341   1HB   HIS  45           HBS      HIS  45  -3.995  -4.019   1.948
  342   2HB   HIS  45           HBR      HIS  45  -2.727  -4.699   0.890
  343    HD1  HIS  45           HD1      HIS  45  -4.557  -5.443   4.164
  344    HD2  HIS  45           HD2      HIS  45  -2.064  -7.274   1.374
  345    HE1  HIS  45           HE1      HIS  45  -4.512  -7.878   4.748
  346    HE2  HIS  45           HE2      HIS  45  -3.002  -8.992   3.066
  347    H    GLU  46           HN       GLU  46  -1.256  -5.646   3.988
  348    HA   GLU  46           HA       GLU  46   1.419  -5.084   4.270
  349   1HB   GLU  46           HBR      GLU  46   0.017  -7.764   4.316
  350   2HB   GLU  46           HBS      GLU  46   1.584  -7.491   4.849
  351   1HG   GLU  46           HGR      GLU  46  -0.392  -5.640   6.112
  352   2HG   GLU  46           HGS      GLU  46  -0.524  -7.375   6.505
  353    H    GLY  47           HN       GLY  47   2.569  -4.616   2.464
  354   1HA   GLY  47           HAR      GLY  47   4.211  -5.551   0.997
  355   2HA   GLY  47           HAS      GLY  47   3.066  -6.847   0.562
  356    H    LYS  48           HN       LYS  48   0.973  -4.505   0.537
  357    HA   LYS  48           HA       LYS  48   1.454  -3.733  -2.299
  358   1HB   LYS  48           HBR      LYS  48  -0.922  -5.280  -1.207
  359   2HB   LYS  48           HBS      LYS  48  -0.819  -4.553  -2.836
  360   1HG   LYS  48           HGR      LYS  48   1.011  -6.040  -3.432
  361   2HG   LYS  48           HGS      LYS  48   1.046  -6.709  -1.776
  362   1HD   LYS  48           HDR      LYS  48  -1.488  -6.832  -3.321
  363   2HD   LYS  48           HDS      LYS  48  -0.203  -7.909  -3.794
  364   1HE   LYS  48           HES      LYS  48  -0.112  -8.824  -1.521
  365   2HE   LYS  48           HER      LYS  48  -1.373  -7.662  -1.022
  366   1HZ   LYS  48           HZB      LYS  48  -2.543  -8.828  -3.064
  367   2HZ   LYS  48           HZC      LYS  48  -1.616 -10.078  -2.566
  368   3HZ   LYS  48           HZA      LYS  48  -2.676  -9.384  -1.533
  369    HA   PRO  49           HA       PRO  49  -0.610  -0.074  -0.778
  370   1HB   PRO  49           HBR      PRO  49   0.418   1.419  -2.733
  371   2HB   PRO  49           HBS      PRO  49   1.055   1.303  -1.224
  372   1HG   PRO  49           HGS      PRO  49   2.035   0.230  -3.595
  373   2HG   PRO  49           HGR      PRO  49   2.839   0.460  -2.150
  374   1HD   PRO  49           HDS      PRO  49   1.891  -1.902  -3.116
  375   2HD   PRO  49           HDR      PRO  49   2.558  -1.645  -1.624
  376    H    TYR  50           HN       TYR  50  -2.253   1.256  -1.611
  377    HA   TYR  50           HA       TYR  50  -3.096   0.816  -4.361
  378   1HB   TYR  50           HBR      TYR  50  -4.940  -0.004  -2.084
  379   2HB   TYR  50           HBS      TYR  50  -5.363   0.079  -3.817
  380    HD1  TYR  50           HD2      TYR  50  -3.342  -1.737  -1.300
  381    HD2  TYR  50           HD1      TYR  50  -4.935  -1.785  -5.243
  382    HE1  TYR  50           HE2      TYR  50  -2.814  -4.127  -1.475
  383    HE2  TYR  50           HE1      TYR  50  -4.439  -4.185  -5.420
  384    HH   TYR  50           HH       TYR  50  -2.716  -5.765  -4.375
  385    H    CYS  51           HN       CYS  51  -5.287   2.043  -4.647
  386    HA   CYS  51           HA       CYS  51  -5.388   4.632  -3.720
  387   1HB   CYS  51           HBS      CYS  51  -7.723   2.800  -4.319
  388   2HB   CYS  51           HBR      CYS  51  -7.844   4.565  -4.076
  389    H    ASN  52           HN       ASN  52  -5.903   5.701  -1.959
  390    HA   ASN  52           HA       ASN  52  -6.663   4.525   0.510
  391   1HB   ASN  52           HBR      ASN  52  -5.618   6.757   0.237
  392   2HB   ASN  52           HBS      ASN  52  -7.192   7.365  -0.357
  393   1HD2  ASN  52           HD2      ASN  52  -7.349   8.335   3.095
  394   2HD2  ASN  52           HD2      ASN  52  -6.891   8.861   1.510
  395    H    HIS  53           HN       HIS  53  -8.520   5.768  -2.221
  396    HA   HIS  53           HA       HIS  53 -10.572   3.814  -1.588
  397   1HB   HIS  53           HBS      HIS  53 -11.202   6.773  -1.448
  398   2HB   HIS  53           HBR      HIS  53 -12.406   5.616  -2.079
  399    HD1  HIS  53           HD1      HIS  53 -13.848   4.482  -0.322
  400    HD2  HIS  53           HD2      HIS  53 -10.423   6.238   1.269
  401    HE1  HIS  53           HE1      HIS  53 -14.124   4.441   2.167
  402    HE2  HIS  53           HE2      HIS  53 -12.053   5.497   3.137
  403    HA   PRO  54           HA       PRO  54 -12.633   3.652  -2.260
  404   1HB   PRO  54           HBR      PRO  54 -13.850   1.963  -3.884
  405   2HB   PRO  54           HBS      PRO  54 -14.402   3.487  -3.611
  406   1HG   PRO  54           HGR      PRO  54 -13.357   2.484  -5.951
  407   2HG   PRO  54           HGS      PRO  54 -14.037   3.983  -5.681
  408   1HD   PRO  54           HDR      PRO  54 -11.318   3.285  -5.759
  409   2HD   PRO  54           HDS      PRO  54 -11.993   4.791  -5.892
  410    H    CYS  55           HN       CYS  55 -10.300   2.447  -4.291
  411    HA   CYS  55           HA       CYS  55 -10.792  -0.196  -4.276
  412   1HB   CYS  55           HBS      CYS  55  -8.022   1.026  -4.341
  413   2HB   CYS  55           HBR      CYS  55  -8.500  -0.580  -4.963
  414    H    TYR  56           HN       TYR  56  -8.856   1.509  -1.836
  415    HA   TYR  56           HA       TYR  56  -8.041  -0.818  -0.353
  416   1HB   TYR  56           HBR      TYR  56  -6.908   1.306  -0.049
  417   2HB   TYR  56           HBS      TYR  56  -8.423   2.078   0.499
  418    HD1  TYR  56           HD2      TYR  56  -5.844  -0.438   1.389
  419    HD2  TYR  56           HD1      TYR  56  -9.077   1.938   2.800
  420    HE1  TYR  56           HE2      TYR  56  -5.241  -1.006   3.698
  421    HE2  TYR  56           HE1      TYR  56  -8.477   1.388   5.119
  422    HH   TYR  56           HH       TYR  56  -5.419  -0.233   5.819
  423    H    SER  57           HN       SER  57 -10.645   1.591   0.186
  424    HA   SER  57           HA       SER  57 -11.599   0.208   2.493
  425   1HB   SER  57           HBS      SER  57 -12.099   2.706   1.158
  426   2HB   SER  57           HBR      SER  57 -13.646   1.919   1.583
  427    HG   SER  57           HG       SER  57 -11.682   3.179   3.083
  428    H    ALA  58           HN       ALA  58 -12.138  -0.216  -0.859
  429    HA   ALA  58           HA       ALA  58 -14.662  -1.579  -0.612
  430   1HB   ALA  58           HMB      ALA  58 -12.569  -1.499  -2.799
  431   2HB   ALA  58           HMB      ALA  58 -14.150  -2.308  -2.939
  432   3HB   ALA  58           HMB      ALA  58 -14.070  -0.546  -2.685
  433    H    MET  59           HN       MET  59 -11.298  -2.687  -1.154
  434    HA   MET  59           HA       MET  59 -12.221  -5.462  -0.869
  435   1HB   MET  59           HBR      MET  59  -9.804  -4.136  -2.071
  436   2HB   MET  59           HBS      MET  59  -9.757  -5.858  -1.617
  437   1HG   MET  59           HGS      MET  59 -10.483  -5.927  -3.866
  438   2HG   MET  59           HGR      MET  59 -11.985  -6.071  -2.923
  439   1HE   MET  59           HME      MET  59 -12.632  -5.518  -5.461
  440   2HE   MET  59           HME      MET  59 -13.919  -4.784  -4.471
  441   3HE   MET  59           HME      MET  59 -13.229  -3.883  -5.844
  442    H    PHE  60           HN       PHE  60 -10.079  -3.118   0.661
  443    HA   PHE  60           HA       PHE  60  -9.369  -5.162   2.710
  444   1HB   PHE  60           HBR      PHE  60  -7.622  -3.155   1.298
  445   2HB   PHE  60           HBS      PHE  60  -7.291  -3.548   3.009
  446    HD1  PHE  60           HD1      PHE  60  -7.614  -6.166   3.447
  447    HD2  PHE  60           HD2      PHE  60  -6.317  -4.452  -0.232
  448    HE1  PHE  60           HE1      PHE  60  -6.428  -8.248   2.921
  449    HE2  PHE  60           HE2      PHE  60  -5.111  -6.540  -0.785
  450    HZ   PHE  60           HZ       PHE  60  -5.115  -8.411   0.840
  451    H    GLY  61           HN       GLY  61 -11.171  -4.490   3.931
  452   1HA   GLY  61           HAS      GLY  61 -10.988  -2.763   5.988
  453   2HA   GLY  61           HAR      GLY  61 -11.498  -1.662   4.678
  454    HA   PRO  62           HA       PRO  62 -15.060  -4.888   5.512
  455   1HB   PRO  62           HBR      PRO  62 -14.501  -6.236   7.834
  456   2HB   PRO  62           HBS      PRO  62 -14.719  -6.888   6.343
  457   1HG   PRO  62           HGS      PRO  62 -12.407  -6.786   7.708
  458   2HG   PRO  62           HGR      PRO  62 -12.590  -7.269   6.122
  459   1HD   PRO  62           HDS      PRO  62 -11.586  -4.839   7.099
  460   2HD   PRO  62           HDR      PRO  62 -11.419  -5.486   5.586
  461    H    LYS  63           HN       LYS  63 -13.348  -2.928   7.561
  462    HA   LYS  63           HA       LYS  63 -15.658  -2.558   9.377
  463   1HB   LYS  63           HBR      LYS  63 -13.076  -2.994   9.984
  464   2HB   LYS  63           HBS      LYS  63 -13.049  -1.210   9.877
  465   1HG   LYS  63           HGR      LYS  63 -15.312  -1.689  11.395
  466   2HG   LYS  63           HGS      LYS  63 -14.196  -2.974  11.941
  467   1HD   LYS  63           HDS      LYS  63 -13.357  -0.089  11.771
  468   2HD   LYS  63           HDR      LYS  63 -14.207  -0.724  13.152
  469   1HE   LYS  63           HES      LYS  63 -12.100  -2.535  12.580
  470   2HE   LYS  63           HER      LYS  63 -11.447  -0.873  12.562
  471   1HZ   LYS  63           HZB      LYS  63 -13.231  -1.335  14.715
  472   2HZ   LYS  63           HZC      LYS  63 -11.951  -2.351  14.758
  473   3HZ   LYS  63           HZA      LYS  63 -11.712  -0.735  14.733
  474    H    GLY  64           HN       GLY  64 -15.366  -0.153  10.384
  475   1HA   GLY  64           HAR      GLY  64 -14.997   1.813   8.185
  476   2HA   GLY  64           HAS      GLY  64 -16.463   1.902   9.197
  477    H    PHE  65           HN       PHE  65 -14.059   3.694   8.828
  478    HA   PHE  65           HA       PHE  65 -12.903   3.612  11.562
  479   1HB   PHE  65           HBR      PHE  65 -11.703   5.051   9.169
  480   2HB   PHE  65           HBS      PHE  65 -10.930   4.632  10.725
  481    HD1  PHE  65           HD2      PHE  65 -12.761   2.705   8.002
  482    HD2  PHE  65           HD1      PHE  65  -9.453   3.001  10.672
  483    HE1  PHE  65           HE2      PHE  65 -11.834   0.607   7.076
  484    HE2  PHE  65           HE1      PHE  65  -8.511   0.923   9.769
  485    HZ   PHE  65           HZ       PHE  65  -9.668  -0.243   7.929
  486    H    GLY  66           HN       GLY  66 -15.438   4.956  10.485
  487   1HA   GLY  66           HAR      GLY  66 -14.843   7.794  10.532
  488   2HA   GLY  66           HAS      GLY  66 -16.450   7.033  10.373
  489    H    ARG  67           HN       ARG  67 -14.486   8.869  12.335
  490    HA   ARG  67           HA       ARG  67 -16.424   8.530  14.550
  491   1HB   ARG  67           HBR      ARG  67 -14.748   8.956  16.228
  492   2HB   ARG  67           HBS      ARG  67 -14.325   7.488  15.299
  493   1HG   ARG  67           HGS      ARG  67 -12.843   9.158  13.912
  494   2HG   ARG  67           HGR      ARG  67 -12.973  10.171  15.377
  495   1HD   ARG  67           HDS      ARG  67 -12.041   7.301  15.307
  496   2HD   ARG  67           HDR      ARG  67 -10.976   8.736  15.349
  497    HE   ARG  67           HE       ARG  67 -12.914   8.666  17.509
  498   1HH1  ARG  67           HH1      ARG  67  -9.857   7.256  16.463
  499   2HH1  ARG  67           HH1      ARG  67  -9.224   7.160  18.073
  500   1HH2  ARG  67           HH2      ARG  67 -12.003   8.645  19.584
  501   2HH2  ARG  67           HH2      ARG  67 -10.439   7.944  19.840
  502    H    GLY  68           HN       GLY  68 -17.601  10.288  14.263
  503   1HA   GLY  68           HAR      GLY  68 -16.280  12.949  14.097
  504   2HA   GLY  68           HAS      GLY  68 -17.389  12.432  12.799
  505    H    GLY  69           HN       GLY  69 -19.585  11.745  13.489
  506   1HA   GLY  69           HAS      GLY  69 -21.620  12.280  14.450
  507   2HA   GLY  69           HAR      GLY  69 -20.760  12.758  15.937
  508    H    ALA  70           HN       ALA  70 -21.450  13.793  12.591
  509    HA   ALA  70           HA       ALA  70 -21.175  16.618  13.464
  510   1HB   ALA  70           HMB      ALA  70 -19.698  15.857  11.670
  511   2HB   ALA  70           HMB      ALA  70 -21.112  15.375  10.700
  512   3HB   ALA  70           HMB      ALA  70 -20.846  17.092  11.096
  513    H    GLU  71           HN       GLU  71 -23.271  16.629  14.431
  514    HA   GLU  71           HA       GLU  71 -25.494  17.289  12.666
  515   1HB   GLU  71           HBR      GLU  71 -24.899  14.600  13.185
  516   2HB   GLU  71           HBS      GLU  71 -26.045  14.991  14.348
  517   1HG   GLU  71           HGS      GLU  71 -27.763  14.919  13.002
  518   2HG   GLU  71           HGR      GLU  71 -27.042  16.065  11.841
  519    H    SER  72           HN       SER  72 -24.147  18.632  14.739
  520    HA   SER  72           HA       SER  72 -25.511  18.482  17.201
  521   1HB   SER  72           HBR      SER  72 -24.792  21.036  17.235
  522   2HB   SER  72           HBS      SER  72 -23.625  19.698  17.430
  523    HG   SER  72           HG       SER  72 -24.249  21.402  15.189
  524    H    HIS  73           HN       HIS  73 -26.329  20.039  14.166
  525    HA   HIS  73           HA       HIS  73 -28.563  21.476  15.481
  526   1HB   HIS  73           HBR      HIS  73 -26.640  22.424  13.704
  527   2HB   HIS  73           HBS      HIS  73 -28.068  22.154  12.663
  528    HD1  HIS  73           HD1      HIS  73 -26.936  25.060  13.538
  529    HD2  HIS  73           HD2      HIS  73 -30.182  23.034  15.183
  530    HE1  HIS  73           HE1      HIS  73 -28.475  26.814  14.451
  531    HE2  HIS  73           HE2      HIS  73 -30.453  25.595  15.428
  532    H    THR  74           HN       THR  74 -30.153  22.017  13.356
  533    HA   THR  74           HA       THR  74 -31.960  21.181  12.214
  534    HB   THR  74           HB       THR  74 -30.502  18.480  12.167
  535    HG1  THR  74           HG1      THR  74 -29.332  19.463  11.213
  536   1HG2  THR  74           HMG      THR  74 -33.072  19.394  11.086
  537   2HG2  THR  74           HMG      THR  74 -32.003  18.638   9.876
  538   3HG2  THR  74           HMG      THR  74 -32.453  17.744  11.352
  539    H    PHE  75           HN       PHE  75 -33.882  20.588  12.970
  540    HA   PHE  75           HA       PHE  75 -33.885  19.307  15.657
  541   1HB   PHE  75           HBR      PHE  75 -35.213  21.775  14.620
  542   2HB   PHE  75           HBS      PHE  75 -36.182  20.729  15.699
  543    HD1  PHE  75           HD2      PHE  75 -32.613  22.046  15.628
  544    HD2  PHE  75           HD1      PHE  75 -36.146  21.195  17.850
  545    HE1  PHE  75           HE2      PHE  75 -31.565  23.010  17.650
  546    HE2  PHE  75           HE1      PHE  75 -35.131  22.149  19.869
  547    HZ   PHE  75           HZ       PHE  75 -32.864  23.113  19.759
  548    H    LYS  76           HN       LYS  76 -36.499  19.007  16.113
  549    HA   LYS  76           HA       LYS  76 -37.371  16.851  14.355
  550   1HB   LYS  76           HBR      LYS  76 -37.846  16.910  16.811
  551   2HB   LYS  76           HBS      LYS  76 -38.930  18.300  16.517
  552   1HG   LYS  76           HGR      LYS  76 -39.612  16.144  14.721
  553   2HG   LYS  76           HGS      LYS  76 -39.554  15.533  16.399
  554   1HD   LYS  76           HDS      LYS  76 -41.524  16.390  16.806
  555   2HD   LYS  76           HDR      LYS  76 -40.859  17.982  16.559
  556   1HE   LYS  76           HES      LYS  76 -42.548  18.061  15.051
  557   2HE   LYS  76           HER      LYS  76 -41.229  17.432  14.023
  558   1HZ   LYS  76           HZA      LYS  76 -42.095  15.196  14.615
  559   2HZ   LYS  76           HZB      LYS  76 -43.411  15.914  15.263
  560   3HZ   LYS  76           HZC      LYS  76 -43.087  16.086  13.672
   
  No H/Q in entry =         560
  Start of MODEL    7
    1    H    PRO   1           HN       PRO   1  15.220   2.449   5.594
    2    HA   PRO   1           HA       PRO   1  13.657   3.927   4.415
    3   1HB   PRO   1           HBS      PRO   1  15.335   4.927   2.545
    4   2HB   PRO   1           HBR      PRO   1  14.578   5.800   3.710
    5   1HG   PRO   1           HGR      PRO   1  17.261   5.023   3.573
    6   2HG   PRO   1           HGS      PRO   1  16.565   6.224   4.497
    7   1HD   PRO   1           HDS      PRO   1  17.415   3.866   5.441
    8   2HD   PRO   1           HDR      PRO   1  16.386   4.890   6.233
    9    H    LYS   2           HN       LYS   2  13.198   1.650   4.262
   10    HA   LYS   2           HA       LYS   2  14.237   0.522   1.701
   11   1HB   LYS   2           HBS      LYS   2  13.600  -0.867   4.324
   12   2HB   LYS   2           HBR      LYS   2  14.008  -1.690   2.791
   13   1HG   LYS   2           HGR      LYS   2  16.204  -0.411   2.825
   14   2HG   LYS   2           HGS      LYS   2  15.788   0.094   4.489
   15   1HD   LYS   2           HDR      LYS   2  16.166  -2.719   3.491
   16   2HD   LYS   2           HDS      LYS   2  17.297  -1.819   4.462
   17   1HE   LYS   2           HES      LYS   2  16.298  -2.587   6.296
   18   2HE   LYS   2           HER      LYS   2  14.800  -1.749   5.799
   19   1HZ   LYS   2           HZB      LYS   2  14.908  -3.980   4.269
   20   2HZ   LYS   2           HZC      LYS   2  15.411  -4.506   5.730
   21   3HZ   LYS   2           HZA      LYS   2  13.965  -3.760   5.583
   22    H    CYS   3           HN       CYS   3  12.862  -0.580   0.400
   23    HA   CYS   3           HA       CYS   3  10.224   0.376   0.508
   24   1HB   CYS   3           HBS      CYS   3  11.688   0.076  -1.490
   25   2HB   CYS   3           HBR      CYS   3  11.371  -1.681  -1.382
   26    HA   PRO   4           HA       PRO   4   8.222  -3.104   2.479
   27   1HB   PRO   4           HBR      PRO   4   5.827  -1.804   2.296
   28   2HB   PRO   4           HBS      PRO   4   6.736  -1.988   3.651
   29   1HG   PRO   4           HGS      PRO   4   6.265   0.322   2.388
   30   2HG   PRO   4           HGR      PRO   4   7.396   0.088   3.591
   31   1HD   PRO   4           HDS      PRO   4   7.798   0.246   0.794
   32   2HD   PRO   4           HDR      PRO   4   8.868   0.591   2.008
   33    H    LYS   5           HN       LYS   5   7.935  -1.792  -0.544
   34    HA   LYS   5           HA       LYS   5   5.700  -3.485  -1.438
   35   1HB   LYS   5           HBR      LYS   5   6.447  -1.066  -2.274
   36   2HB   LYS   5           HBS      LYS   5   7.477  -2.044  -3.358
   37   1HG   LYS   5           HGS      LYS   5   4.447  -2.167  -3.113
   38   2HG   LYS   5           HGR      LYS   5   5.388  -1.507  -4.479
   39   1HD   LYS   5           HDR      LYS   5   6.406  -3.983  -4.354
   40   2HD   LYS   5           HDS      LYS   5   4.845  -4.327  -3.657
   41   1HE   LYS   5           HES      LYS   5   3.802  -3.234  -5.674
   42   2HE   LYS   5           HER      LYS   5   5.449  -3.123  -6.354
   43   1HZ   LYS   5           HZA      LYS   5   5.237  -5.689  -5.597
   44   2HZ   LYS   5           HZB      LYS   5   3.731  -5.377  -6.146
   45   3HZ   LYS   5           HZC      LYS   5   5.021  -5.135  -7.119
   46    H    CYS   6           HN       CYS   6   8.989  -2.941  -2.749
   47    HA   CYS   6           HA       CYS   6   8.803  -5.628  -3.915
   48   1HB   CYS   6           HBS      CYS   6  10.666  -4.960  -5.323
   49   2HB   CYS   6           HBR      CYS   6   9.290  -3.827  -5.413
   50    H    ASP   7           HN       ASP   7  10.309  -4.077  -1.276
   51    HA   ASP   7           HA       ASP   7  11.874  -4.681   0.234
   52   1HB   ASP   7           HBS      ASP   7  10.669  -6.995  -0.281
   53   2HB   ASP   7           HBR      ASP   7  12.314  -7.400  -0.852
   54    H    LYS   8           HN       LYS   8  12.808  -3.079  -1.487
   55    HA   LYS   8           HA       LYS   8  15.611  -4.070  -1.563
   56   1HB   LYS   8           HBR      LYS   8  14.198  -2.858  -3.740
   57   2HB   LYS   8           HBS      LYS   8  15.414  -1.699  -3.132
   58   1HG   LYS   8           HGS      LYS   8  17.204  -3.110  -3.639
   59   2HG   LYS   8           HGR      LYS   8  16.174  -4.570  -3.677
   60   1HD   LYS   8           HDR      LYS   8  15.712  -2.374  -5.643
   61   2HD   LYS   8           HDS      LYS   8  17.135  -3.356  -5.859
   62   1HE   LYS   8           HES      LYS   8  15.554  -4.437  -7.163
   63   2HE   LYS   8           HER      LYS   8  15.498  -5.355  -5.633
   64   1HZ   LYS   8           HZA      LYS   8  13.709  -3.092  -6.023
   65   2HZ   LYS   8           HZB      LYS   8  13.340  -4.527  -6.710
   66   3HZ   LYS   8           HZC      LYS   8  13.513  -4.418  -5.090
   67    H    GLU   9           HN       GLU   9  16.898  -1.701  -1.744
   68    HA   GLU   9           HA       GLU   9  15.855  -0.033   0.506
   69   1HB   GLU   9           HBS      GLU   9  18.443   0.517  -0.724
   70   2HB   GLU   9           HBR      GLU   9  17.992   0.725   0.874
   71   1HG   GLU   9           HGS      GLU   9  18.172  -1.752   1.235
   72   2HG   GLU   9           HGR      GLU   9  18.670  -1.983  -0.463
   73    H    VAL  10           HN       VAL  10  15.758   2.214   0.186
   74    HA   VAL  10           HA       VAL  10  15.067   2.776  -2.640
   75    HB   VAL  10           HB       VAL  10  13.843   3.597  -0.009
   76   1HG1  VAL  10           HMG      VAL  10  13.937   5.518  -1.729
   77   2HG1  VAL  10           HMG      VAL  10  12.742   4.565  -2.639
   78   3HG1  VAL  10           HMG      VAL  10  12.372   5.109  -0.984
   79   1HG2  VAL  10           HMG      VAL  10  13.413   1.408  -1.559
   80   2HG2  VAL  10           HMG      VAL  10  12.239   2.117  -0.428
   81   3HG2  VAL  10           HMG      VAL  10  12.158   2.526  -2.157
   82    H    TYR  11           HN       TYR  11  16.188   4.176  -3.708
   83    HA   TYR  11           HA       TYR  11  18.237   5.829  -2.404
   84   1HB   TYR  11           HBR      TYR  11  17.505   5.076  -5.201
   85   2HB   TYR  11           HBS      TYR  11  18.254   6.678  -4.953
   86    HD1  TYR  11           HD1      TYR  11  18.791   3.013  -4.471
   87    HD2  TYR  11           HD2      TYR  11  20.573   6.873  -4.563
   88    HE1  TYR  11           HE1      TYR  11  21.018   1.980  -4.378
   89    HE2  TYR  11           HE2      TYR  11  22.803   5.856  -4.441
   90    HH   TYR  11           HH       TYR  11  23.322   2.923  -3.244
   91    H    PHE  12           HN       PHE  12  18.258   8.097  -2.537
   92    HA   PHE  12           HA       PHE  12  16.023   8.974  -1.279
   93   1HB   PHE  12           HBS      PHE  12  16.978  11.419  -1.900
   94   2HB   PHE  12           HBR      PHE  12  17.731  10.352  -0.682
   95    HD1  PHE  12           HD2      PHE  12  19.813   8.995  -1.396
   96    HD2  PHE  12           HD1      PHE  12  18.106  12.166  -3.674
   97    HE1  PHE  12           HE2      PHE  12  21.944   9.252  -2.622
   98    HE2  PHE  12           HE1      PHE  12  20.205  12.430  -4.916
   99    HZ   PHE  12           HZ       PHE  12  22.125  10.973  -4.396
  100    H    ALA  13           HN       ALA  13  17.013  10.521  -4.360
  101    HA   ALA  13           HA       ALA  13  14.605  11.689  -4.761
  102   1HB   ALA  13           HMB      ALA  13  16.985  11.077  -6.424
  103   2HB   ALA  13           HMB      ALA  13  15.518  11.541  -7.324
  104   3HB   ALA  13           HMB      ALA  13  16.195  12.639  -6.094
  105    H    GLU  14           HN       GLU  14  15.112   8.420  -5.083
  106    HA   GLU  14           HA       GLU  14  12.827   8.057  -6.913
  107   1HB   GLU  14           HBS      GLU  14  14.677   6.195  -5.484
  108   2HB   GLU  14           HBR      GLU  14  13.494   5.642  -6.538
  109   1HG   GLU  14           HGS      GLU  14  15.204   7.754  -7.683
  110   2HG   GLU  14           HGR      GLU  14  16.179   6.342  -7.194
  111    H    ARG  15           HN       ARG  15  12.763   9.059  -3.973
  112    HA   ARG  15           HA       ARG  15  11.588   6.751  -2.604
  113   1HB   ARG  15           HBR      ARG  15  11.921   7.929  -0.573
  114   2HB   ARG  15           HBS      ARG  15  13.386   8.153  -1.567
  115   1HG   ARG  15           HGR      ARG  15  12.259  10.408  -2.252
  116   2HG   ARG  15           HGS      ARG  15  11.281  10.153  -0.779
  117   1HD   ARG  15           HDR      ARG  15  14.259  10.460  -1.048
  118   2HD   ARG  15           HDS      ARG  15  13.105  11.453  -0.115
  119    HE   ARG  15           HE       ARG  15  12.805   9.161   1.166
  120   1HH1  ARG  15           HH1      ARG  15  15.743  10.828   0.153
  121   2HH1  ARG  15           HH1      ARG  15  16.739   9.999   1.303
  122   1HH2  ARG  15           HH2      ARG  15  14.162   8.000   2.562
  123   2HH2  ARG  15           HH2      ARG  15  15.845   8.403   2.668
  124    H    VAL  16           HN       VAL  16   9.656   6.755  -1.472
  125    HA   VAL  16           HA       VAL  16   8.180   9.231  -1.265
  126    HB   VAL  16           HB       VAL  16   6.041   8.434  -1.991
  127   1HG1  VAL  16           HMG      VAL  16   8.152   8.030  -4.123
  128   2HG1  VAL  16           HMG      VAL  16   6.407   8.195  -4.437
  129   3HG1  VAL  16           HMG      VAL  16   7.311   9.540  -3.700
  130   1HG2  VAL  16           HMG      VAL  16   6.353   6.046  -1.444
  131   2HG2  VAL  16           HMG      VAL  16   5.644   6.312  -3.055
  132   3HG2  VAL  16           HMG      VAL  16   7.361   5.867  -2.900
  133    H    THR  17           HN       THR  17   6.741   9.238   0.491
  134    HA   THR  17           HA       THR  17   7.634   7.246   2.512
  135    HB   THR  17           HB       THR  17   6.621  10.013   3.263
  136    HG1  THR  17           HG1      THR  17   8.369  10.808   2.957
  137   1HG2  THR  17           HMG      THR  17   8.542   8.019   4.450
  138   2HG2  THR  17           HMG      THR  17   8.533   9.728   4.956
  139   3HG2  THR  17           HMG      THR  17   7.073   8.728   5.165
  140    H    SER  18           HN       SER  18   6.226   6.359   3.930
  141    HA   SER  18           HA       SER  18   3.583   7.004   4.350
  142   1HB   SER  18           HBS      SER  18   3.224   6.603   1.946
  143   2HB   SER  18           HBR      SER  18   3.741   4.907   2.165
  144    HG   SER  18           HG       SER  18   1.402   6.350   2.889
  145    H    LEU  19           HN       LEU  19   2.628   5.672   5.818
  146    HA   LEU  19           HA       LEU  19   2.709   4.348   7.682
  147   1HB   LEU  19           HBR      LEU  19   3.773   2.594   5.465
  148   2HB   LEU  19           HBS      LEU  19   3.478   1.977   7.116
  149    HG   LEU  19           HG       LEU  19   1.613   1.369   5.791
  150   1HD1  LEU  19           HMD      LEU  19   0.962   3.854   7.406
  151   2HD1  LEU  19           HMD      LEU  19  -0.233   2.668   6.820
  152   3HD1  LEU  19           HMD      LEU  19   1.009   2.174   7.998
  153   1HD2  LEU  19           HMD      LEU  19   2.228   3.218   4.084
  154   2HD2  LEU  19           HMD      LEU  19   0.512   2.777   4.284
  155   3HD2  LEU  19           HMD      LEU  19   1.148   4.256   5.050
  156    H    GLY  20           HN       GLY  20   5.085   6.071   6.981
  157   1HA   GLY  20           HAR      GLY  20   6.599   6.749   8.632
  158   2HA   GLY  20           HAS      GLY  20   6.585   5.101   9.314
  159    H    LYS  21           HN       LYS  21   6.925   4.211   6.337
  160    HA   LYS  21           HA       LYS  21   9.891   4.494   6.335
  161   1HB   LYS  21           HBR      LYS  21   8.234   1.995   6.105
  162   2HB   LYS  21           HBS      LYS  21   9.757   2.144   5.183
  163   1HG   LYS  21           HGS      LYS  21  10.342   2.965   7.834
  164   2HG   LYS  21           HGR      LYS  21   9.355   1.480   7.968
  165   1HD   LYS  21           HDS      LYS  21  11.005   0.605   6.123
  166   2HD   LYS  21           HDR      LYS  21  12.003   1.941   6.631
  167   1HE   LYS  21           HER      LYS  21  12.041   1.132   8.910
  168   2HE   LYS  21           HES      LYS  21  10.993  -0.240   8.454
  169   1HZ   LYS  21           HZC      LYS  21  13.642   0.285   7.294
  170   2HZ   LYS  21           HZA      LYS  21  13.358  -0.779   8.499
  171   3HZ   LYS  21           HZB      LYS  21  12.701  -1.023   7.025
  172    H    ASP  22           HN       ASP  22  10.819   4.121   4.204
  173    HA   ASP  22           HA       ASP  22   9.236   5.647   2.335
  174   1HB   ASP  22           HBS      ASP  22  12.076   4.770   1.899
  175   2HB   ASP  22           HBR      ASP  22  11.218   6.209   1.274
  176    H    TRP  23           HN       TRP  23   9.444   5.223  -0.036
  177    HA   TRP  23           HA       TRP  23   9.494   2.333  -0.726
  178   1HB   TRP  23           HBR      TRP  23   7.399   4.346  -1.561
  179   2HB   TRP  23           HBS      TRP  23   7.414   2.582  -1.884
  180    HD1  TRP  23           HD1      TRP  23   6.951   5.119   0.996
  181    HE1  TRP  23           HE1      TRP  23   5.278   4.124   2.679
  182    HE3  TRP  23           HE3      TRP  23   6.318   0.568  -1.184
  183    HZ2  TRP  23           HZ2      TRP  23   3.727   1.795   2.887
  184    HZ3  TRP  23           HZ3      TRP  23   4.750  -1.016  -0.162
  185    HH2  TRP  23           HH2      TRP  23   3.416  -0.394   1.783
  186    H    HIS  24           HN       ZHI  24   9.280   2.123  -3.197
  187    HA   HIS  24           HA       ZHI  24  10.869   4.190  -4.559
  188   1HB   HIS  24           HBS      ZHI  24   9.832   1.543  -5.671
  189   2HB   HIS  24           HBR      ZHI  24  10.991   2.659  -6.451
  190    HD2  HIS  24           HD2      ZHI  24  13.207   3.135  -4.341
  191    HE1  HIS  24           HE1      ZHI  24  12.907  -0.776  -2.898
  192    HE2  HIS  24           HE2      ZHI  24  14.463   1.179  -3.207
  193    H    ARG  25           HN       ARG  25  10.215   5.399  -6.252
  194    HA   ARG  25           HA       ARG  25   7.578   6.375  -6.086
  195   1HB   ARG  25           HBR      ARG  25   9.212   6.761  -8.581
  196   2HB   ARG  25           HBS      ARG  25   8.134   7.904  -7.730
  197   1HG   ARG  25           HGS      ARG  25   9.944   7.746  -5.836
  198   2HG   ARG  25           HGR      ARG  25  10.994   7.175  -7.164
  199   1HD   ARG  25           HDR      ARG  25   9.378   9.723  -7.217
  200   2HD   ARG  25           HDS      ARG  25  11.098   9.616  -6.747
  201    HE   ARG  25           HE       ARG  25  11.386   8.612  -9.104
  202   1HH1  ARG  25           HH1      ARG  25   9.205  11.237  -8.214
  203   2HH1  ARG  25           HH1      ARG  25   9.063  11.815  -9.840
  204   1HH2  ARG  25           HH2      ARG  25  11.071   9.319 -11.234
  205   2HH2  ARG  25           HH2      ARG  25  10.119  10.730 -11.549
  206    HA   PRO  26           HA       PRO  26   6.900   3.821 -10.218
  207   1HB   PRO  26           HBS      PRO  26   8.694   1.699  -9.954
  208   2HB   PRO  26           HBR      PRO  26   8.440   2.644 -11.272
  209   1HG   PRO  26           HGR      PRO  26  10.618   2.706  -9.744
  210   2HG   PRO  26           HGS      PRO  26  10.158   3.912 -10.803
  211   1HD   PRO  26           HDS      PRO  26  10.007   3.893  -7.994
  212   2HD   PRO  26           HDR      PRO  26   9.976   5.192  -9.019
  213    H    CYS  27           HN       CYS  27   7.821   2.436  -7.219
  214    HA   CYS  27           HA       CYS  27   6.266   0.077  -7.517
  215   1HB   CYS  27           HBS      CYS  27   7.783   1.397  -5.318
  216   2HB   CYS  27           HBR      CYS  27   6.569   0.162  -4.877
  217    H    LEU  28           HN       LEU  28   5.703   3.072  -5.646
  218    HA   LEU  28           HA       LEU  28   3.429   2.099  -4.304
  219   1HB   LEU  28           HBS      LEU  28   5.057   4.033  -3.821
  220   2HB   LEU  28           HBR      LEU  28   3.991   5.009  -4.870
  221    HG   LEU  28           HG       LEU  28   2.130   4.110  -3.214
  222   1HD1  LEU  28           HMD      LEU  28   4.323   2.968  -2.034
  223   2HD1  LEU  28           HMD      LEU  28   4.183   4.500  -1.135
  224   3HD1  LEU  28           HMD      LEU  28   2.803   3.375  -1.197
  225   1HD2  LEU  28           HMD      LEU  28   3.856   6.427  -3.440
  226   2HD2  LEU  28           HMD      LEU  28   2.121   6.334  -3.045
  227   3HD2  LEU  28           HMD      LEU  28   3.338   6.183  -1.752
  228    H    LYS  29           HN       LYS  29   1.976   1.167  -5.680
  229    HA   LYS  29           HA       LYS  29   0.329   2.991  -7.335
  230   1HB   LYS  29           HBR      LYS  29   0.465   1.479  -9.246
  231   2HB   LYS  29           HBS      LYS  29   2.057   2.183  -8.845
  232   1HG   LYS  29           HGR      LYS  29   2.125  -0.161  -7.422
  233   2HG   LYS  29           HGS      LYS  29   1.159  -0.637  -8.848
  234   1HD   LYS  29           HDS      LYS  29   3.008   0.502 -10.225
  235   2HD   LYS  29           HDR      LYS  29   3.946   0.461  -8.757
  236   1HE   LYS  29           HES      LYS  29   4.647  -1.486  -9.672
  237   2HE   LYS  29           HER      LYS  29   3.247  -2.068  -8.727
  238   1HZ   LYS  29           HZA      LYS  29   2.796  -1.206 -11.457
  239   2HZ   LYS  29           HZB      LYS  29   3.527  -2.648 -11.227
  240   3HZ   LYS  29           HZC      LYS  29   2.047  -2.374 -10.594
  241    H    CYS  30           HN       CYS  30  -1.720   2.229  -7.767
  242    HA   CYS  30           HA       CYS  30  -2.888   0.279  -5.981
  243   1HB   CYS  30           HBS      CYS  30  -3.972   2.322  -7.167
  244   2HB   CYS  30           HBR      CYS  30  -4.170   1.183  -8.531
  245    H    GLU  31           HN       GLU  31  -2.676  -1.803  -6.125
  246    HA   GLU  31           HA       GLU  31  -2.520  -3.129  -8.788
  247   1HB   GLU  31           HBS      GLU  31  -2.603  -4.403  -6.108
  248   2HB   GLU  31           HBR      GLU  31  -2.042  -5.103  -7.525
  249   1HG   GLU  31           HGS      GLU  31  -0.797  -2.968  -5.779
  250   2HG   GLU  31           HGR      GLU  31  -0.051  -4.545  -6.159
  251    H    LYS  32           HN       LYS  32  -4.828  -1.605  -8.028
  252    HA   LYS  32           HA       LYS  32  -6.802  -3.835  -8.256
  253   1HB   LYS  32           HBR      LYS  32  -6.643  -2.127  -6.140
  254   2HB   LYS  32           HBS      LYS  32  -7.737  -1.224  -7.225
  255   1HG   LYS  32           HGR      LYS  32  -8.160  -4.113  -6.369
  256   2HG   LYS  32           HGS      LYS  32  -8.920  -2.699  -5.582
  257   1HD   LYS  32           HDR      LYS  32  -9.596  -2.193  -8.106
  258   2HD   LYS  32           HDS      LYS  32  -9.467  -3.925  -8.238
  259   1HE   LYS  32           HES      LYS  32 -11.009  -2.754  -5.953
  260   2HE   LYS  32           HER      LYS  32 -11.715  -2.743  -7.595
  261   1HZ   LYS  32           HZB      LYS  32 -10.642  -5.176  -6.363
  262   2HZ   LYS  32           HZC      LYS  32 -12.202  -4.723  -6.185
  263   3HZ   LYS  32           HZA      LYS  32 -11.610  -5.053  -7.671
  264    H    CYS  33           HN       CYS  33  -6.238  -0.351  -8.891
  265    HA   CYS  33           HA       CYS  33  -7.670  -0.749 -11.465
  266   1HB   CYS  33           HBS      CYS  33  -8.135   1.607 -11.485
  267   2HB   CYS  33           HBR      CYS  33  -8.732   0.829  -9.995
  268    H    GLY  34           HN       GLY  34  -4.624   0.066 -10.024
  269   1HA   GLY  34           HAR      GLY  34  -2.551   0.369 -10.956
  270   2HA   GLY  34           HAS      GLY  34  -3.294  -0.005 -12.534
  271    H    LYS  35           HN       LYS  35  -3.894   2.659 -10.215
  272    HA   LYS  35           HA       LYS  35  -2.558   4.512 -12.134
  273   1HB   LYS  35           HBS      LYS  35  -3.686   6.371 -10.941
  274   2HB   LYS  35           HBR      LYS  35  -4.799   5.310 -11.849
  275   1HG   LYS  35           HGR      LYS  35  -6.009   4.934 -10.014
  276   2HG   LYS  35           HGS      LYS  35  -4.565   4.368  -9.125
  277   1HD   LYS  35           HDS      LYS  35  -5.643   7.173  -9.330
  278   2HD   LYS  35           HDR      LYS  35  -5.574   6.141  -7.928
  279   1HE   LYS  35           HES      LYS  35  -3.730   7.287  -7.425
  280   2HE   LYS  35           HER      LYS  35  -2.961   6.180  -8.597
  281   1HZ   LYS  35           HZA      LYS  35  -4.171   8.479  -9.771
  282   2HZ   LYS  35           HZB      LYS  35  -2.939   8.842  -8.764
  283   3HZ   LYS  35           HZC      LYS  35  -2.694   7.833 -10.024
  284    H    THR  36           HN       THR  36  -0.786   5.495 -11.437
  285    HA   THR  36           HA       THR  36   0.576   4.456  -9.112
  286    HB   THR  36           HB       THR  36   1.272   6.822 -10.943
  287    HG1  THR  36           HG1      THR  36   1.357   5.405 -12.067
  288   1HG2  THR  36           HMG      THR  36   2.379   6.654  -8.580
  289   2HG2  THR  36           HMG      THR  36   3.299   5.321  -9.321
  290   3HG2  THR  36           HMG      THR  36   3.382   6.957 -10.024
  291    H    LEU  37           HN       LEU  37   0.884   5.335  -7.159
  292    HA   LEU  37           HA       LEU  37  -1.374   7.002  -6.393
  293   1HB   LEU  37           HBS      LEU  37   0.642   5.423  -4.766
  294   2HB   LEU  37           HBR      LEU  37  -0.893   6.119  -4.171
  295    HG   LEU  37           HG       LEU  37  -0.887   4.096  -6.392
  296   1HD1  LEU  37           HMD      LEU  37  -0.829   3.542  -3.408
  297   2HD1  LEU  37           HMD      LEU  37  -1.210   2.349  -4.676
  298   3HD1  LEU  37           HMD      LEU  37   0.413   3.077  -4.598
  299   1HD2  LEU  37           HMD      LEU  37  -2.772   5.328  -4.427
  300   2HD2  LEU  37           HMD      LEU  37  -2.999   4.948  -6.153
  301   3HD2  LEU  37           HMD      LEU  37  -3.070   3.646  -4.937
  302    H    THR  38           HN       THR  38  -1.348   8.879  -5.266
  303    HA   THR  38           HA       THR  38   1.245  10.345  -5.270
  304    HB   THR  38           HB       THR  38  -1.620  11.421  -5.492
  305    HG1  THR  38           HG1      THR  38   0.684  11.637  -6.917
  306   1HG2  THR  38           HMG      THR  38   0.650  12.729  -4.326
  307   2HG2  THR  38           HMG      THR  38   0.216  13.537  -5.855
  308   3HG2  THR  38           HMG      THR  38  -1.009  13.331  -4.576
  309    H    SER  39           HN       SER  39   1.835  11.385  -3.402
  310    HA   SER  39           HA       SER  39   1.888  11.999  -1.205
  311   1HB   SER  39           HBS      SER  39  -1.096  12.173  -1.711
  312   2HB   SER  39           HBR      SER  39  -0.179  13.039  -0.444
  313    HG   SER  39           HG       SER  39   0.876  14.273  -1.850
  314    H    GLY  40           HN       GLY  40  -0.209  11.700   0.760
  315   1HA   GLY  40           HAR      GLY  40  -0.323   8.751   1.212
  316   2HA   GLY  40           HAS      GLY  40  -0.732  10.004   2.420
  317    H    GLY  41           HN       GLY  41  -1.560   9.596  -1.037
  318   1HA   GLY  41           HAR      GLY  41  -4.450   9.520  -0.319
  319   2HA   GLY  41           HAS      GLY  41  -3.788   9.884  -1.935
  320    H    HIS  42           HN       HIS  42  -1.954   7.394  -0.739
  321    HA   HIS  42           HA       HIS  42  -3.780   5.296  -1.680
  322   1HB   HIS  42           HBS      HIS  42  -1.826   3.887  -1.847
  323   2HB   HIS  42           HBR      HIS  42  -1.471   5.477  -2.590
  324    HD1  HIS  42           HD1      HIS  42   0.038   3.074  -0.319
  325    HD2  HIS  42           HD2      HIS  42   0.004   7.218  -0.748
  326    HE1  HIS  42           HE1      HIS  42   2.092   3.921   0.839
  327    HE2  HIS  42           HE2      HIS  42   2.095   6.425   0.556
  328    H    ALA  43           HN       ALA  43  -2.801   3.085  -0.469
  329    HA   ALA  43           HA       ALA  43  -2.027   3.369   2.204
  330   1HB   ALA  43           HMB      ALA  43  -4.915   2.522   1.870
  331   2HB   ALA  43           HMB      ALA  43  -3.949   2.251   3.342
  332   3HB   ALA  43           HMB      ALA  43  -4.280   3.912   2.785
  333    H    GLU  44           HN       GLU  44  -1.664   1.287   3.249
  334    HA   GLU  44           HA       GLU  44  -1.147  -0.760   1.132
  335   1HB   GLU  44           HBS      GLU  44   0.966  -1.001   2.071
  336   2HB   GLU  44           HBR      GLU  44   0.765   0.608   1.642
  337   1HG   GLU  44           HGR      GLU  44   1.610   1.040   3.817
  338   2HG   GLU  44           HGS      GLU  44  -0.062   0.625   4.279
  339    H    HIS  45           HN       HIS  45  -1.926  -2.687   1.537
  340    HA   HIS  45           HA       HIS  45  -2.201  -3.634   4.341
  341   1HB   HIS  45           HBS      HIS  45  -4.165  -4.138   2.898
  342   2HB   HIS  45           HBR      HIS  45  -3.093  -5.026   1.775
  343    HD1  HIS  45           HD1      HIS  45  -4.687  -5.326   5.214
  344    HD2  HIS  45           HD2      HIS  45  -2.495  -7.568   2.473
  345    HE1  HIS  45           HE1      HIS  45  -4.784  -7.702   6.006
  346    HE2  HIS  45           HE2      HIS  45  -3.429  -9.058   4.372
  347    H    GLU  46           HN       GLU  46  -0.252  -4.176   5.031
  348    HA   GLU  46           HA       GLU  46   1.654  -5.417   5.314
  349   1HB   GLU  46           HBS      GLU  46  -0.352  -6.967   4.695
  350   2HB   GLU  46           HBR      GLU  46   0.493  -7.310   3.287
  351   1HG   GLU  46           HGS      GLU  46   1.156  -7.852   6.173
  352   2HG   GLU  46           HGR      GLU  46   1.202  -9.053   4.852
  353    H    GLY  47           HN       GLY  47   1.923  -3.338   3.517
  354   1HA   GLY  47           HAR      GLY  47   3.603  -2.567   2.119
  355   2HA   GLY  47           HAS      GLY  47   4.210  -4.236   1.976
  356    H    LYS  48           HN       LYS  48   0.844  -3.805   1.386
  357    HA   LYS  48           HA       LYS  48   1.289  -3.720  -1.564
  358   1HB   LYS  48           HBS      LYS  48  -1.146  -4.777  -0.099
  359   2HB   LYS  48           HBR      LYS  48  -0.736  -4.943  -1.829
  360   1HG   LYS  48           HGR      LYS  48   1.230  -6.347  -1.171
  361   2HG   LYS  48           HGS      LYS  48   0.667  -6.266   0.523
  362   1HD   LYS  48           HDS      LYS  48  -1.481  -7.277  -0.183
  363   2HD   LYS  48           HDR      LYS  48  -0.851  -7.427  -1.800
  364   1HE   LYS  48           HER      LYS  48  -0.749  -9.502  -0.452
  365   2HE   LYS  48           HES      LYS  48   0.810  -8.986  -1.153
  366   1HZ   LYS  48           HZA      LYS  48   1.327  -8.008   0.996
  367   2HZ   LYS  48           HZB      LYS  48  -0.069  -8.580   1.623
  368   3HZ   LYS  48           HZC      LYS  48   1.084  -9.619   1.114
  369    HA   PRO  49           HA       PRO  49  -0.710   0.241  -0.672
  370   1HB   PRO  49           HBR      PRO  49   0.518   1.491  -2.696
  371   2HB   PRO  49           HBS      PRO  49   1.014   1.532  -1.130
  372   1HG   PRO  49           HGS      PRO  49   2.141   0.139  -3.267
  373   2HG   PRO  49           HGR      PRO  49   2.848   0.565  -1.819
  374   1HD   PRO  49           HDS      PRO  49   2.002  -1.905  -2.471
  375   2HD   PRO  49           HDR      PRO  49   2.405  -1.399  -0.950
  376    H    TYR  50           HN       TYR  50  -2.387   1.356  -1.532
  377    HA   TYR  50           HA       TYR  50  -3.053   0.932  -4.315
  378   1HB   TYR  50           HBR      TYR  50  -5.060   0.008  -2.223
  379   2HB   TYR  50           HBS      TYR  50  -5.287   0.050  -3.995
  380    HD1  TYR  50           HD1      TYR  50  -3.260  -1.596  -1.306
  381    HD2  TYR  50           HD2      TYR  50  -4.872  -1.859  -5.233
  382    HE1  TYR  50           HE1      TYR  50  -2.664  -3.979  -1.385
  383    HE2  TYR  50           HE2      TYR  50  -4.331  -4.252  -5.304
  384    HH   TYR  50           HH       TYR  50  -2.066  -5.597  -3.546
  385    H    CYS  51           HN       CYS  51  -5.351   2.036  -4.642
  386    HA   CYS  51           HA       CYS  51  -5.649   4.589  -3.647
  387   1HB   CYS  51           HBS      CYS  51  -7.846   2.608  -4.298
  388   2HB   CYS  51           HBR      CYS  51  -8.090   4.355  -4.016
  389    H    ASN  52           HN       ASN  52  -6.082   5.529  -1.816
  390    HA   ASN  52           HA       ASN  52  -6.922   4.213   0.581
  391   1HB   ASN  52           HBR      ASN  52  -6.050   6.765  -0.100
  392   2HB   ASN  52           HBS      ASN  52  -7.729   6.983   0.472
  393   1HD2  ASN  52           HD2      ASN  52  -6.553   5.019   3.565
  394   2HD2  ASN  52           HD2      ASN  52  -7.564   4.588   2.225
  395    H    HIS  53           HN       HIS  53  -8.562   5.440  -2.237
  396    HA   HIS  53           HA       HIS  53 -10.744   3.635  -1.698
  397   1HB   HIS  53           HBS      HIS  53 -11.228   6.612  -1.414
  398   2HB   HIS  53           HBR      HIS  53 -12.475   5.555  -2.135
  399    HD1  HIS  53           HD1      HIS  53 -13.775   3.987  -0.512
  400    HD2  HIS  53           HD2      HIS  53 -10.825   6.299   1.305
  401    HE1  HIS  53           HE1      HIS  53 -14.255   3.939   1.948
  402    HE2  HIS  53           HE2      HIS  53 -12.470   5.331   3.053
  403    HA   PRO  54           HA       PRO  54 -12.668   3.480  -2.391
  404   1HB   PRO  54           HBR      PRO  54 -13.952   1.893  -4.104
  405   2HB   PRO  54           HBS      PRO  54 -14.483   3.380  -3.644
  406   1HG   PRO  54           HGR      PRO  54 -13.501   2.628  -6.120
  407   2HG   PRO  54           HGS      PRO  54 -14.256   4.051  -5.686
  408   1HD   PRO  54           HDS      PRO  54 -11.557   3.631  -6.080
  409   2HD   PRO  54           HDR      PRO  54 -12.316   5.057  -5.730
  410    H    CYS  55           HN       CYS  55 -10.279   2.285  -4.295
  411    HA   CYS  55           HA       CYS  55 -10.889  -0.384  -4.433
  412   1HB   CYS  55           HBS      CYS  55  -8.115   0.832  -4.397
  413   2HB   CYS  55           HBR      CYS  55  -8.556  -0.786  -5.014
  414    H    TYR  56           HN       TYR  56  -8.962   1.247  -1.926
  415    HA   TYR  56           HA       TYR  56  -8.180  -1.102  -0.498
  416   1HB   TYR  56           HBR      TYR  56  -7.066   1.028  -0.144
  417   2HB   TYR  56           HBS      TYR  56  -8.583   1.760   0.450
  418    HD1  TYR  56           HD2      TYR  56  -6.487  -1.265   1.197
  419    HD2  TYR  56           HD1      TYR  56  -8.757   1.967   2.772
  420    HE1  TYR  56           HE2      TYR  56  -5.865  -1.948   3.471
  421    HE2  TYR  56           HE1      TYR  56  -8.168   1.276   5.055
  422    HH   TYR  56           HH       TYR  56  -5.531  -0.342   5.721
  423    H    SER  57           HN       SER  57 -10.864   1.221  -0.009
  424    HA   SER  57           HA       SER  57 -11.778  -0.199   2.314
  425   1HB   SER  57           HBS      SER  57 -12.374   2.314   0.949
  426   2HB   SER  57           HBR      SER  57 -13.822   1.527   1.638
  427    HG   SER  57           HG       SER  57 -12.521   1.164   3.605
  428    H    ALA  58           HN       ALA  58 -12.416  -0.431  -1.059
  429    HA   ALA  58           HA       ALA  58 -15.004  -1.681  -0.774
  430   1HB   ALA  58           HMB      ALA  58 -13.077  -1.361  -3.084
  431   2HB   ALA  58           HMB      ALA  58 -14.665  -2.158  -3.219
  432   3HB   ALA  58           HMB      ALA  58 -14.566  -0.442  -2.751
  433    H    MET  59           HN       MET  59 -11.699  -2.816  -1.508
  434    HA   MET  59           HA       MET  59 -12.711  -5.594  -1.523
  435   1HB   MET  59           HBS      MET  59 -10.751  -4.074  -3.057
  436   2HB   MET  59           HBR      MET  59 -10.084  -5.609  -2.445
  437   1HG   MET  59           HGS      MET  59 -12.812  -5.488  -3.797
  438   2HG   MET  59           HGR      MET  59 -11.313  -5.601  -4.748
  439   1HE   MET  59           HME      MET  59  -9.588  -7.123  -4.429
  440   2HE   MET  59           HME      MET  59  -9.618  -8.742  -3.687
  441   3HE   MET  59           HME      MET  59 -10.429  -8.462  -5.248
  442    H    PHE  60           HN       PHE  60 -10.396  -3.446   0.029
  443    HA   PHE  60           HA       PHE  60  -9.257  -5.744   1.515
  444   1HB   PHE  60           HBR      PHE  60  -8.079  -3.351   0.310
  445   2HB   PHE  60           HBS      PHE  60  -7.652  -3.506   2.038
  446    HD1  PHE  60           HD2      PHE  60  -6.797  -5.968   2.743
  447    HD2  PHE  60           HD1      PHE  60  -6.955  -4.476  -1.246
  448    HE1  PHE  60           HE2      PHE  60  -5.080  -7.615   2.064
  449    HE2  PHE  60           HE1      PHE  60  -5.252  -6.097  -1.942
  450    HZ   PHE  60           HZ       PHE  60  -4.269  -7.627  -0.277
  451    H    GLY  61           HN       GLY  61 -10.489  -6.008   3.269
  452   1HA   GLY  61           HAS      GLY  61  -9.815  -4.812   5.615
  453   2HA   GLY  61           HAR      GLY  61 -11.192  -3.811   5.072
  454    HA   PRO  62           HA       PRO  62 -12.679  -8.382   5.979
  455   1HB   PRO  62           HBS      PRO  62 -10.804  -9.482   7.664
  456   2HB   PRO  62           HBR      PRO  62 -11.312 -10.088   6.225
  457   1HG   PRO  62           HGS      PRO  62  -8.889  -9.068   6.761
  458   2HG   PRO  62           HGR      PRO  62  -9.467  -9.441   5.242
  459   1HD   PRO  62           HDS      PRO  62  -9.183  -6.913   6.429
  460   2HD   PRO  62           HDR      PRO  62  -9.361  -7.283   4.827
  461    H    LYS  63           HN       LYS  63 -11.246  -6.049   7.858
  462    HA   LYS  63           HA       LYS  63 -12.074  -4.878   9.658
  463   1HB   LYS  63           HBS      LYS  63 -14.493  -6.683   9.737
  464   2HB   LYS  63           HBR      LYS  63 -14.308  -5.009  10.335
  465   1HG   LYS  63           HGR      LYS  63 -14.511  -5.949   7.451
  466   2HG   LYS  63           HGS      LYS  63 -15.667  -4.930   8.358
  467   1HD   LYS  63           HDS      LYS  63 -12.910  -4.192   7.391
  468   2HD   LYS  63           HDR      LYS  63 -14.447  -3.577   6.845
  469   1HE   LYS  63           HES      LYS  63 -14.527  -2.024   8.415
  470   2HE   LYS  63           HER      LYS  63 -14.168  -3.221   9.692
  471   1HZ   LYS  63           HZA      LYS  63 -12.075  -2.175   7.934
  472   2HZ   LYS  63           HZB      LYS  63 -12.505  -1.396   9.303
  473   3HZ   LYS  63           HZC      LYS  63 -11.912  -2.915   9.380
  474    H    GLY  64           HN       GLY  64 -10.572  -5.492  11.100
  475   1HA   GLY  64           HAR      GLY  64 -10.965  -7.077  13.348
  476   2HA   GLY  64           HAS      GLY  64 -10.387  -8.199  12.087
  477    H    PHE  65           HN       PHE  65  -9.457  -6.167  14.540
  478    HA   PHE  65           HA       PHE  65  -6.892  -5.239  13.597
  479   1HB   PHE  65           HBR      PHE  65  -7.720  -5.922  16.452
  480   2HB   PHE  65           HBS      PHE  65  -6.272  -5.005  15.943
  481    HD1  PHE  65           HD2      PHE  65  -7.006  -2.896  14.260
  482    HD2  PHE  65           HD1      PHE  65  -9.353  -4.724  17.311
  483    HE1  PHE  65           HE2      PHE  65  -8.412  -0.865  14.388
  484    HE2  PHE  65           HE1      PHE  65 -10.764  -2.723  17.455
  485    HZ   PHE  65           HZ       PHE  65 -10.334  -0.814  15.952
  486    H    GLY  66           HN       GLY  66  -5.081  -6.220  15.356
  487   1HA   GLY  66           HAR      GLY  66  -4.100  -8.361  13.853
  488   2HA   GLY  66           HAS      GLY  66  -3.457  -7.851  15.436
  489    H    ARG  67           HN       ARG  67  -4.348 -10.483  13.900
  490    HA   ARG  67           HA       ARG  67  -6.534 -11.606  15.222
  491   1HB   ARG  67           HBS      ARG  67  -5.277 -13.839  14.594
  492   2HB   ARG  67           HBR      ARG  67  -6.018 -12.789  13.353
  493   1HG   ARG  67           HGS      ARG  67  -3.164 -12.268  14.020
  494   2HG   ARG  67           HGR      ARG  67  -3.526 -13.790  13.157
  495   1HD   ARG  67           HDS      ARG  67  -5.032 -12.090  11.737
  496   2HD   ARG  67           HDR      ARG  67  -3.746 -10.975  12.277
  497    HE   ARG  67           HE       ARG  67  -2.638 -13.410  11.241
  498   1HH1  ARG  67           HH1      ARG  67  -4.363 -10.552  10.110
  499   2HH1  ARG  67           HH1      ARG  67  -3.479 -10.472   8.624
  500   1HH2  ARG  67           HH2      ARG  67  -1.414 -13.198   9.345
  501   2HH2  ARG  67           HH2      ARG  67  -1.811 -11.971   8.188
  502    H    GLY  68           HN       GLY  68  -6.391 -13.694  16.516
  503   1HA   GLY  68           HAR      GLY  68  -5.263 -14.826  18.414
  504   2HA   GLY  68           HAS      GLY  68  -4.540 -13.247  18.821
  505    H    GLY  69           HN       GLY  69  -6.287 -11.433  18.988
  506   1HA   GLY  69           HAS      GLY  69  -8.132 -10.524  20.022
  507   2HA   GLY  69           HAR      GLY  69  -8.990 -11.977  19.443
  508    H    ALA  70           HN       ALA  70  -7.056 -10.611  22.078
  509    HA   ALA  70           HA       ALA  70  -8.269 -12.506  24.007
  510   1HB   ALA  70           HMB      ALA  70  -5.918 -13.138  22.851
  511   2HB   ALA  70           HMB      ALA  70  -5.337 -12.133  24.204
  512   3HB   ALA  70           HMB      ALA  70  -6.352 -13.562  24.526
  513    H    GLU  71           HN       GLU  71  -6.437 -11.873  26.071
  514    HA   GLU  71           HA       GLU  71  -6.452 -10.498  27.900
  515   1HB   GLU  71           HBR      GLU  71  -6.498  -8.446  25.684
  516   2HB   GLU  71           HBS      GLU  71  -6.595  -8.026  27.306
  517   1HG   GLU  71           HGS      GLU  71  -4.515  -9.213  27.858
  518   2HG   GLU  71           HGR      GLU  71  -4.219  -9.538  26.130
  519    H    SER  72           HN       SER  72  -8.424  -8.328  25.900
  520    HA   SER  72           HA       SER  72 -10.541  -7.510  26.178
  521   1HB   SER  72           HBS      SER  72 -11.088 -10.011  27.797
  522   2HB   SER  72           HBR      SER  72 -12.297  -8.831  27.212
  523    HG   SER  72           HG       SER  72 -11.575 -11.038  26.090
  524    H    HIS  73           HN       HIS  73 -10.098  -9.237  29.274
  525    HA   HIS  73           HA       HIS  73 -11.188  -7.154  30.778
  526   1HB   HIS  73           HBR      HIS  73  -9.476  -9.525  31.563
  527   2HB   HIS  73           HBS      HIS  73  -9.928  -8.281  32.765
  528    HD1  HIS  73           HD1      HIS  73 -11.974 -10.123  30.044
  529    HD2  HIS  73           HD2      HIS  73 -12.045  -9.213  34.108
  530    HE1  HIS  73           HE1      HIS  73 -14.046 -11.188  30.971
  531    HE2  HIS  73           HE2      HIS  73 -14.082 -10.659  33.434
  532    H    THR  74           HN       THR  74 -10.478  -5.341  31.621
  533    HA   THR  74           HA       THR  74  -9.117  -3.716  32.453
  534    HB   THR  74           HB       THR  74  -6.733  -5.593  32.539
  535    HG1  THR  74           HG1      THR  74  -7.551  -6.829  33.560
  536   1HG2  THR  74           HMG      THR  74  -6.925  -3.193  33.574
  537   2HG2  THR  74           HMG      THR  74  -7.806  -4.044  34.869
  538   3HG2  THR  74           HMG      THR  74  -6.131  -4.508  34.477
  539    H    PHE  75           HN       PHE  75  -9.088  -2.421  30.676
  540    HA   PHE  75           HA       PHE  75  -6.583  -2.488  29.120
  541   1HB   PHE  75           HBR      PHE  75  -7.684  -1.823  27.034
  542   2HB   PHE  75           HBS      PHE  75  -8.224  -3.447  27.551
  543    HD1  PHE  75           HD1      PHE  75 -10.256  -3.311  29.237
  544    HD2  PHE  75           HD2      PHE  75  -9.460  -0.494  26.139
  545    HE1  PHE  75           HE1      PHE  75 -12.613  -2.633  29.277
  546    HE2  PHE  75           HE2      PHE  75 -11.833   0.204  26.158
  547    HZ   PHE  75           HZ       PHE  75 -13.392  -0.834  27.780
  548    H    LYS  76           HN       LYS  76  -5.594  -0.672  29.484
  549    HA   LYS  76           HA       LYS  76  -7.173   1.624  30.496
  550   1HB   LYS  76           HBR      LYS  76  -4.192   1.135  30.737
  551   2HB   LYS  76           HBS      LYS  76  -5.186   2.337  31.608
  552   1HG   LYS  76           HGR      LYS  76  -6.244   0.648  32.918
  553   2HG   LYS  76           HGS      LYS  76  -5.592  -0.659  31.890
  554   1HD   LYS  76           HDS      LYS  76  -4.409  -0.580  33.980
  555   2HD   LYS  76           HDR      LYS  76  -3.371  -0.234  32.624
  556   1HE   LYS  76           HES      LYS  76  -4.487   2.210  33.704
  557   2HE   LYS  76           HER      LYS  76  -3.620   1.251  34.938
  558   1HZ   LYS  76           HZC      LYS  76  -2.362   1.604  32.354
  559   2HZ   LYS  76           HZA      LYS  76  -2.379   2.885  33.367
  560   3HZ   LYS  76           HZB      LYS  76  -1.686   1.483  33.835
   
  No H/Q in entry =         560
  Start of MODEL    8
    1    H    PRO   1           HN       PRO   1  15.971   4.173   3.737
    2    HA   PRO   1           HA       PRO   1  15.758   2.120   4.962
    3   1HB   PRO   1           HBS      PRO   1  12.943   2.248   5.027
    4   2HB   PRO   1           HBR      PRO   1  13.963   1.765   6.219
    5   1HG   PRO   1           HGR      PRO   1  12.652   4.084   6.168
    6   2HG   PRO   1           HGS      PRO   1  13.974   3.751   7.128
    7   1HD   PRO   1           HDR      PRO   1  13.845   5.425   4.915
    8   2HD   PRO   1           HDS      PRO   1  15.091   5.254   5.989
    9    H    LYS   2           HN       LYS   2  13.583   0.441   4.257
   10    HA   LYS   2           HA       LYS   2  14.372   0.125   1.397
   11   1HB   LYS   2           HBS      LYS   2  13.653  -2.208   3.132
   12   2HB   LYS   2           HBR      LYS   2  14.749  -2.107   1.726
   13   1HG   LYS   2           HGR      LYS   2  16.196  -0.615   3.362
   14   2HG   LYS   2           HGS      LYS   2  15.270  -1.481   4.622
   15   1HD   LYS   2           HDR      LYS   2  16.916  -2.757   2.449
   16   2HD   LYS   2           HDS      LYS   2  17.448  -2.515   4.091
   17   1HE   LYS   2           HES      LYS   2  16.673  -4.591   4.436
   18   2HE   LYS   2           HER      LYS   2  15.064  -3.814   4.452
   19   1HZ   LYS   2           HZA      LYS   2  15.996  -4.385   1.835
   20   2HZ   LYS   2           HZB      LYS   2  15.870  -5.735   2.747
   21   3HZ   LYS   2           HZC      LYS   2  14.572  -4.764   2.539
   22    H    CYS   3           HN       CYS   3  12.927  -1.038   0.045
   23    HA   CYS   3           HA       CYS   3  10.354   0.049   0.367
   24   1HB   CYS   3           HBS      CYS   3  11.724  -0.098  -1.714
   25   2HB   CYS   3           HBR      CYS   3  11.336  -1.841  -1.776
   26    HA   PRO   4           HA       PRO   4   8.183  -3.496   1.996
   27   1HB   PRO   4           HBR      PRO   4   5.825  -2.134   1.854
   28   2HB   PRO   4           HBS      PRO   4   6.710  -2.405   3.209
   29   1HG   PRO   4           HGS      PRO   4   6.302  -0.024   2.060
   30   2HG   PRO   4           HGR      PRO   4   7.406  -0.341   3.270
   31   1HD   PRO   4           HDS      PRO   4   7.864  -0.060   0.489
   32   2HD   PRO   4           HDR      PRO   4   8.912   0.220   1.740
   33    H    LYS   5           HN       LYS   5   7.800  -1.855  -0.907
   34    HA   LYS   5           HA       LYS   5   5.576  -3.462  -1.915
   35   1HB   LYS   5           HBR      LYS   5   6.614  -1.005  -2.590
   36   2HB   LYS   5           HBS      LYS   5   7.264  -2.061  -3.874
   37   1HG   LYS   5           HGR      LYS   5   4.337  -2.189  -3.161
   38   2HG   LYS   5           HGS      LYS   5   4.947  -0.866  -4.195
   39   1HD   LYS   5           HDS      LYS   5   4.207  -2.500  -5.676
   40   2HD   LYS   5           HDR      LYS   5   5.949  -2.555  -5.686
   41   1HE   LYS   5           HES      LYS   5   6.058  -4.643  -4.906
   42   2HE   LYS   5           HER      LYS   5   4.732  -4.367  -3.741
   43   1HZ   LYS   5           HZA      LYS   5   3.595  -4.298  -6.217
   44   2HZ   LYS   5           HZB      LYS   5   4.631  -5.559  -6.283
   45   3HZ   LYS   5           HZC      LYS   5   3.483  -5.506  -5.123
   46    H    CYS   6           HN       CYS   6   8.921  -2.949  -3.107
   47    HA   CYS   6           HA       CYS   6   8.619  -5.489  -4.567
   48   1HB   CYS   6           HBS      CYS   6  10.473  -4.722  -5.941
   49   2HB   CYS   6           HBR      CYS   6   9.116  -3.565  -5.895
   50    H    ASP   7           HN       ASP   7  10.202  -4.244  -1.815
   51    HA   ASP   7           HA       ASP   7  11.815  -5.004  -0.426
   52   1HB   ASP   7           HBS      ASP   7  10.589  -7.232  -1.030
   53   2HB   ASP   7           HBR      ASP   7  12.122  -7.590  -1.876
   54    H    LYS   8           HN       LYS   8  12.610  -3.246  -2.162
   55    HA   LYS   8           HA       LYS   8  15.428  -4.151  -2.524
   56   1HB   LYS   8           HBR      LYS   8  13.784  -2.330  -4.162
   57   2HB   LYS   8           HBS      LYS   8  15.355  -1.652  -3.649
   58   1HG   LYS   8           HGS      LYS   8  16.182  -4.078  -4.495
   59   2HG   LYS   8           HGR      LYS   8  14.744  -3.880  -5.538
   60   1HD   LYS   8           HDS      LYS   8  16.648  -3.071  -6.714
   61   2HD   LYS   8           HDR      LYS   8  15.630  -1.724  -6.286
   62   1HE   LYS   8           HES      LYS   8  17.321  -1.815  -4.137
   63   2HE   LYS   8           HER      LYS   8  18.367  -2.315  -5.496
   64   1HZ   LYS   8           HZC      LYS   8  16.654  -0.042  -5.948
   65   2HZ   LYS   8           HZA      LYS   8  17.890   0.190  -4.906
   66   3HZ   LYS   8           HZB      LYS   8  18.192  -0.307  -6.432
   67    H    GLU   9           HN       GLU   9  16.671  -1.759  -2.370
   68    HA   GLU   9           HA       GLU   9  15.658  -0.426   0.108
   69   1HB   GLU   9           HBR      GLU   9  18.383   0.177  -0.820
   70   2HB   GLU   9           HBS      GLU   9  17.716   0.109   0.712
   71   1HG   GLU   9           HGS      GLU   9  18.872  -1.721   1.072
   72   2HG   GLU   9           HGR      GLU   9  17.591  -2.586   0.182
   73    H    VAL  10           HN       VAL  10  15.683   1.856   0.079
   74    HA   VAL  10           HA       VAL  10  15.019   2.728  -2.668
   75    HB   VAL  10           HB       VAL  10  13.818   3.287   0.042
   76   1HG1  VAL  10           HMG      VAL  10  13.869   5.388  -1.370
   77   2HG1  VAL  10           HMG      VAL  10  12.803   4.539  -2.515
   78   3HG1  VAL  10           HMG      VAL  10  12.264   4.828  -0.843
   79   1HG2  VAL  10           HMG      VAL  10  13.370   1.258  -1.713
   80   2HG2  VAL  10           HMG      VAL  10  12.213   1.850  -0.501
   81   3HG2  VAL  10           HMG      VAL  10  12.108   2.430  -2.179
   82    H    TYR  11           HN       TYR  11  16.140   4.230  -3.595
   83    HA   TYR  11           HA       TYR  11  18.192   5.709  -2.072
   84   1HB   TYR  11           HBS      TYR  11  18.556   4.598  -4.379
   85   2HB   TYR  11           HBR      TYR  11  17.620   5.974  -5.029
   86    HD1  TYR  11           HD2      TYR  11  20.191   5.833  -2.316
   87    HD2  TYR  11           HD1      TYR  11  19.172   7.347  -6.157
   88    HE1  TYR  11           HE2      TYR  11  22.284   7.112  -2.357
   89    HE2  TYR  11           HE1      TYR  11  21.251   8.657  -6.199
   90    HH   TYR  11           HH       TYR  11  23.231   8.929  -3.269
   91    H    PHE  12           HN       PHE  12  18.349   8.027  -2.342
   92    HA   PHE  12           HA       PHE  12  16.169   9.015  -1.068
   93   1HB   PHE  12           HBR      PHE  12  18.344  10.615  -2.473
   94   2HB   PHE  12           HBS      PHE  12  17.106  11.342  -1.407
   95    HD1  PHE  12           HD2      PHE  12  17.055  10.535   1.072
   96    HD2  PHE  12           HD1      PHE  12  20.222   9.705  -1.656
   97    HE1  PHE  12           HE2      PHE  12  18.531   9.958   2.971
   98    HE2  PHE  12           HE1      PHE  12  21.705   9.123   0.211
   99    HZ   PHE  12           HZ       PHE  12  20.845   9.193   2.521
  100    H    ALA  13           HN       ALA  13  17.153  10.507  -4.167
  101    HA   ALA  13           HA       ALA  13  14.753  11.673  -4.605
  102   1HB   ALA  13           HMB      ALA  13  17.123  11.000  -6.263
  103   2HB   ALA  13           HMB      ALA  13  15.658  11.476  -7.158
  104   3HB   ALA  13           HMB      ALA  13  16.361  12.579  -5.949
  105    H    GLU  14           HN       GLU  14  15.241   8.394  -4.850
  106    HA   GLU  14           HA       GLU  14  13.004   7.988  -6.731
  107   1HB   GLU  14           HBS      GLU  14  14.758   6.128  -5.181
  108   2HB   GLU  14           HBR      GLU  14  13.638   5.595  -6.313
  109   1HG   GLU  14           HGR      GLU  14  15.117   7.356  -7.895
  110   2HG   GLU  14           HGS      GLU  14  16.289   6.938  -6.615
  111    H    ARG  15           HN       ARG  15  12.889   9.064  -3.802
  112    HA   ARG  15           HA       ARG  15  11.670   6.787  -2.416
  113   1HB   ARG  15           HBR      ARG  15  12.006   7.980  -0.395
  114   2HB   ARG  15           HBS      ARG  15  13.483   8.168  -1.381
  115   1HG   ARG  15           HGR      ARG  15  12.487  10.439  -2.089
  116   2HG   ARG  15           HGS      ARG  15  11.371  10.221  -0.712
  117   1HD   ARG  15           HDS      ARG  15  13.708   9.632   0.475
  118   2HD   ARG  15           HDR      ARG  15  14.269  10.783  -0.770
  119    HE   ARG  15           HE       ARG  15  11.954  11.712   0.715
  120   1HH1  ARG  15           HH1      ARG  15  15.467  11.728   0.411
  121   2HH1  ARG  15           HH1      ARG  15  15.667  13.030   1.535
  122   1HH2  ARG  15           HH2      ARG  15  12.266  13.324   2.278
  123   2HH2  ARG  15           HH2      ARG  15  13.856  13.935   2.591
  124    H    VAL  16           HN       VAL  16   9.710   6.794  -1.369
  125    HA   VAL  16           HA       VAL  16   8.288   9.301  -1.135
  126    HB   VAL  16           HB       VAL  16   6.142   8.569  -1.887
  127   1HG1  VAL  16           HMG      VAL  16   8.253   8.101  -4.005
  128   2HG1  VAL  16           HMG      VAL  16   6.517   8.328  -4.328
  129   3HG1  VAL  16           HMG      VAL  16   7.462   9.639  -3.583
  130   1HG2  VAL  16           HMG      VAL  16   6.287   6.197  -1.354
  131   2HG2  VAL  16           HMG      VAL  16   5.741   6.452  -3.030
  132   3HG2  VAL  16           HMG      VAL  16   7.418   5.951  -2.707
  133    H    THR  17           HN       THR  17   6.664   9.222   0.537
  134    HA   THR  17           HA       THR  17   7.514   7.238   2.589
  135    HB   THR  17           HB       THR  17   6.524  10.028   3.301
  136    HG1  THR  17           HG1      THR  17   7.777  10.510   2.027
  137   1HG2  THR  17           HMG      THR  17   8.451   8.077   4.579
  138   2HG2  THR  17           HMG      THR  17   8.216   9.753   5.137
  139   3HG2  THR  17           HMG      THR  17   6.858   8.602   5.182
  140    H    SER  18           HN       SER  18   6.049   6.360   3.946
  141    HA   SER  18           HA       SER  18   3.402   7.106   4.277
  142   1HB   SER  18           HBR      SER  18   3.045   6.610   1.910
  143   2HB   SER  18           HBS      SER  18   3.643   4.946   2.166
  144    HG   SER  18           HG       SER  18   1.810   4.321   2.741
  145    H    LEU  19           HN       LEU  19   2.434   5.923   5.831
  146    HA   LEU  19           HA       LEU  19   2.469   4.720   7.773
  147   1HB   LEU  19           HBR      LEU  19   3.597   2.756   5.767
  148   2HB   LEU  19           HBS      LEU  19   3.201   2.315   7.452
  149    HG   LEU  19           HG       LEU  19   1.407   1.593   6.081
  150   1HD1  LEU  19           HMD      LEU  19   1.073   3.376   8.168
  151   2HD1  LEU  19           HMD      LEU  19   0.050   4.064   6.880
  152   3HD1  LEU  19           HMD      LEU  19  -0.206   2.386   7.422
  153   1HD2  LEU  19           HMD      LEU  19   2.071   3.136   4.193
  154   2HD2  LEU  19           HMD      LEU  19   0.317   2.969   4.465
  155   3HD2  LEU  19           HMD      LEU  19   1.173   4.426   5.033
  156    H    GLY  20           HN       GLY  20   4.906   6.315   6.806
  157   1HA   GLY  20           HAS      GLY  20   6.500   7.170   8.290
  158   2HA   GLY  20           HAR      GLY  20   6.425   5.656   9.232
  159    H    LYS  21           HN       LYS  21   6.638   4.276   6.437
  160    HA   LYS  21           HA       LYS  21   9.621   4.341   6.384
  161   1HB   LYS  21           HBS      LYS  21   8.001   1.978   5.449
  162   2HB   LYS  21           HBR      LYS  21   9.733   2.075   5.881
  163   1HG   LYS  21           HGR      LYS  21   7.372   2.189   7.801
  164   2HG   LYS  21           HGS      LYS  21   8.499   0.819   7.576
  165   1HD   LYS  21           HDS      LYS  21   9.864   1.637   9.077
  166   2HD   LYS  21           HDR      LYS  21  10.094   3.054   8.090
  167   1HE   LYS  21           HES      LYS  21   7.732   3.695   9.225
  168   2HE   LYS  21           HER      LYS  21   8.469   2.691  10.506
  169   1HZ   LYS  21           HZA      LYS  21  10.242   4.595   9.337
  170   2HZ   LYS  21           HZB      LYS  21   8.978   5.277  10.111
  171   3HZ   LYS  21           HZC      LYS  21   9.967   4.251  10.909
  172    H    ASP  22           HN       ASP  22  10.563   4.077   4.320
  173    HA   ASP  22           HA       ASP  22   9.052   5.643   2.427
  174   1HB   ASP  22           HBS      ASP  22  11.903   4.759   2.074
  175   2HB   ASP  22           HBR      ASP  22  11.074   6.207   1.437
  176    H    TRP  23           HN       TRP  23   9.352   5.264   0.055
  177    HA   TRP  23           HA       TRP  23   9.424   2.390  -0.697
  178   1HB   TRP  23           HBR      TRP  23   7.358   4.419  -1.559
  179   2HB   TRP  23           HBS      TRP  23   7.374   2.657  -1.890
  180    HD1  TRP  23           HD1      TRP  23   6.817   5.182   0.982
  181    HE1  TRP  23           HE1      TRP  23   5.174   4.142   2.667
  182    HE3  TRP  23           HE3      TRP  23   6.287   0.624  -1.210
  183    HZ2  TRP  23           HZ2      TRP  23   3.681   1.776   2.873
  184    HZ3  TRP  23           HZ3      TRP  23   4.692  -0.965  -0.242
  185    HH2  TRP  23           HH2      TRP  23   3.409  -0.410   1.756
  186    H    HIS  24           HN       ZHI  24   9.220   2.271  -3.198
  187    HA   HIS  24           HA       ZHI  24  10.909   4.309  -4.462
  188   1HB   HIS  24           HBS      ZHI  24   9.689   1.775  -5.650
  189   2HB   HIS  24           HBR      ZHI  24  10.826   2.884  -6.473
  190    HD2  HIS  24           HD2      ZHI  24  13.105   3.249  -4.313
  191    HE1  HIS  24           HE1      ZHI  24  12.861  -0.785  -3.248
  192    HE2  HIS  24           HE2      ZHI  24  14.396   1.204  -3.395
  193    H    ARG  25           HN       ARG  25  10.340   5.581  -6.180
  194    HA   ARG  25           HA       ARG  25   7.932   6.906  -5.757
  195   1HB   ARG  25           HBS      ARG  25   9.929   7.945  -6.778
  196   2HB   ARG  25           HBR      ARG  25   9.642   6.998  -8.266
  197   1HG   ARG  25           HGS      ARG  25   7.237   8.403  -7.627
  198   2HG   ARG  25           HGR      ARG  25   8.600   9.554  -7.533
  199   1HD   ARG  25           HDS      ARG  25   8.693   7.725  -9.822
  200   2HD   ARG  25           HDR      ARG  25   7.289   8.827  -9.806
  201    HE   ARG  25           HE       ARG  25   8.780  10.685  -9.905
  202   1HH1  ARG  25           HH1      ARG  25  10.559   7.646  -9.745
  203   2HH1  ARG  25           HH1      ARG  25  11.975   8.310 -10.488
  204   1HH2  ARG  25           HH2      ARG  25  10.601  11.485 -10.991
  205   2HH2  ARG  25           HH2      ARG  25  12.000  10.483 -11.192
  206    HA   PRO  26           HA       PRO  26   6.289   4.585  -9.660
  207   1HB   PRO  26           HBS      PRO  26   7.617   2.292 -10.163
  208   2HB   PRO  26           HBR      PRO  26   7.678   3.645 -11.090
  209   1HG   PRO  26           HGR      PRO  26   9.611   2.640  -9.334
  210   2HG   PRO  26           HGS      PRO  26   9.793   3.743 -10.574
  211   1HD   PRO  26           HDS      PRO  26   9.790   4.350  -7.961
  212   2HD   PRO  26           HDR      PRO  26   9.601   5.438  -9.192
  213    H    CYS  27           HN       CYS  27   7.574   2.801  -7.032
  214    HA   CYS  27           HA       CYS  27   5.949   0.556  -7.340
  215   1HB   CYS  27           HBS      CYS  27   7.680   1.663  -5.192
  216   2HB   CYS  27           HBR      CYS  27   6.485   0.424  -4.712
  217    H    LEU  28           HN       LEU  28   5.438   3.478  -5.395
  218    HA   LEU  28           HA       LEU  28   3.276   2.486  -3.832
  219   1HB   LEU  28           HBR      LEU  28   4.852   4.519  -3.557
  220   2HB   LEU  28           HBS      LEU  28   3.682   5.370  -4.605
  221    HG   LEU  28           HG       LEU  28   1.958   4.496  -2.803
  222   1HD1  LEU  28           HMD      LEU  28   4.463   3.751  -1.667
  223   2HD1  LEU  28           HMD      LEU  28   3.814   5.108  -0.713
  224   3HD1  LEU  28           HMD      LEU  28   2.838   3.637  -0.947
  225   1HD2  LEU  28           HMD      LEU  28   2.987   6.857  -3.516
  226   2HD2  LEU  28           HMD      LEU  28   1.910   6.672  -2.109
  227   3HD2  LEU  28           HMD      LEU  28   3.674   6.756  -1.874
  228    H    LYS  29           HN       LYS  29   1.945   1.354  -5.258
  229    HA   LYS  29           HA       LYS  29   0.270   2.956  -7.113
  230   1HB   LYS  29           HBR      LYS  29   2.477   1.967  -8.151
  231   2HB   LYS  29           HBS      LYS  29   1.563   0.431  -8.099
  232   1HG   LYS  29           HGR      LYS  29  -0.311   1.876  -9.283
  233   2HG   LYS  29           HGS      LYS  29   1.079   2.903  -9.741
  234   1HD   LYS  29           HDR      LYS  29   1.360  -0.007 -10.159
  235   2HD   LYS  29           HDS      LYS  29   0.196   0.795 -11.179
  236   1HE   LYS  29           HER      LYS  29   1.928   2.380 -11.900
  237   2HE   LYS  29           HES      LYS  29   3.113   1.544 -10.857
  238   1HZ   LYS  29           HZC      LYS  29   2.579  -0.469 -12.164
  239   2HZ   LYS  29           HZA      LYS  29   1.722   0.456 -13.202
  240   3HZ   LYS  29           HZB      LYS  29   3.327   0.703 -13.022
  241    H    CYS  30           HN       CYS  30  -1.720   2.158  -7.405
  242    HA   CYS  30           HA       CYS  30  -2.796   0.098  -5.840
  243   1HB   CYS  30           HBS      CYS  30  -3.895   2.031  -7.239
  244   2HB   CYS  30           HBR      CYS  30  -4.036   0.749  -8.474
  245    H    GLU  31           HN       GLU  31  -2.725  -1.995  -5.909
  246    HA   GLU  31           HA       GLU  31  -2.063  -3.403  -8.454
  247   1HB   GLU  31           HBR      GLU  31  -1.951  -4.036  -5.529
  248   2HB   GLU  31           HBS      GLU  31  -2.320  -5.276  -6.599
  249   1HG   GLU  31           HGS      GLU  31   0.131  -5.046  -6.027
  250   2HG   GLU  31           HGR      GLU  31  -0.241  -5.262  -7.757
  251    H    LYS  32           HN       LYS  32  -4.597  -1.943  -7.581
  252    HA   LYS  32           HA       LYS  32  -6.466  -4.242  -7.893
  253   1HB   LYS  32           HBS      LYS  32  -6.308  -2.327  -5.884
  254   2HB   LYS  32           HBR      LYS  32  -7.609  -1.723  -6.948
  255   1HG   LYS  32           HGS      LYS  32  -7.458  -4.426  -5.560
  256   2HG   LYS  32           HGR      LYS  32  -8.602  -3.092  -5.229
  257   1HD   LYS  32           HDS      LYS  32  -8.404  -4.708  -7.789
  258   2HD   LYS  32           HDR      LYS  32  -9.529  -5.007  -6.493
  259   1HE   LYS  32           HER      LYS  32 -10.746  -3.083  -6.869
  260   2HE   LYS  32           HES      LYS  32  -9.439  -2.318  -7.813
  261   1HZ   LYS  32           HZB      LYS  32 -10.046  -4.613  -9.132
  262   2HZ   LYS  32           HZC      LYS  32 -11.504  -4.023  -8.692
  263   3HZ   LYS  32           HZA      LYS  32 -10.482  -3.100  -9.569
  264    H    CYS  33           HN       CYS  33  -5.834  -0.850  -8.800
  265    HA   CYS  33           HA       CYS  33  -7.332  -1.436 -11.307
  266   1HB   CYS  33           HBS      CYS  33  -7.988   0.854 -11.453
  267   2HB   CYS  33           HBR      CYS  33  -8.511   0.132  -9.908
  268    H    GLY  34           HN       GLY  34  -4.323  -0.585  -9.924
  269   1HA   GLY  34           HAR      GLY  34  -2.272  -0.095 -10.859
  270   2HA   GLY  34           HAS      GLY  34  -3.011  -0.345 -12.463
  271    H    LYS  35           HN       LYS  35  -3.744   1.982  -9.840
  272    HA   LYS  35           HA       LYS  35  -3.019   4.223 -11.667
  273   1HB   LYS  35           HBR      LYS  35  -5.259   4.036 -10.165
  274   2HB   LYS  35           HBS      LYS  35  -4.152   4.786  -8.980
  275   1HG   LYS  35           HGR      LYS  35  -4.372   6.784  -9.955
  276   2HG   LYS  35           HGS      LYS  35  -3.911   6.110 -11.544
  277   1HD   LYS  35           HDS      LYS  35  -6.679   6.186 -10.341
  278   2HD   LYS  35           HDR      LYS  35  -6.061   7.194 -11.621
  279   1HE   LYS  35           HER      LYS  35  -5.609   5.063 -12.920
  280   2HE   LYS  35           HES      LYS  35  -6.650   4.251 -11.717
  281   1HZ   LYS  35           HZA      LYS  35  -8.344   5.921 -12.287
  282   2HZ   LYS  35           HZB      LYS  35  -7.399   6.457 -13.506
  283   3HZ   LYS  35           HZC      LYS  35  -7.970   4.928 -13.529
  284    H    THR  36           HN       THR  36  -1.106   5.091 -11.400
  285    HA   THR  36           HA       THR  36   0.681   4.578  -9.199
  286    HB   THR  36           HB       THR  36   0.670   6.796 -11.322
  287    HG1  THR  36           HG1      THR  36   1.663   5.649 -12.362
  288   1HG2  THR  36           HMG      THR  36   2.097   6.903  -8.983
  289   2HG2  THR  36           HMG      THR  36   3.240   6.100 -10.090
  290   3HG2  THR  36           HMG      THR  36   2.556   7.690 -10.514
  291    H    LEU  37           HN       LEU  37   1.026   5.682  -7.371
  292    HA   LEU  37           HA       LEU  37  -1.355   7.208  -6.520
  293   1HB   LEU  37           HBR      LEU  37   0.754   5.627  -5.016
  294   2HB   LEU  37           HBS      LEU  37  -0.651   6.443  -4.273
  295    HG   LEU  37           HG       LEU  37  -0.832   4.193  -6.292
  296   1HD1  LEU  37           HMD      LEU  37  -0.197   4.151  -3.491
  297   2HD1  LEU  37           HMD      LEU  37  -1.823   3.463  -3.737
  298   3HD1  LEU  37           HMD      LEU  37  -0.428   2.786  -4.613
  299   1HD2  LEU  37           HMD      LEU  37  -2.803   5.713  -4.567
  300   2HD2  LEU  37           HMD      LEU  37  -2.772   5.567  -6.343
  301   3HD2  LEU  37           HMD      LEU  37  -3.183   4.153  -5.337
  302    H    THR  38           HN       THR  38  -1.305   9.172  -5.645
  303    HA   THR  38           HA       THR  38   1.007  10.881  -5.630
  304    HB   THR  38           HB       THR  38  -1.704  11.042  -4.200
  305    HG1  THR  38           HG1      THR  38  -0.456  12.355  -6.224
  306   1HG2  THR  38           HMG      THR  38   0.416  13.203  -4.351
  307   2HG2  THR  38           HMG      THR  38  -1.249  13.400  -3.750
  308   3HG2  THR  38           HMG      THR  38  -0.113  12.332  -2.889
  309    H    SER  39           HN       SER  39   2.126  11.660  -3.792
  310    HA   SER  39           HA       SER  39   2.532   9.823  -1.549
  311   1HB   SER  39           HBR      SER  39   4.444  11.101  -2.070
  312   2HB   SER  39           HBS      SER  39   3.500  12.614  -2.182
  313    HG   SER  39           HG       SER  39   3.565  11.001   0.209
  314    H    GLY  40           HN       GLY  40   0.103   9.735  -1.423
  315   1HA   GLY  40           HAR      GLY  40  -1.336  10.884   0.555
  316   2HA   GLY  40           HAS      GLY  40  -1.240  12.216  -0.627
  317    H    GLY  41           HN       GLY  41  -3.612  10.856   0.198
  318   1HA   GLY  41           HAR      GLY  41  -5.527   9.963  -0.618
  319   2HA   GLY  41           HAS      GLY  41  -4.811  10.408  -2.188
  320    H    HIS  42           HN       HIS  42  -2.756   8.181  -0.832
  321    HA   HIS  42           HA       HIS  42  -4.204   5.876  -1.950
  322   1HB   HIS  42           HBS      HIS  42  -2.117   4.751  -2.104
  323   2HB   HIS  42           HBR      HIS  42  -1.862   6.424  -2.683
  324    HD1  HIS  42           HD1      HIS  42  -0.521   3.956  -0.270
  325    HD2  HIS  42           HD2      HIS  42  -0.358   8.061  -0.953
  326    HE1  HIS  42           HE1      HIS  42   1.427   4.815   1.052
  327    HE2  HIS  42           HE2      HIS  42   1.523   7.302   0.653
  328    H    ALA  43           HN       ALA  43  -2.970   3.796  -0.732
  329    HA   ALA  43           HA       ALA  43  -2.938   4.073   2.124
  330   1HB   ALA  43           HMB      ALA  43  -5.248   2.697   0.814
  331   2HB   ALA  43           HMB      ALA  43  -4.552   1.991   2.295
  332   3HB   ALA  43           HMB      ALA  43  -5.180   3.659   2.313
  333    H    GLU  44           HN       GLU  44  -2.891   1.483   2.892
  334    HA   GLU  44           HA       GLU  44  -1.487  -0.272   0.988
  335   1HB   GLU  44           HBR      GLU  44   0.074   1.550   1.775
  336   2HB   GLU  44           HBS      GLU  44  -0.227   1.057   3.350
  337   1HG   GLU  44           HGR      GLU  44   0.575  -1.363   2.078
  338   2HG   GLU  44           HGS      GLU  44   1.659  -0.064   1.512
  339    H    HIS  45           HN       HIS  45  -1.621  -2.335   1.591
  340    HA   HIS  45           HA       HIS  45  -2.222  -2.970   4.435
  341   1HB   HIS  45           HBS      HIS  45  -2.664  -5.273   3.803
  342   2HB   HIS  45           HBR      HIS  45  -3.709  -4.190   2.840
  343    HD1  HIS  45           HD1      HIS  45  -0.181  -5.671   2.267
  344    HD2  HIS  45           HD2      HIS  45  -3.914  -5.339   0.448
  345    HE1  HIS  45           HE1      HIS  45  -0.043  -6.965   0.124
  346    HE2  HIS  45           HE2      HIS  45  -2.354  -6.922  -0.882
  347    H    GLU  46           HN       GLU  46  -0.928  -4.876   5.222
  348    HA   GLU  46           HA       GLU  46   1.797  -4.259   5.147
  349   1HB   GLU  46           HBR      GLU  46   0.278  -5.576   6.793
  350   2HB   GLU  46           HBS      GLU  46   0.561  -6.895   5.795
  351   1HG   GLU  46           HGS      GLU  46   2.708  -5.387   7.258
  352   2HG   GLU  46           HGR      GLU  46   2.173  -7.038   7.672
  353    H    GLY  47           HN       GLY  47   2.521  -4.168   3.023
  354   1HA   GLY  47           HAR      GLY  47   3.811  -6.177   1.670
  355   2HA   GLY  47           HAS      GLY  47   2.102  -6.408   1.211
  356    H    LYS  48           HN       LYS  48   1.004  -4.109   0.789
  357    HA   LYS  48           HA       LYS  48   2.622  -2.594  -1.155
  358   1HB   LYS  48           HBR      LYS  48   0.220  -3.994  -2.250
  359   2HB   LYS  48           HBS      LYS  48   1.698  -3.422  -3.074
  360   1HG   LYS  48           HGR      LYS  48   2.925  -5.331  -2.464
  361   2HG   LYS  48           HGS      LYS  48   1.771  -5.775  -1.173
  362   1HD   LYS  48           HDS      LYS  48   0.117  -5.916  -3.259
  363   2HD   LYS  48           HDR      LYS  48   1.614  -6.197  -4.106
  364   1HE   LYS  48           HES      LYS  48   1.626  -7.807  -1.751
  365   2HE   LYS  48           HER      LYS  48   0.085  -8.031  -2.625
  366   1HZ   LYS  48           HZA      LYS  48   1.874  -8.082  -4.588
  367   2HZ   LYS  48           HZB      LYS  48   2.736  -8.781  -3.390
  368   3HZ   LYS  48           HZC      LYS  48   1.300  -9.414  -3.838
  369    HA   PRO  49           HA       PRO  49  -0.567   0.335  -0.433
  370   1HB   PRO  49           HBR      PRO  49   0.102   2.029  -2.384
  371   2HB   PRO  49           HBS      PRO  49   0.751   2.048  -0.875
  372   1HG   PRO  49           HGS      PRO  49   1.924   1.188  -3.255
  373   2HG   PRO  49           HGR      PRO  49   2.672   1.641  -1.835
  374   1HD   PRO  49           HDS      PRO  49   2.350  -0.893  -2.703
  375   2HD   PRO  49           HDR      PRO  49   2.834  -0.448  -1.185
  376    H    TYR  50           HN       TYR  50  -2.306   1.580  -1.495
  377    HA   TYR  50           HA       TYR  50  -2.921   0.820  -4.202
  378   1HB   TYR  50           HBR      TYR  50  -5.027   0.141  -2.120
  379   2HB   TYR  50           HBS      TYR  50  -5.111  -0.102  -3.887
  380    HD1  TYR  50           HD1      TYR  50  -3.429  -1.300  -0.776
  381    HD2  TYR  50           HD2      TYR  50  -4.401  -2.122  -4.832
  382    HE1  TYR  50           HE1      TYR  50  -2.540  -3.577  -0.520
  383    HE2  TYR  50           HE2      TYR  50  -3.562  -4.414  -4.578
  384    HH   TYR  50           HH       TYR  50  -1.543  -5.209  -1.894
  385    H    CYS  51           HN       CYS  51  -5.336   1.809  -4.594
  386    HA   CYS  51           HA       CYS  51  -5.592   4.503  -3.905
  387   1HB   CYS  51           HBS      CYS  51  -7.765   2.448  -4.365
  388   2HB   CYS  51           HBR      CYS  51  -8.043   4.204  -4.212
  389    H    ASN  52           HN       ASN  52  -6.088   5.625  -2.189
  390    HA   ASN  52           HA       ASN  52  -6.846   4.539   0.344
  391   1HB   ASN  52           HBR      ASN  52  -5.800   6.772  -0.028
  392   2HB   ASN  52           HBS      ASN  52  -7.380   7.339  -0.639
  393   1HD2  ASN  52           HD2      ASN  52  -6.631   7.557   3.240
  394   2HD2  ASN  52           HD2      ASN  52  -5.473   7.547   1.952
  395    H    HIS  53           HN       HIS  53  -8.632   5.669  -2.482
  396    HA   HIS  53           HA       HIS  53 -10.657   3.685  -1.864
  397   1HB   HIS  53           HBS      HIS  53 -11.413   6.633  -1.956
  398   2HB   HIS  53           HBR      HIS  53 -12.558   5.327  -2.377
  399    HD1  HIS  53           HD1      HIS  53 -13.863   4.365  -0.425
  400    HD2  HIS  53           HD2      HIS  53 -10.480   6.479   0.770
  401    HE1  HIS  53           HE1      HIS  53 -14.034   4.625   2.061
  402    HE2  HIS  53           HE2      HIS  53 -11.990   5.904   2.791
  403    HA   PRO  54           HA       PRO  54 -12.599   3.428  -2.575
  404   1HB   PRO  54           HBR      PRO  54 -13.806   1.676  -4.187
  405   2HB   PRO  54           HBS      PRO  54 -14.387   3.171  -3.838
  406   1HG   PRO  54           HGR      PRO  54 -13.360   2.282  -6.244
  407   2HG   PRO  54           HGS      PRO  54 -14.141   3.716  -5.915
  408   1HD   PRO  54           HDS      PRO  54 -11.429   3.313  -6.247
  409   2HD   PRO  54           HDR      PRO  54 -12.215   4.749  -6.017
  410    H    CYS  55           HN       CYS  55 -10.177   2.099  -4.377
  411    HA   CYS  55           HA       CYS  55 -10.748  -0.573  -4.251
  412   1HB   CYS  55           HBS      CYS  55  -7.985   0.663  -4.341
  413   2HB   CYS  55           HBR      CYS  55  -8.419  -1.007  -4.807
  414    H    TYR  56           HN       TYR  56  -8.865   1.320  -1.906
  415    HA   TYR  56           HA       TYR  56  -8.175  -0.867  -0.171
  416   1HB   TYR  56           HBR      TYR  56  -7.030   1.283  -0.034
  417   2HB   TYR  56           HBS      TYR  56  -8.560   2.095   0.410
  418    HD1  TYR  56           HD1      TYR  56  -9.699   1.246   2.617
  419    HD2  TYR  56           HD2      TYR  56  -5.646   0.419   1.633
  420    HE1  TYR  56           HE1      TYR  56  -9.229   0.773   4.982
  421    HE2  TYR  56           HE2      TYR  56  -5.154  -0.023   3.995
  422    HH   TYR  56           HH       TYR  56  -7.287   1.008   6.465
  423    H    SER  57           HN       SER  57 -10.751   1.628   0.003
  424    HA   SER  57           HA       SER  57 -11.922   0.591   2.325
  425   1HB   SER  57           HBS      SER  57 -12.403   2.817   1.744
  426   2HB   SER  57           HBR      SER  57 -13.044   2.355   0.141
  427    HG   SER  57           HG       SER  57 -14.173   2.489   2.688
  428    H    ALA  58           HN       ALA  58 -12.097  -0.525  -0.917
  429    HA   ALA  58           HA       ALA  58 -14.750  -1.742  -0.552
  430   1HB   ALA  58           HMB      ALA  58 -14.211  -0.386  -2.550
  431   2HB   ALA  58           HMB      ALA  58 -12.971  -1.583  -3.001
  432   3HB   ALA  58           HMB      ALA  58 -14.687  -2.058  -2.943
  433    H    MET  59           HN       MET  59 -11.414  -2.683  -1.407
  434    HA   MET  59           HA       MET  59 -12.298  -5.456  -1.711
  435   1HB   MET  59           HBR      MET  59 -10.029  -3.776  -2.664
  436   2HB   MET  59           HBS      MET  59  -9.727  -5.522  -2.477
  437   1HG   MET  59           HGR      MET  59 -12.185  -4.476  -3.923
  438   2HG   MET  59           HGS      MET  59 -10.634  -4.644  -4.779
  439   1HE   MET  59           HME      MET  59  -9.261  -6.647  -4.878
  440   2HE   MET  59           HME      MET  59  -9.378  -7.475  -3.304
  441   3HE   MET  59           HME      MET  59  -9.823  -8.336  -4.798
  442    H    PHE  60           HN       PHE  60 -10.635  -3.501   0.569
  443    HA   PHE  60           HA       PHE  60  -8.584  -5.158   1.355
  444   1HB   PHE  60           HBR      PHE  60  -9.863  -2.784   2.501
  445   2HB   PHE  60           HBS      PHE  60  -9.286  -3.912   3.763
  446    HD1  PHE  60           HD1      PHE  60  -8.104  -2.874   0.416
  447    HD2  PHE  60           HD2      PHE  60  -7.121  -3.253   4.543
  448    HE1  PHE  60           HE1      PHE  60  -5.781  -2.278  -0.104
  449    HE2  PHE  60           HE2      PHE  60  -4.776  -2.639   4.048
  450    HZ   PHE  60           HZ       PHE  60  -4.089  -2.286   1.691
  451    H    GLY  61           HN       GLY  61  -8.998  -7.272   1.609
  452   1HA   GLY  61           HAS      GLY  61  -9.878  -7.948   4.319
  453   2HA   GLY  61           HAR      GLY  61 -10.738  -8.809   3.011
  454    HA   PRO  62           HA       PRO  62  -7.223 -11.604   3.299
  455   1HB   PRO  62           HBS      PRO  62  -8.743 -13.433   1.955
  456   2HB   PRO  62           HBR      PRO  62  -8.305 -13.507   3.535
  457   1HG   PRO  62           HGS      PRO  62 -10.787 -13.095   2.550
  458   2HG   PRO  62           HGR      PRO  62 -10.342 -13.013   4.156
  459   1HD   PRO  62           HDS      PRO  62 -10.868 -10.905   2.388
  460   2HD   PRO  62           HDR      PRO  62 -10.777 -10.862   4.040
  461    H    LYS  63           HN       LYS  63  -9.319 -11.543   0.516
  462    HA   LYS  63           HA       LYS  63  -7.472  -9.963  -0.961
  463   1HB   LYS  63           HBR      LYS  63  -6.296 -12.164  -1.147
  464   2HB   LYS  63           HBS      LYS  63  -7.740 -12.808  -1.978
  465   1HG   LYS  63           HGR      LYS  63  -6.611 -10.296  -3.098
  466   2HG   LYS  63           HGS      LYS  63  -5.590 -11.753  -3.261
  467   1HD   LYS  63           HDS      LYS  63  -6.982 -12.775  -4.694
  468   2HD   LYS  63           HDR      LYS  63  -8.413 -12.140  -3.931
  469   1HE   LYS  63           HES      LYS  63  -8.354 -11.194  -6.081
  470   2HE   LYS  63           HER      LYS  63  -7.893  -9.910  -4.929
  471   1HZ   LYS  63           HZB      LYS  63  -5.635 -11.318  -5.814
  472   2HZ   LYS  63           HZC      LYS  63  -6.473 -10.765  -7.101
  473   3HZ   LYS  63           HZA      LYS  63  -5.971  -9.726  -5.945
  474    H    GLY  64           HN       GLY  64  -9.959 -12.512  -1.344
  475   1HA   GLY  64           HAS      GLY  64 -12.105 -12.430  -2.172
  476   2HA   GLY  64           HAR      GLY  64 -12.050 -10.707  -1.718
  477    H    PHE  65           HN       PHE  65 -13.541 -10.774  -3.680
  478    HA   PHE  65           HA       PHE  65 -11.980 -10.333  -6.166
  479   1HB   PHE  65           HBR      PHE  65 -13.638 -12.621  -5.681
  480   2HB   PHE  65           HBS      PHE  65 -14.475 -11.569  -6.859
  481    HD1  PHE  65           HD2      PHE  65 -10.767 -12.202  -6.411
  482    HD2  PHE  65           HD1      PHE  65 -14.253 -12.620  -8.826
  483    HE1  PHE  65           HE2      PHE  65  -9.365 -12.992  -8.290
  484    HE2  PHE  65           HE1      PHE  65 -12.884 -13.403 -10.704
  485    HZ   PHE  65           HZ       PHE  65 -10.433 -13.534 -10.460
  486    H    GLY  66           HN       GLY  66 -15.222 -10.206  -4.657
  487   1HA   GLY  66           HAR      GLY  66 -15.947  -7.997  -6.500
  488   2HA   GLY  66           HAS      GLY  66 -17.075  -9.049  -5.604
  489    H    ARG  67           HN       ARG  67 -17.688  -6.525  -5.431
  490    HA   ARG  67           HA       ARG  67 -16.156  -5.068  -3.442
  491   1HB   ARG  67           HBR      ARG  67 -17.141  -3.937  -5.380
  492   2HB   ARG  67           HBS      ARG  67 -18.776  -4.386  -4.816
  493   1HG   ARG  67           HGS      ARG  67 -18.806  -2.792  -3.186
  494   2HG   ARG  67           HGR      ARG  67 -17.040  -2.870  -2.920
  495   1HD   ARG  67           HDS      ARG  67 -17.973  -0.757  -3.962
  496   2HD   ARG  67           HDR      ARG  67 -16.588  -1.536  -4.778
  497    HE   ARG  67           HE       ARG  67 -17.926  -1.871  -6.619
  498   1HH1  ARG  67           HH1      ARG  67 -20.037  -1.633  -3.804
  499   2HH1  ARG  67           HH1      ARG  67 -21.474  -1.484  -4.759
  500   1HH2  ARG  67           HH2      ARG  67 -19.813  -1.544  -7.832
  501   2HH2  ARG  67           HH2      ARG  67 -21.349  -1.435  -7.039
  502    H    GLY  68           HN       GLY  68 -16.771  -4.451  -1.424
  503   1HA   GLY  68           HAR      GLY  68 -19.312  -5.592  -0.341
  504   2HA   GLY  68           HAS      GLY  68 -17.818  -5.507   0.631
  505    H    GLY  69           HN       GLY  69 -16.786  -3.245   0.642
  506   1HA   GLY  69           HAS      GLY  69 -16.855  -0.992   1.112
  507   2HA   GLY  69           HAR      GLY  69 -18.173  -0.928  -0.089
  508    H    ALA  70           HN       ALA  70 -17.313  -0.957   3.269
  509    HA   ALA  70           HA       ALA  70 -19.566   0.528   3.975
  510   1HB   ALA  70           HMB      ALA  70 -19.985  -2.364   4.132
  511   2HB   ALA  70           HMB      ALA  70 -20.268  -1.521   5.677
  512   3HB   ALA  70           HMB      ALA  70 -21.150  -1.018   4.213
  513    H    GLU  71           HN       GLU  71 -19.248   1.511   5.889
  514    HA   GLU  71           HA       GLU  71 -18.375   2.083   7.930
  515   1HB   GLU  71           HBR      GLU  71 -19.495  -0.054   8.417
  516   2HB   GLU  71           HBS      GLU  71 -18.125  -0.893   7.928
  517   1HG   GLU  71           HGR      GLU  71 -17.938  -0.964  10.325
  518   2HG   GLU  71           HGS      GLU  71 -16.749   0.209   9.694
  519    H    SER  72           HN       SER  72 -16.600   3.246   7.531
  520    HA   SER  72           HA       SER  72 -14.219   2.281   8.614
  521   1HB   SER  72           HBS      SER  72 -14.081   1.082   6.401
  522   2HB   SER  72           HBR      SER  72 -13.872   2.683   5.637
  523    HG   SER  72           HG       SER  72 -12.351   1.795   7.933
  524    H    HIS  73           HN       HIS  73 -14.134   4.084   9.768
  525    HA   HIS  73           HA       HIS  73 -13.783   6.260  10.336
  526   1HB   HIS  73           HBR      HIS  73 -12.087   7.462   9.030
  527   2HB   HIS  73           HBS      HIS  73 -11.609   5.775   9.370
  528    HD1  HIS  73           HD1      HIS  73 -12.482   8.096   6.507
  529    HD2  HIS  73           HD2      HIS  73 -11.401   4.124   7.144
  530    HE1  HIS  73           HE1      HIS  73 -11.985   7.127   4.250
  531    HE2  HIS  73           HE2      HIS  73 -11.342   4.721   4.628
  532    H    THR  74           HN       THR  74 -15.685   7.265  10.355
  533    HA   THR  74           HA       THR  74 -16.985   8.430   8.058
  534    HB   THR  74           HB       THR  74 -18.304   9.714   9.681
  535    HG1  THR  74           HG1      THR  74 -17.843   9.890  11.531
  536   1HG2  THR  74           HMG      THR  74 -17.809   6.889  10.649
  537   2HG2  THR  74           HMG      THR  74 -19.132   7.933  11.229
  538   3HG2  THR  74           HMG      THR  74 -19.065   7.450   9.515
  539    H    PHE  75           HN       PHE  75 -17.337  11.069   8.997
  540    HA   PHE  75           HA       PHE  75 -15.395  12.247   7.382
  541   1HB   PHE  75           HBR      PHE  75 -17.448  13.392   9.270
  542   2HB   PHE  75           HBS      PHE  75 -16.186  14.462   8.593
  543    HD1  PHE  75           HD2      PHE  75 -15.956  13.160   5.819
  544    HD2  PHE  75           HD1      PHE  75 -19.287  14.255   8.239
  545    HE1  PHE  75           HE2      PHE  75 -17.360  13.350   3.791
  546    HE2  PHE  75           HE1      PHE  75 -20.701  14.448   6.243
  547    HZ   PHE  75           HZ       PHE  75 -19.757  13.937   4.024
  548    H    LYS  76           HN       LYS  76 -15.813  13.357  10.735
  549    HA   LYS  76           HA       LYS  76 -14.299  14.113  12.290
  550   1HB   LYS  76           HBR      LYS  76 -13.231  11.794  11.845
  551   2HB   LYS  76           HBS      LYS  76 -12.059  12.702  10.847
  552   1HG   LYS  76           HGR      LYS  76 -11.166  12.356  13.091
  553   2HG   LYS  76           HGS      LYS  76 -11.485  14.092  12.816
  554   1HD   LYS  76           HDS      LYS  76 -13.814  13.460  13.911
  555   2HD   LYS  76           HDR      LYS  76 -12.883  12.150  14.583
  556   1HE   LYS  76           HES      LYS  76 -12.438  13.581  16.233
  557   2HE   LYS  76           HER      LYS  76 -11.210  14.198  15.093
  558   1HZ   LYS  76           HZA      LYS  76 -13.523  15.451  14.423
  559   2HZ   LYS  76           HZB      LYS  76 -13.536  15.463  16.056
  560   3HZ   LYS  76           HZC      LYS  76 -12.271  16.102  15.245
   
  No H/Q in entry =         560
  Start of MODEL    9
    1    H    PRO   1           HN       PRO   1  16.392   2.532   5.064
    2    HA   PRO   1           HA       PRO   1  13.983   2.600   5.180
    3   1HB   PRO   1           HBS      PRO   1  13.355   4.194   3.114
    4   2HB   PRO   1           HBR      PRO   1  13.161   4.590   4.695
    5   1HG   PRO   1           HGS      PRO   1  15.076   5.495   2.876
    6   2HG   PRO   1           HGR      PRO   1  14.613   6.195   4.319
    7   1HD   PRO   1           HDS      PRO   1  16.904   4.845   3.907
    8   2HD   PRO   1           HDR      PRO   1  16.288   5.264   5.383
    9    H    LYS   2           HN       LYS   2  12.708   1.213   4.098
   10    HA   LYS   2           HA       LYS   2  13.948   0.056   1.648
   11   1HB   LYS   2           HBR      LYS   2  13.638  -2.174   2.571
   12   2HB   LYS   2           HBS      LYS   2  14.746  -1.204   3.581
   13   1HG   LYS   2           HGS      LYS   2  11.799  -1.625   4.210
   14   2HG   LYS   2           HGR      LYS   2  13.119  -2.636   4.866
   15   1HD   LYS   2           HDS      LYS   2  13.972  -0.090   5.434
   16   2HD   LYS   2           HDR      LYS   2  12.243   0.107   5.511
   17   1HE   LYS   2           HES      LYS   2  12.039  -1.015   7.423
   18   2HE   LYS   2           HER      LYS   2  13.175  -2.285   6.890
   19   1HZ   LYS   2           HZB      LYS   2  14.516   0.138   7.343
   20   2HZ   LYS   2           HZC      LYS   2  13.669  -0.280   8.675
   21   3HZ   LYS   2           HZA      LYS   2  14.759  -1.318   8.040
   22    H    CYS   3           HN       CYS   3  12.575  -0.893   0.230
   23    HA   CYS   3           HA       CYS   3   9.997   0.226   0.282
   24   1HB   CYS   3           HBS      CYS   3  11.546  -0.001  -1.658
   25   2HB   CYS   3           HBR      CYS   3  11.148  -1.743  -1.701
   26    HA   PRO   4           HA       PRO   4   7.664  -3.244   1.862
   27   1HB   PRO   4           HBR      PRO   4   5.343  -1.866   1.496
   28   2HB   PRO   4           HBS      PRO   4   6.121  -2.093   2.923
   29   1HG   PRO   4           HGS      PRO   4   5.827   0.245   1.646
   30   2HG   PRO   4           HGR      PRO   4   6.812  -0.027   2.964
   31   1HD   PRO   4           HDS      PRO   4   7.525   0.148   0.230
   32   2HD   PRO   4           HDR      PRO   4   8.463   0.453   1.560
   33    H    LYS   5           HN       LYS   5   7.582  -1.705  -1.112
   34    HA   LYS   5           HA       LYS   5   5.418  -3.303  -2.259
   35   1HB   LYS   5           HBR      LYS   5   6.424  -0.879  -2.907
   36   2HB   LYS   5           HBS      LYS   5   7.353  -1.912  -4.029
   37   1HG   LYS   5           HGR      LYS   5   4.329  -2.041  -3.796
   38   2HG   LYS   5           HGS      LYS   5   5.169  -0.935  -4.919
   39   1HD   LYS   5           HDS      LYS   5   5.907  -2.598  -6.276
   40   2HD   LYS   5           HDR      LYS   5   5.974  -3.771  -4.991
   41   1HE   LYS   5           HES      LYS   5   3.375  -2.749  -6.115
   42   2HE   LYS   5           HER      LYS   5   4.239  -4.187  -6.728
   43   1HZ   LYS   5           HZC      LYS   5   4.125  -4.551  -4.060
   44   2HZ   LYS   5           HZA      LYS   5   2.664  -3.903  -4.392
   45   3HZ   LYS   5           HZB      LYS   5   3.149  -5.261  -5.161
   46    H    CYS   6           HN       CYS   6   8.854  -2.869  -3.192
   47    HA   CYS   6           HA       CYS   6   8.619  -5.441  -4.604
   48   1HB   CYS   6           HBS      CYS   6  10.574  -4.735  -5.862
   49   2HB   CYS   6           HBR      CYS   6   9.241  -3.554  -5.933
   50    H    ASP   7           HN       ASP   7  10.014  -4.166  -1.768
   51    HA   ASP   7           HA       ASP   7  11.491  -4.935  -0.241
   52   1HB   ASP   7           HBR      ASP   7  10.213  -7.103  -0.814
   53   2HB   ASP   7           HBS      ASP   7  11.730  -7.573  -1.633
   54    H    LYS   8           HN       LYS   8  12.499  -3.274  -1.987
   55    HA   LYS   8           HA       LYS   8  15.299  -4.297  -2.048
   56   1HB   LYS   8           HBR      LYS   8  13.890  -2.631  -3.980
   57   2HB   LYS   8           HBS      LYS   8  15.308  -1.793  -3.286
   58   1HG   LYS   8           HGS      LYS   8  16.586  -3.993  -3.830
   59   2HG   LYS   8           HGR      LYS   8  15.200  -4.346  -4.901
   60   1HD   LYS   8           HDS      LYS   8  16.624  -1.704  -5.054
   61   2HD   LYS   8           HDR      LYS   8  17.387  -3.124  -5.718
   62   1HE   LYS   8           HER      LYS   8  14.617  -2.220  -6.460
   63   2HE   LYS   8           HES      LYS   8  16.094  -1.812  -7.376
   64   1HZ   LYS   8           HZB      LYS   8  16.142  -4.514  -7.022
   65   2HZ   LYS   8           HZC      LYS   8  14.590  -4.186  -7.409
   66   3HZ   LYS   8           HZA      LYS   8  15.796  -3.716  -8.404
   67    H    GLU   9           HN       GLU   9  16.618  -1.945  -1.897
   68    HA   GLU   9           HA       GLU   9  15.508  -0.523   0.490
   69   1HB   GLU   9           HBR      GLU   9  18.245   0.089  -0.374
   70   2HB   GLU   9           HBS      GLU   9  17.544   0.001   1.143
   71   1HG   GLU   9           HGS      GLU   9  18.948  -1.744   1.359
   72   2HG   GLU   9           HGR      GLU   9  17.481  -2.629   0.862
   73    H    VAL  10           HN       VAL  10  15.496   1.742   0.418
   74    HA   VAL  10           HA       VAL  10  15.039   2.637  -2.373
   75    HB   VAL  10           HB       VAL  10  13.652   3.257   0.236
   76   1HG1  VAL  10           HMG      VAL  10  13.923   5.323  -1.241
   77   2HG1  VAL  10           HMG      VAL  10  12.843   4.500  -2.392
   78   3HG1  VAL  10           HMG      VAL  10  12.274   4.876  -0.748
   79   1HG2  VAL  10           HMG      VAL  10  13.255   1.224  -1.521
   80   2HG2  VAL  10           HMG      VAL  10  12.029   1.886  -0.419
   81   3HG2  VAL  10           HMG      VAL  10  12.088   2.441  -2.107
   82    H    TYR  11           HN       TYR  11  16.312   4.080  -3.187
   83    HA   TYR  11           HA       TYR  11  18.347   5.364  -1.476
   84   1HB   TYR  11           HBR      TYR  11  18.147   4.565  -4.275
   85   2HB   TYR  11           HBS      TYR  11  18.648   6.271  -4.108
   86    HD1  TYR  11           HD2      TYR  11  20.412   6.461  -1.957
   87    HD2  TYR  11           HD1      TYR  11  19.991   3.171  -4.618
   88    HE1  TYR  11           HE2      TYR  11  22.680   5.718  -1.385
   89    HE2  TYR  11           HE1      TYR  11  22.260   2.416  -4.054
   90    HH   TYR  11           HH       TYR  11  23.806   2.642  -2.055
   91    H    PHE  12           HN       PHE  12  18.763   7.671  -1.787
   92    HA   PHE  12           HA       PHE  12  16.632   8.843  -0.589
   93   1HB   PHE  12           HBR      PHE  12  19.044  10.172  -1.867
   94   2HB   PHE  12           HBS      PHE  12  17.792  11.107  -1.000
   95    HD1  PHE  12           HD2      PHE  12  17.310  10.330   1.497
   96    HD2  PHE  12           HD1      PHE  12  20.719   9.162  -0.779
   97    HE1  PHE  12           HE2      PHE  12  18.528   9.824   3.591
   98    HE2  PHE  12           HE1      PHE  12  21.944   8.645   1.282
   99    HZ   PHE  12           HZ       PHE  12  20.844   8.951   3.468
  100    H    ALA  13           HN       ALA  13  17.839  10.297  -3.623
  101    HA   ALA  13           HA       ALA  13  15.502  11.538  -4.190
  102   1HB   ALA  13           HMB      ALA  13  17.883  10.725  -5.834
  103   2HB   ALA  13           HMB      ALA  13  16.510  11.531  -6.636
  104   3HB   ALA  13           HMB      ALA  13  17.370  12.349  -5.307
  105    H    GLU  14           HN       GLU  14  15.923   8.252  -4.456
  106    HA   GLU  14           HA       GLU  14  13.532   8.047  -6.238
  107   1HB   GLU  14           HBR      GLU  14  14.153   5.760  -6.649
  108   2HB   GLU  14           HBS      GLU  14  15.304   6.862  -7.176
  109   1HG   GLU  14           HGR      GLU  14  16.895   6.402  -5.397
  110   2HG   GLU  14           HGS      GLU  14  15.624   5.500  -4.527
  111    H    ARG  15           HN       ARG  15  13.512   8.969  -3.575
  112    HA   ARG  15           HA       ARG  15  11.950   6.736  -2.371
  113   1HB   ARG  15           HBR      ARG  15  12.129   7.775  -0.273
  114   2HB   ARG  15           HBS      ARG  15  13.760   7.813  -0.995
  115   1HG   ARG  15           HGR      ARG  15  13.870   9.981  -0.547
  116   2HG   ARG  15           HGS      ARG  15  12.518  10.266  -1.680
  117   1HD   ARG  15           HDR      ARG  15  11.223  10.847  -0.005
  118   2HD   ARG  15           HDS      ARG  15  11.449   9.237   0.738
  119    HE   ARG  15           HE       ARG  15  13.028  10.147   2.192
  120   1HH1  ARG  15           HH1      ARG  15  11.863  12.580  -0.078
  121   2HH1  ARG  15           HH1      ARG  15  12.735  13.867   0.684
  122   1HH2  ARG  15           HH2      ARG  15  14.252  11.832   3.087
  123   2HH2  ARG  15           HH2      ARG  15  14.095  13.443   2.470
  124    H    VAL  16           HN       VAL  16   9.852   6.914  -1.891
  125    HA   VAL  16           HA       VAL  16   8.753   9.601  -1.647
  126    HB   VAL  16           HB       VAL  16   6.636   9.143  -2.640
  127   1HG1  VAL  16           HMG      VAL  16   8.896   8.459  -4.533
  128   2HG1  VAL  16           HMG      VAL  16   7.237   8.853  -5.040
  129   3HG1  VAL  16           HMG      VAL  16   8.216  10.065  -4.177
  130   1HG2  VAL  16           HMG      VAL  16   7.671   6.349  -3.041
  131   2HG2  VAL  16           HMG      VAL  16   6.152   6.905  -2.297
  132   3HG2  VAL  16           HMG      VAL  16   6.373   7.013  -4.061
  133    H    THR  17           HN       THR  17   7.969   9.837   0.298
  134    HA   THR  17           HA       THR  17   7.863   7.381   1.983
  135    HB   THR  17           HB       THR  17   8.459  10.275   2.833
  136    HG1  THR  17           HG1      THR  17  10.015   9.763   2.061
  137   1HG2  THR  17           HMG      THR  17   7.974   7.781   4.402
  138   2HG2  THR  17           HMG      THR  17   9.248   8.899   4.953
  139   3HG2  THR  17           HMG      THR  17   7.571   9.476   4.780
  140    H    SER  18           HN       SER  18   6.173   7.033   3.321
  141    HA   SER  18           HA       SER  18   3.882   8.706   3.643
  142   1HB   SER  18           HBR      SER  18   3.750   8.419   1.187
  143   2HB   SER  18           HBS      SER  18   3.666   6.650   1.429
  144    HG   SER  18           HG       SER  18   1.804   8.742   1.809
  145    H    LEU  19           HN       LEU  19   2.342   7.760   4.907
  146    HA   LEU  19           HA       LEU  19   1.818   6.564   6.788
  147   1HB   LEU  19           HBR      LEU  19   2.532   4.486   4.716
  148   2HB   LEU  19           HBS      LEU  19   1.896   4.046   6.326
  149    HG   LEU  19           HG       LEU  19  -0.199   5.044   5.879
  150   1HD1  LEU  19           HMD      LEU  19   1.295   6.408   3.682
  151   2HD1  LEU  19           HMD      LEU  19  -0.421   6.012   3.405
  152   3HD1  LEU  19           HMD      LEU  19   0.046   7.036   4.786
  153   1HD2  LEU  19           HMD      LEU  19   1.004   3.082   4.159
  154   2HD2  LEU  19           HMD      LEU  19  -0.679   3.199   4.733
  155   3HD2  LEU  19           HMD      LEU  19  -0.189   4.027   3.233
  156    H    GLY  20           HN       GLY  20   4.729   7.373   6.244
  157   1HA   GLY  20           HAS      GLY  20   6.148   7.686   8.069
  158   2HA   GLY  20           HAR      GLY  20   5.604   6.135   8.762
  159    H    LYS  21           HN       LYS  21   6.022   5.044   5.869
  160    HA   LYS  21           HA       LYS  21   8.942   4.577   6.165
  161   1HB   LYS  21           HBR      LYS  21   6.928   2.599   6.539
  162   2HB   LYS  21           HBS      LYS  21   7.700   2.294   4.957
  163   1HG   LYS  21           HGR      LYS  21   8.924   1.020   6.547
  164   2HG   LYS  21           HGS      LYS  21   9.937   2.442   6.167
  165   1HD   LYS  21           HDR      LYS  21   9.215   3.549   8.174
  166   2HD   LYS  21           HDS      LYS  21   8.133   2.244   8.577
  167   1HE   LYS  21           HES      LYS  21   9.837   0.861   9.262
  168   2HE   LYS  21           HER      LYS  21  11.008   1.608   8.138
  169   1HZ   LYS  21           HZA      LYS  21  10.412   3.608   9.795
  170   2HZ   LYS  21           HZB      LYS  21  10.348   2.336  10.817
  171   3HZ   LYS  21           HZC      LYS  21  11.707   2.626   9.959
  172    H    ASP  22           HN       ASP  22  10.023   4.229   4.221
  173    HA   ASP  22           HA       ASP  22   8.833   5.879   2.186
  174   1HB   ASP  22           HBS      ASP  22  11.592   4.708   2.069
  175   2HB   ASP  22           HBR      ASP  22  10.973   6.236   1.375
  176    H    TRP  23           HN       TRP  23   9.250   5.429  -0.145
  177    HA   TRP  23           HA       TRP  23   9.284   2.544  -0.860
  178   1HB   TRP  23           HBR      TRP  23   7.333   4.624  -1.867
  179   2HB   TRP  23           HBS      TRP  23   7.339   2.864  -2.226
  180    HD1  TRP  23           HD1      TRP  23   6.670   5.352   0.657
  181    HE1  TRP  23           HE1      TRP  23   4.767   4.403   2.103
  182    HE3  TRP  23           HE3      TRP  23   6.146   0.856  -1.660
  183    HZ2  TRP  23           HZ2      TRP  23   3.209   2.072   2.171
  184    HZ3  TRP  23           HZ3      TRP  23   4.450  -0.705  -0.825
  185    HH2  TRP  23           HH2      TRP  23   2.953  -0.087   0.998
  186    H    HIS  24           HN       ZHI  24   9.294   2.390  -3.363
  187    HA   HIS  24           HA       ZHI  24  11.181   4.320  -4.487
  188   1HB   HIS  24           HBS      ZHI  24   9.940   1.826  -5.732
  189   2HB   HIS  24           HBR      ZHI  24  11.184   2.863  -6.492
  190    HD2  HIS  24           HD2      ZHI  24  13.300   3.186  -4.157
  191    HE1  HIS  24           HE1      ZHI  24  12.814  -0.820  -3.065
  192    HE2  HIS  24           HE2      ZHI  24  14.430   1.111  -3.105
  193    H    ARG  25           HN       ARG  25  10.874   5.474  -6.399
  194    HA   ARG  25           HA       ARG  25   8.474   6.960  -6.393
  195   1HB   ARG  25           HBR      ARG  25  10.924   7.424  -7.396
  196   2HB   ARG  25           HBS      ARG  25  10.099   6.907  -8.893
  197   1HG   ARG  25           HGR      ARG  25   9.167   8.911  -9.119
  198   2HG   ARG  25           HGS      ARG  25   8.446   8.801  -7.489
  199   1HD   ARG  25           HDR      ARG  25  10.556   9.581  -6.523
  200   2HD   ARG  25           HDS      ARG  25  11.236   9.733  -8.168
  201    HE   ARG  25           HE       ARG  25   8.819  11.215  -8.018
  202   1HH1  ARG  25           HH1      ARG  25  11.998  11.280  -6.494
  203   2HH1  ARG  25           HH1      ARG  25  12.071  13.010  -6.469
  204   1HH2  ARG  25           HH2      ARG  25   9.007  13.473  -8.086
  205   2HH2  ARG  25           HH2      ARG  25  10.378  14.252  -7.369
  206    HA   PRO  26           HA       PRO  26   7.385   4.458 -10.343
  207   1HB   PRO  26           HBR      PRO  26   8.861   2.115 -10.443
  208   2HB   PRO  26           HBS      PRO  26   8.794   3.309 -11.568
  209   1HG   PRO  26           HGS      PRO  26  10.900   2.757 -10.036
  210   2HG   PRO  26           HGR      PRO  26  10.702   4.153 -10.928
  211   1HD   PRO  26           HDS      PRO  26  10.443   3.797  -8.153
  212   2HD   PRO  26           HDR      PRO  26  10.671   5.204  -8.994
  213    H    CYS  27           HN       CYS  27   8.012   2.934  -7.400
  214    HA   CYS  27           HA       CYS  27   6.452   0.606  -7.931
  215   1HB   CYS  27           HBS      CYS  27   7.936   1.744  -5.616
  216   2HB   CYS  27           HBR      CYS  27   6.670   0.533  -5.269
  217    H    LEU  28           HN       LEU  28   5.864   3.506  -5.934
  218    HA   LEU  28           HA       LEU  28   3.744   2.399  -4.498
  219   1HB   LEU  28           HBR      LEU  28   5.279   4.408  -4.079
  220   2HB   LEU  28           HBS      LEU  28   4.103   5.349  -5.037
  221    HG   LEU  28           HG       LEU  28   2.493   4.130  -3.180
  222   1HD1  LEU  28           HMD      LEU  28   4.938   3.601  -2.157
  223   2HD1  LEU  28           HMD      LEU  28   4.660   5.222  -1.471
  224   3HD1  LEU  28           HMD      LEU  28   3.495   3.910  -1.158
  225   1HD2  LEU  28           HMD      LEU  28   3.748   6.767  -3.659
  226   2HD2  LEU  28           HMD      LEU  28   2.033   6.324  -3.466
  227   3HD2  LEU  28           HMD      LEU  28   3.067   6.526  -2.028
  228    H    LYS  29           HN       LYS  29   2.271   1.394  -5.820
  229    HA   LYS  29           HA       LYS  29   0.383   3.172  -7.269
  230   1HB   LYS  29           HBR      LYS  29   1.537   0.624  -8.441
  231   2HB   LYS  29           HBS      LYS  29   0.395   1.766  -9.205
  232   1HG   LYS  29           HGR      LYS  29   2.127   3.488  -9.284
  233   2HG   LYS  29           HGS      LYS  29   3.271   2.406  -8.440
  234   1HD   LYS  29           HDR      LYS  29   3.989   1.891 -10.443
  235   2HD   LYS  29           HDS      LYS  29   2.618   0.818 -10.492
  236   1HE   LYS  29           HES      LYS  29   1.897   1.881 -12.310
  237   2HE   LYS  29           HER      LYS  29   1.698   3.355 -11.323
  238   1HZ   LYS  29           HZB      LYS  29   4.391   2.977 -11.977
  239   2HZ   LYS  29           HZC      LYS  29   3.499   2.937 -13.345
  240   3HZ   LYS  29           HZA      LYS  29   3.411   4.229 -12.351
  241    H    CYS  30           HN       CYS  30  -1.670   2.296  -7.570
  242    HA   CYS  30           HA       CYS  30  -2.616   0.163  -5.849
  243   1HB   CYS  30           HBS      CYS  30  -3.933   2.141  -6.870
  244   2HB   CYS  30           HBR      CYS  30  -4.032   1.098  -8.319
  245    H    GLU  31           HN       GLU  31  -2.291  -1.893  -6.129
  246    HA   GLU  31           HA       GLU  31  -1.791  -2.998  -8.846
  247   1HB   GLU  31           HBS      GLU  31  -0.681  -3.401  -6.441
  248   2HB   GLU  31           HBR      GLU  31  -1.842  -4.609  -6.337
  249   1HG   GLU  31           HGR      GLU  31  -0.481  -5.988  -7.687
  250   2HG   GLU  31           HGS      GLU  31  -0.635  -4.732  -8.946
  251    H    LYS  32           HN       LYS  32  -4.369  -1.872  -7.754
  252    HA   LYS  32           HA       LYS  32  -6.044  -4.299  -8.201
  253   1HB   LYS  32           HBS      LYS  32  -6.166  -2.748  -6.031
  254   2HB   LYS  32           HBR      LYS  32  -7.191  -1.765  -7.115
  255   1HG   LYS  32           HGS      LYS  32  -7.948  -4.558  -7.284
  256   2HG   LYS  32           HGR      LYS  32  -7.948  -4.019  -5.580
  257   1HD   LYS  32           HDS      LYS  32  -9.532  -2.335  -6.023
  258   2HD   LYS  32           HDR      LYS  32  -9.230  -2.382  -7.738
  259   1HE   LYS  32           HER      LYS  32 -10.645  -4.048  -8.126
  260   2HE   LYS  32           HES      LYS  32 -10.213  -4.919  -6.628
  261   1HZ   LYS  32           HZB      LYS  32 -11.490  -2.624  -5.863
  262   2HZ   LYS  32           HZC      LYS  32 -12.379  -3.206  -7.104
  263   3HZ   LYS  32           HZA      LYS  32 -12.079  -4.146  -5.802
  264    H    CYS  33           HN       CYS  33  -6.105  -0.741  -8.651
  265    HA   CYS  33           HA       CYS  33  -7.451  -1.233 -11.226
  266   1HB   CYS  33           HBS      CYS  33  -8.304   0.989 -11.076
  267   2HB   CYS  33           HBR      CYS  33  -8.602   0.090  -9.564
  268    H    GLY  34           HN       GLY  34  -4.394  -0.363 -10.037
  269   1HA   GLY  34           HAR      GLY  34  -2.441   0.147 -11.152
  270   2HA   GLY  34           HAS      GLY  34  -3.351   0.057 -12.682
  271    H    LYS  35           HN       LYS  35  -4.022   2.143  -9.878
  272    HA   LYS  35           HA       LYS  35  -3.384   4.551 -11.510
  273   1HB   LYS  35           HBR      LYS  35  -5.531   4.080  -9.849
  274   2HB   LYS  35           HBS      LYS  35  -4.399   4.961  -8.784
  275   1HG   LYS  35           HGS      LYS  35  -5.878   6.554  -9.843
  276   2HG   LYS  35           HGR      LYS  35  -4.237   6.751 -10.522
  277   1HD   LYS  35           HDS      LYS  35  -5.250   6.683 -12.503
  278   2HD   LYS  35           HDR      LYS  35  -5.312   4.962 -12.240
  279   1HE   LYS  35           HES      LYS  35  -7.539   6.621 -11.161
  280   2HE   LYS  35           HER      LYS  35  -7.447   6.292 -12.915
  281   1HZ   LYS  35           HZA      LYS  35  -7.075   4.026 -11.191
  282   2HZ   LYS  35           HZB      LYS  35  -8.577   4.666 -11.178
  283   3HZ   LYS  35           HZC      LYS  35  -7.918   4.156 -12.584
  284    H    THR  36           HN       THR  36  -1.542   5.547 -11.186
  285    HA   THR  36           HA       THR  36   0.370   4.884  -9.131
  286    HB   THR  36           HB       THR  36   0.214   7.475 -10.766
  287    HG1  THR  36           HG1      THR  36   1.378   6.537 -12.113
  288   1HG2  THR  36           HMG      THR  36   2.395   6.106  -9.219
  289   2HG2  THR  36           HMG      THR  36   2.789   7.131 -10.623
  290   3HG2  THR  36           HMG      THR  36   1.913   7.821  -9.232
  291    H    LEU  37           HN       LEU  37   0.747   5.810  -7.207
  292    HA   LEU  37           HA       LEU  37  -1.680   7.028  -6.074
  293   1HB   LEU  37           HBR      LEU  37   0.689   5.606  -4.818
  294   2HB   LEU  37           HBS      LEU  37  -0.808   6.104  -3.979
  295    HG   LEU  37           HG       LEU  37  -0.765   4.129  -6.268
  296   1HD1  LEU  37           HMD      LEU  37  -0.405   3.744  -3.298
  297   2HD1  LEU  37           HMD      LEU  37  -1.167   2.489  -4.307
  298   3HD1  LEU  37           HMD      LEU  37   0.500   3.015  -4.648
  299   1HD2  LEU  37           HMD      LEU  37  -2.787   5.568  -5.044
  300   2HD2  LEU  37           HMD      LEU  37  -2.985   4.057  -5.966
  301   3HD2  LEU  37           HMD      LEU  37  -2.828   4.003  -4.192
  302    H    THR  38           HN       THR  38  -1.451   8.520  -4.245
  303    HA   THR  38           HA       THR  38   0.225  10.715  -5.259
  304    HB   THR  38           HB       THR  38  -1.896  11.205  -3.167
  305    HG1  THR  38           HG1      THR  38  -3.375  10.945  -4.377
  306   1HG2  THR  38           HMG      THR  38  -0.723  12.635  -5.479
  307   2HG2  THR  38           HMG      THR  38  -2.461  12.897  -5.187
  308   3HG2  THR  38           HMG      THR  38  -1.279  13.247  -3.901
  309    H    SER  39           HN       SER  39   0.294  12.434  -3.177
  310    HA   SER  39           HA       SER  39   2.268  11.206  -1.450
  311   1HB   SER  39           HBS      SER  39   1.980  13.827  -0.619
  312   2HB   SER  39           HBR      SER  39   3.151  13.207  -1.820
  313    HG   SER  39           HG       SER  39   1.750  15.125  -2.315
  314    H    GLY  40           HN       GLY  40  -0.747  10.724  -1.173
  315   1HA   GLY  40           HAR      GLY  40  -0.772   9.652   1.246
  316   2HA   GLY  40           HAS      GLY  40  -1.077  11.348   1.705
  317    H    GLY  41           HN       GLY  41  -2.170   9.292  -1.026
  318   1HA   GLY  41           HAR      GLY  41  -4.939   9.400   0.078
  319   2HA   GLY  41           HAS      GLY  41  -4.647   9.742  -1.647
  320    H    HIS  42           HN       HIS  42  -2.344   7.525  -0.732
  321    HA   HIS  42           HA       HIS  42  -4.022   5.223  -1.433
  322   1HB   HIS  42           HBS      HIS  42  -1.996   4.014  -1.834
  323   2HB   HIS  42           HBR      HIS  42  -1.846   5.625  -2.590
  324    HD1  HIS  42           HD1      HIS  42  -0.149   3.374  -0.158
  325    HD2  HIS  42           HD2      HIS  42  -0.174   7.432  -1.088
  326    HE1  HIS  42           HE1      HIS  42   1.921   4.350   0.867
  327    HE2  HIS  42           HE2      HIS  42   2.031   6.749   0.089
  328    H    ALA  43           HN       ALA  43  -2.659   3.153  -0.344
  329    HA   ALA  43           HA       ALA  43  -2.121   3.584   2.457
  330   1HB   ALA  43           HMB      ALA  43  -4.593   2.122   1.609
  331   2HB   ALA  43           HMB      ALA  43  -3.666   1.532   3.012
  332   3HB   ALA  43           HMB      ALA  43  -4.311   3.193   3.005
  333    H    GLU  44           HN       GLU  44  -1.939   1.051   3.355
  334    HA   GLU  44           HA       GLU  44  -0.622  -0.572   1.242
  335   1HB   GLU  44           HBR      GLU  44   1.271  -0.941   2.511
  336   2HB   GLU  44           HBS      GLU  44   0.992   0.713   2.542
  337   1HG   GLU  44           HGR      GLU  44   0.369  -1.129   4.894
  338   2HG   GLU  44           HGS      GLU  44   1.687   0.063   4.733
  339    H    HIS  45           HN       HIS  45  -1.299  -2.599   1.258
  340    HA   HIS  45           HA       HIS  45  -2.213  -3.804   3.824
  341   1HB   HIS  45           HBS      HIS  45  -4.155  -3.271   2.350
  342   2HB   HIS  45           HBR      HIS  45  -3.426  -4.275   1.063
  343    HD1  HIS  45           HD1      HIS  45  -4.746  -4.706   4.657
  344    HD2  HIS  45           HD2      HIS  45  -3.774  -6.946   1.285
  345    HE1  HIS  45           HE1      HIS  45  -5.434  -7.063   5.155
  346    HE2  HIS  45           HE2      HIS  45  -4.895  -8.416   3.099
  347    H    GLU  46           HN       GLU  46  -0.698  -5.187   4.370
  348    HA   GLU  46           HA       GLU  46   1.053  -6.665   4.278
  349   1HB   GLU  46           HBR      GLU  46  -0.359  -7.647   1.791
  350   2HB   GLU  46           HBS      GLU  46   0.818  -8.443   2.684
  351   1HG   GLU  46           HGR      GLU  46  -1.953  -7.802   3.793
  352   2HG   GLU  46           HGS      GLU  46  -1.317  -9.383   3.259
  353    H    GLY  47           HN       GLY  47   1.585  -4.172   3.245
  354   1HA   GLY  47           HAR      GLY  47   3.345  -3.115   2.208
  355   2HA   GLY  47           HAS      GLY  47   4.060  -4.733   1.983
  356    H    LYS  48           HN       LYS  48   0.887  -4.294   0.714
  357    HA   LYS  48           HA       LYS  48   1.950  -3.697  -2.012
  358   1HB   LYS  48           HBR      LYS  48  -0.620  -5.121  -1.246
  359   2HB   LYS  48           HBS      LYS  48  -0.103  -4.693  -2.901
  360   1HG   LYS  48           HGS      LYS  48   0.664  -6.820  -2.946
  361   2HG   LYS  48           HGR      LYS  48   2.052  -6.136  -2.053
  362   1HD   LYS  48           HDR      LYS  48   1.638  -7.597  -0.472
  363   2HD   LYS  48           HDS      LYS  48   0.204  -6.694  -0.071
  364   1HE   LYS  48           HER      LYS  48  -1.136  -8.094  -1.515
  365   2HE   LYS  48           HES      LYS  48   0.323  -8.952  -2.084
  366   1HZ   LYS  48           HZB      LYS  48   0.644  -9.530   0.316
  367   2HZ   LYS  48           HZC      LYS  48  -0.881  -9.015   0.588
  368   3HZ   LYS  48           HZA      LYS  48  -0.611 -10.265  -0.428
  369    HA   PRO  49           HA       PRO  49  -0.110   0.134  -0.940
  370   1HB   PRO  49           HBR      PRO  49   0.926   1.417  -3.051
  371   2HB   PRO  49           HBS      PRO  49   1.575   1.423  -1.543
  372   1HG   PRO  49           HGS      PRO  49   2.460   0.050  -3.807
  373   2HG   PRO  49           HGR      PRO  49   3.322   0.465  -2.439
  374   1HD   PRO  49           HDS      PRO  49   2.416  -1.998  -3.009
  375   2HD   PRO  49           HDR      PRO  49   2.954  -1.497  -1.528
  376    H    TYR  50           HN       TYR  50  -1.869   1.255  -1.614
  377    HA   TYR  50           HA       TYR  50  -3.049   0.557  -4.152
  378   1HB   TYR  50           HBR      TYR  50  -4.408  -0.435  -1.618
  379   2HB   TYR  50           HBS      TYR  50  -5.158  -0.360  -3.237
  380    HD1  TYR  50           HD1      TYR  50  -4.019  -1.763  -5.109
  381    HD2  TYR  50           HD2      TYR  50  -3.357  -2.388  -0.955
  382    HE1  TYR  50           HE1      TYR  50  -3.384  -4.092  -5.565
  383    HE2  TYR  50           HE2      TYR  50  -2.660  -4.697  -1.404
  384    HH   TYR  50           HH       TYR  50  -3.256  -6.409  -3.239
  385    H    CYS  51           HN       CYS  51  -5.185   1.662  -4.396
  386    HA   CYS  51           HA       CYS  51  -5.598   4.161  -3.375
  387   1HB   CYS  51           HBS      CYS  51  -7.733   2.095  -3.965
  388   2HB   CYS  51           HBR      CYS  51  -8.033   3.835  -3.692
  389    H    ASN  52           HN       ASN  52  -5.968   5.080  -1.529
  390    HA   ASN  52           HA       ASN  52  -6.770   3.758   0.884
  391   1HB   ASN  52           HBS      ASN  52  -5.604   5.957   0.765
  392   2HB   ASN  52           HBR      ASN  52  -7.145   6.672   0.207
  393   1HD2  ASN  52           HD2      ASN  52  -7.411   7.423   3.682
  394   2HD2  ASN  52           HD2      ASN  52  -6.831   8.025   2.164
  395    H    HIS  53           HN       HIS  53  -8.475   5.244  -1.817
  396    HA   HIS  53           HA       HIS  53 -10.566   3.282  -1.397
  397   1HB   HIS  53           HBS      HIS  53 -11.254   6.246  -1.265
  398   2HB   HIS  53           HBR      HIS  53 -12.418   5.003  -1.806
  399    HD1  HIS  53           HD1      HIS  53 -13.770   3.910   0.044
  400    HD2  HIS  53           HD2      HIS  53 -10.382   5.879   1.453
  401    HE1  HIS  53           HE1      HIS  53 -13.985   3.988   2.540
  402    HE2  HIS  53           HE2      HIS  53 -11.933   5.169   3.399
  403    HA   PRO  54           HA       PRO  54 -12.521   3.181  -2.172
  404   1HB   PRO  54           HBS      PRO  54 -13.740   1.609  -3.958
  405   2HB   PRO  54           HBR      PRO  54 -14.294   3.082  -3.485
  406   1HG   PRO  54           HGR      PRO  54 -13.238   2.364  -5.938
  407   2HG   PRO  54           HGS      PRO  54 -13.955   3.805  -5.507
  408   1HD   PRO  54           HDS      PRO  54 -11.257   3.284  -5.810
  409   2HD   PRO  54           HDR      PRO  54 -11.978   4.740  -5.490
  410    H    CYS  55           HN       CYS  55 -10.133   1.858  -4.034
  411    HA   CYS  55           HA       CYS  55 -10.851  -0.780  -4.104
  412   1HB   CYS  55           HBS      CYS  55  -8.031   0.326  -4.088
  413   2HB   CYS  55           HBR      CYS  55  -8.523  -1.299  -4.641
  414    H    TYR  56           HN       TYR  56  -8.845   0.811  -1.631
  415    HA   TYR  56           HA       TYR  56  -8.209  -1.542  -0.134
  416   1HB   TYR  56           HBR      TYR  56  -6.979   0.546   0.158
  417   2HB   TYR  56           HBS      TYR  56  -8.455   1.358   0.754
  418    HD1  TYR  56           HD2      TYR  56  -6.372  -1.667   1.522
  419    HD2  TYR  56           HD1      TYR  56  -8.635   1.583   3.074
  420    HE1  TYR  56           HE2      TYR  56  -5.813  -2.376   3.803
  421    HE2  TYR  56           HE1      TYR  56  -8.056   0.901   5.363
  422    HH   TYR  56           HH       TYR  56  -5.599  -1.595   5.898
  423    H    SER  57           HN       SER  57 -10.748   0.950   0.282
  424    HA   SER  57           HA       SER  57 -11.712  -0.368   2.657
  425   1HB   SER  57           HBS      SER  57 -11.702   2.004   2.630
  426   2HB   SER  57           HBR      SER  57 -12.672   2.066   1.130
  427    HG   SER  57           HG       SER  57 -14.366   2.125   2.250
  428    H    ALA  58           HN       ALA  58 -12.478  -0.493  -0.702
  429    HA   ALA  58           HA       ALA  58 -15.162  -1.489  -0.351
  430   1HB   ALA  58           HMB      ALA  58 -13.267  -1.328  -2.702
  431   2HB   ALA  58           HMB      ALA  58 -14.912  -2.006  -2.809
  432   3HB   ALA  58           HMB      ALA  58 -14.681  -0.304  -2.338
  433    H    MET  59           HN       MET  59 -12.008  -2.946  -1.171
  434    HA   MET  59           HA       MET  59 -13.040  -5.601  -1.268
  435   1HB   MET  59           HBS      MET  59 -10.317  -4.345  -1.272
  436   2HB   MET  59           HBR      MET  59 -10.462  -6.102  -1.011
  437   1HG   MET  59           HGS      MET  59 -11.891  -4.713  -3.317
  438   2HG   MET  59           HGR      MET  59 -10.187  -5.208  -3.450
  439   1HE   MET  59           HME      MET  59  -9.388  -7.649  -2.823
  440   2HE   MET  59           HME      MET  59 -10.404  -7.868  -1.376
  441   3HE   MET  59           HME      MET  59 -10.438  -9.080  -2.681
  442    H    PHE  60           HN       PHE  60 -11.188  -3.819   1.209
  443    HA   PHE  60           HA       PHE  60 -11.301  -6.180   2.956
  444   1HB   PHE  60           HBR      PHE  60  -9.760  -3.564   3.249
  445   2HB   PHE  60           HBS      PHE  60  -9.708  -4.931   4.402
  446    HD1  PHE  60           HD2      PHE  60  -8.918  -7.259   3.372
  447    HD2  PHE  60           HD1      PHE  60  -8.339  -3.456   1.537
  448    HE1  PHE  60           HE2      PHE  60  -7.196  -8.240   1.892
  449    HE2  PHE  60           HE1      PHE  60  -6.627  -4.405   0.060
  450    HZ   PHE  60           HZ       PHE  60  -6.095  -6.810   0.193
  451    H    GLY  61           HN       GLY  61 -13.396  -6.202   3.674
  452   1HA   GLY  61           HAS      GLY  61 -14.191  -4.675   5.914
  453   2HA   GLY  61           HAR      GLY  61 -14.911  -3.923   4.463
  454    HA   PRO  62           HA       PRO  62 -16.210  -8.563   4.666
  455   1HB   PRO  62           HBR      PRO  62 -16.096  -9.419   7.313
  456   2HB   PRO  62           HBS      PRO  62 -15.355 -10.080   6.005
  457   1HG   PRO  62           HGS      PRO  62 -14.119  -8.779   7.960
  458   2HG   PRO  62           HGR      PRO  62 -13.451  -9.121   6.471
  459   1HD   PRO  62           HDS      PRO  62 -14.399  -6.660   7.439
  460   2HD   PRO  62           HDR      PRO  62 -13.375  -6.941   6.170
  461    H    LYS  63           HN       LYS  63 -17.187  -8.131   7.937
  462    HA   LYS  63           HA       LYS  63 -19.889  -8.737   7.115
  463   1HB   LYS  63           HBS      LYS  63 -18.397  -8.489   9.679
  464   2HB   LYS  63           HBR      LYS  63 -20.157  -8.181   9.735
  465   1HG   LYS  63           HGR      LYS  63 -20.221 -10.429  10.099
  466   2HG   LYS  63           HGS      LYS  63 -20.163 -10.473   8.313
  467   1HD   LYS  63           HDS      LYS  63 -17.650 -10.609   8.517
  468   2HD   LYS  63           HDR      LYS  63 -17.875 -10.832  10.230
  469   1HE   LYS  63           HES      LYS  63 -17.649 -12.993   9.415
  470   2HE   LYS  63           HER      LYS  63 -19.405 -12.773   9.654
  471   1HZ   LYS  63           HZC      LYS  63 -18.633 -11.974   7.078
  472   2HZ   LYS  63           HZA      LYS  63 -18.138 -13.507   7.350
  473   3HZ   LYS  63           HZB      LYS  63 -19.714 -13.115   7.520
  474    H    GLY  64           HN       GLY  64 -21.344  -7.335   6.500
  475   1HA   GLY  64           HAR      GLY  64 -22.737  -5.501   6.467
  476   2HA   GLY  64           HAS      GLY  64 -22.272  -5.305   8.177
  477    H    PHE  65           HN       PHE  65 -22.697  -3.007   7.341
  478    HA   PHE  65           HA       PHE  65 -20.397  -1.614   7.763
  479   1HB   PHE  65           HBR      PHE  65 -20.210  -2.463   5.093
  480   2HB   PHE  65           HBS      PHE  65 -20.761  -0.765   4.990
  481    HD1  PHE  65           HD2      PHE  65 -18.188  -2.770   6.949
  482    HD2  PHE  65           HD1      PHE  65 -19.212   0.794   4.848
  483    HE1  PHE  65           HE2      PHE  65 -15.931  -1.864   7.399
  484    HE2  PHE  65           HE1      PHE  65 -16.980   1.716   5.283
  485    HZ   PHE  65           HZ       PHE  65 -15.358   0.415   6.610
  486    H    GLY  66           HN       GLY  66 -22.847  -1.060   5.206
  487   1HA   GLY  66           HAR      GLY  66 -24.885   0.219   5.494
  488   2HA   GLY  66           HAS      GLY  66 -24.167   0.978   6.940
  489    H    ARG  67           HN       ARG  67 -22.754   2.678   6.729
  490    HA   ARG  67           HA       ARG  67 -23.143   4.171   4.261
  491   1HB   ARG  67           HBR      ARG  67 -21.656   5.041   6.754
  492   2HB   ARG  67           HBS      ARG  67 -22.351   6.067   5.467
  493   1HG   ARG  67           HGS      ARG  67 -23.867   4.411   7.510
  494   2HG   ARG  67           HGR      ARG  67 -23.744   6.191   7.438
  495   1HD   ARG  67           HDS      ARG  67 -24.808   4.632   5.113
  496   2HD   ARG  67           HDR      ARG  67 -25.848   5.001   6.518
  497    HE   ARG  67           HE       ARG  67 -24.869   7.439   5.942
  498   1HH1  ARG  67           HH1      ARG  67 -25.918   4.956   3.670
  499   2HH1  ARG  67           HH1      ARG  67 -26.630   6.099   2.581
  500   1HH2  ARG  67           HH2      ARG  67 -25.923   8.893   4.558
  501   2HH2  ARG  67           HH2      ARG  67 -26.632   8.328   3.082
  502    H    GLY  68           HN       GLY  68 -21.805   4.109   2.635
  503   1HA   GLY  68           HAS      GLY  68 -19.146   4.544   2.315
  504   2HA   GLY  68           HAR      GLY  68 -19.165   2.885   2.971
  505    H    GLY  69           HN       GLY  69 -20.978   4.843   0.568
  506   1HA   GLY  69           HAS      GLY  69 -20.381   2.939  -1.539
  507   2HA   GLY  69           HAR      GLY  69 -22.107   2.949  -1.091
  508    H    ALA  70           HN       ALA  70 -23.062   3.988  -2.723
  509    HA   ALA  70           HA       ALA  70 -23.819   5.740  -3.993
  510   1HB   ALA  70           HMB      ALA  70 -23.328   6.982  -1.719
  511   2HB   ALA  70           HMB      ALA  70 -21.993   7.694  -2.659
  512   3HB   ALA  70           HMB      ALA  70 -23.674   7.880  -3.219
  513    H    GLU  71           HN       GLU  71 -23.263   6.239  -5.993
  514    HA   GLU  71           HA       GLU  71 -20.361   6.185  -6.709
  515   1HB   GLU  71           HBR      GLU  71 -22.721   4.555  -7.535
  516   2HB   GLU  71           HBS      GLU  71 -21.656   5.030  -8.742
  517   1HG   GLU  71           HGR      GLU  71 -19.684   4.100  -7.292
  518   2HG   GLU  71           HGS      GLU  71 -21.002   3.321  -6.378
  519    H    SER  72           HN       SER  72 -23.460   6.442  -8.483
  520    HA   SER  72           HA       SER  72 -22.282   8.750  -9.937
  521   1HB   SER  72           HBS      SER  72 -23.316   8.019 -11.886
  522   2HB   SER  72           HBR      SER  72 -22.680   6.528 -11.133
  523    HG   SER  72           HG       SER  72 -24.769   6.230 -10.119
  524    H    HIS  73           HN       HIS  73 -24.438   9.625 -11.315
  525    HA   HIS  73           HA       HIS  73 -26.443  10.759 -11.253
  526   1HB   HIS  73           HBS      HIS  73 -27.382   8.838  -9.863
  527   2HB   HIS  73           HBR      HIS  73 -26.919   9.777  -8.414
  528    HD1  HIS  73           HD1      HIS  73 -29.448  10.153  -7.723
  529    HD2  HIS  73           HD2      HIS  73 -28.409  11.671 -11.462
  530    HE1  HIS  73           HE1      HIS  73 -31.263  11.760  -8.364
  531    HE2  HIS  73           HE2      HIS  73 -30.627  12.699 -10.614
  532    H    THR  74           HN       THR  74 -23.754  11.556 -10.238
  533    HA   THR  74           HA       THR  74 -24.702  14.004  -8.830
  534    HB   THR  74           HB       THR  74 -22.009  14.164  -8.436
  535    HG1  THR  74           HG1      THR  74 -21.148  12.585  -8.533
  536   1HG2  THR  74           HMG      THR  74 -24.195  13.053  -6.761
  537   2HG2  THR  74           HMG      THR  74 -22.525  12.751  -6.216
  538   3HG2  THR  74           HMG      THR  74 -23.093  14.421  -6.464
  539    H    PHE  75           HN       PHE  75 -25.366  14.559 -11.041
  540    HA   PHE  75           HA       PHE  75 -25.116  15.721 -12.986
  541   1HB   PHE  75           HBS      PHE  75 -22.577  16.556 -11.538
  542   2HB   PHE  75           HBR      PHE  75 -23.015  17.179 -13.155
  543    HD1  PHE  75           HD2      PHE  75 -25.310  16.496 -10.232
  544    HD2  PHE  75           HD1      PHE  75 -23.514  19.340 -12.849
  545    HE1  PHE  75           HE2      PHE  75 -26.696  18.284  -9.231
  546    HE2  PHE  75           HE1      PHE  75 -24.874  21.131 -11.870
  547    HZ   PHE  75           HZ       PHE  75 -26.423  20.618 -10.021
  548    H    LYS  76           HN       LYS  76 -23.481  16.196 -14.849
  549    HA   LYS  76           HA       LYS  76 -22.153  15.428 -16.550
  550   1HB   LYS  76           HBS      LYS  76 -20.801  14.892 -14.074
  551   2HB   LYS  76           HBR      LYS  76 -20.473  13.563 -15.221
  552   1HG   LYS  76           HGR      LYS  76 -18.793  15.423 -15.296
  553   2HG   LYS  76           HGS      LYS  76 -19.601  15.103 -16.859
  554   1HD   LYS  76           HDS      LYS  76 -21.222  17.005 -15.693
  555   2HD   LYS  76           HDR      LYS  76 -19.631  17.477 -15.158
  556   1HE   LYS  76           HES      LYS  76 -20.534  18.436 -17.372
  557   2HE   LYS  76           HER      LYS  76 -18.839  17.881 -17.265
  558   1HZ   LYS  76           HZA      LYS  76 -20.853  15.981 -18.120
  559   2HZ   LYS  76           HZB      LYS  76 -20.391  17.129 -19.187
  560   3HZ   LYS  76           HZC      LYS  76 -19.285  16.105 -18.558
   
  No H/Q in entry =         560
  Start of MODEL   10
    1    H    PRO   1           HN       PRO   1  12.575   3.787   3.945
    2    HA   PRO   1           HA       PRO   1  14.499   4.298   2.691
    3   1HB   PRO   1           HBR      PRO   1  16.521   3.368   4.255
    4   2HB   PRO   1           HBS      PRO   1  16.241   4.937   3.861
    5   1HG   PRO   1           HGR      PRO   1  15.739   3.660   6.288
    6   2HG   PRO   1           HGS      PRO   1  15.847   5.294   5.959
    7   1HD   PRO   1           HDS      PRO   1  13.567   3.990   6.449
    8   2HD   PRO   1           HDR      PRO   1  13.669   5.471   5.721
    9    H    LYS   2           HN       LYS   2  12.885   1.867   3.719
   10    HA   LYS   2           HA       LYS   2  14.135   0.150   1.666
   11   1HB   LYS   2           HBS      LYS   2  14.826  -0.657   3.980
   12   2HB   LYS   2           HBR      LYS   2  13.100  -1.031   4.253
   13   1HG   LYS   2           HGS      LYS   2  13.134  -2.551   2.302
   14   2HG   LYS   2           HGR      LYS   2  14.868  -2.190   2.060
   15   1HD   LYS   2           HDR      LYS   2  14.023  -3.114   4.744
   16   2HD   LYS   2           HDS      LYS   2  13.843  -4.288   3.470
   17   1HE   LYS   2           HER      LYS   2  16.020  -4.222   4.820
   18   2HE   LYS   2           HES      LYS   2  16.140  -4.359   3.043
   19   1HZ   LYS   2           HZC      LYS   2  16.473  -1.964   2.991
   20   2HZ   LYS   2           HZA      LYS   2  16.450  -1.899   4.623
   21   3HZ   LYS   2           HZB      LYS   2  17.639  -2.714   3.855
   22    H    CYS   3           HN       CYS   3  12.688  -0.732   0.346
   23    HA   CYS   3           HA       CYS   3  10.113   0.393   0.446
   24   1HB   CYS   3           HBS      CYS   3  11.589   0.073  -1.536
   25   2HB   CYS   3           HBR      CYS   3  11.180  -1.666  -1.487
   26    HA   PRO   4           HA       PRO   4   7.906  -3.015   2.326
   27   1HB   PRO   4           HBR      PRO   4   5.587  -1.577   2.139
   28   2HB   PRO   4           HBS      PRO   4   6.460  -1.854   3.501
   29   1HG   PRO   4           HGS      PRO   4   6.149   0.517   2.308
   30   2HG   PRO   4           HGR      PRO   4   7.247   0.177   3.517
   31   1HD   PRO   4           HDS      PRO   4   7.700   0.404   0.735
   32   2HD   PRO   4           HDR      PRO   4   8.772   0.635   1.974
   33    H    LYS   5           HN       LYS   5   7.761  -1.653  -0.675
   34    HA   LYS   5           HA       LYS   5   5.458  -3.202  -1.603
   35   1HB   LYS   5           HBR      LYS   5   6.392  -0.789  -2.337
   36   2HB   LYS   5           HBS      LYS   5   7.238  -1.807  -3.537
   37   1HG   LYS   5           HGR      LYS   5   4.347  -2.390  -3.195
   38   2HG   LYS   5           HGS      LYS   5   4.729  -0.779  -3.869
   39   1HD   LYS   5           HDR      LYS   5   5.934  -1.686  -5.662
   40   2HD   LYS   5           HDS      LYS   5   5.960  -3.288  -4.977
   41   1HE   LYS   5           HES      LYS   5   3.245  -2.663  -5.166
   42   2HE   LYS   5           HER      LYS   5   3.987  -1.982  -6.641
   43   1HZ   LYS   5           HZC      LYS   5   4.443  -4.737  -5.740
   44   2HZ   LYS   5           HZA      LYS   5   3.266  -4.326  -6.796
   45   3HZ   LYS   5           HZB      LYS   5   4.834  -4.082  -7.185
   46    H    CYS   6           HN       CYS   6   8.785  -2.812  -2.889
   47    HA   CYS   6           HA       CYS   6   8.449  -5.428  -4.186
   48   1HB   CYS   6           HBS      CYS   6  10.379  -4.812  -5.531
   49   2HB   CYS   6           HBR      CYS   6   9.065  -3.606  -5.603
   50    H    ASP   7           HN       ASP   7   9.985  -4.093  -1.452
   51    HA   ASP   7           HA       ASP   7  11.497  -4.854   0.047
   52   1HB   ASP   7           HBR      ASP   7  11.669  -7.522  -1.301
   53   2HB   ASP   7           HBS      ASP   7  11.809  -7.087   0.427
   54    H    LYS   8           HN       LYS   8  12.413  -3.244  -1.814
   55    HA   LYS   8           HA       LYS   8  15.211  -4.262  -2.036
   56   1HB   LYS   8           HBR      LYS   8  13.789  -2.931  -4.009
   57   2HB   LYS   8           HBS      LYS   8  14.699  -1.623  -3.202
   58   1HG   LYS   8           HGR      LYS   8  16.650  -3.515  -3.476
   59   2HG   LYS   8           HGS      LYS   8  15.652  -3.845  -4.921
   60   1HD   LYS   8           HDS      LYS   8  16.991  -1.252  -4.161
   61   2HD   LYS   8           HDR      LYS   8  17.404  -2.329  -5.467
   62   1HE   LYS   8           HER      LYS   8  14.648  -1.226  -5.393
   63   2HE   LYS   8           HES      LYS   8  15.992  -0.163  -5.902
   64   1HZ   LYS   8           HZC      LYS   8  16.542  -2.183  -7.381
   65   2HZ   LYS   8           HZA      LYS   8  14.966  -2.566  -7.178
   66   3HZ   LYS   8           HZB      LYS   8  15.378  -1.133  -7.843
   67    H    GLU   9           HN       GLU   9  16.538  -1.912  -1.927
   68    HA   GLU   9           HA       GLU   9  15.515  -0.456   0.476
   69   1HB   GLU   9           HBR      GLU   9  18.278   0.033  -0.401
   70   2HB   GLU   9           HBS      GLU   9  17.573   0.032   1.116
   71   1HG   GLU   9           HGS      GLU   9  17.368  -2.477   1.056
   72   2HG   GLU   9           HGR      GLU   9  18.489  -2.486  -0.332
   73    H    VAL  10           HN       VAL  10  15.604   1.818   0.357
   74    HA   VAL  10           HA       VAL  10  15.077   2.623  -2.443
   75    HB   VAL  10           HB       VAL  10  13.793   3.338   0.193
   76   1HG1  VAL  10           HMG      VAL  10  14.023   5.354  -1.371
   77   2HG1  VAL  10           HMG      VAL  10  12.877   4.504  -2.434
   78   3HG1  VAL  10           HMG      VAL  10  12.396   4.942  -0.777
   79   1HG2  VAL  10           HMG      VAL  10  13.322   1.257  -1.493
   80   2HG2  VAL  10           HMG      VAL  10  12.144   1.955  -0.359
   81   3HG2  VAL  10           HMG      VAL  10  12.136   2.464  -2.063
   82    H    TYR  11           HN       TYR  11  16.316   4.029  -3.364
   83    HA   TYR  11           HA       TYR  11  18.346   5.490  -1.790
   84   1HB   TYR  11           HBS      TYR  11  18.795   4.274  -4.028
   85   2HB   TYR  11           HBR      TYR  11  17.944   5.649  -4.786
   86    HD1  TYR  11           HD1      TYR  11  20.448   5.479  -1.974
   87    HD2  TYR  11           HD2      TYR  11  19.514   6.975  -5.844
   88    HE1  TYR  11           HE1      TYR  11  22.545   6.759  -1.979
   89    HE2  TYR  11           HE2      TYR  11  21.597   8.272  -5.854
   90    HH   TYR  11           HH       TYR  11  22.920   9.415  -3.782
   91    H    PHE  12           HN       PHE  12  18.596   7.787  -2.127
   92    HA   PHE  12           HA       PHE  12  16.392   8.832  -0.938
   93   1HB   PHE  12           HBS      PHE  12  18.242  10.770  -2.341
   94   2HB   PHE  12           HBR      PHE  12  17.458  10.895  -0.739
   95    HD1  PHE  12           HD1      PHE  12  18.152   9.328   1.038
   96    HD2  PHE  12           HD2      PHE  12  20.525   9.973  -2.442
   97    HE1  PHE  12           HE1      PHE  12  20.119   8.510   2.253
   98    HE2  PHE  12           HE2      PHE  12  22.527   9.167  -1.234
   99    HZ   PHE  12           HZ       PHE  12  22.301   8.388   1.107
  100    H    ALA  13           HN       ALA  13  17.521  10.271  -4.016
  101    HA   ALA  13           HA       ALA  13  15.175  11.519  -4.520
  102   1HB   ALA  13           HMB      ALA  13  17.360  10.576  -6.394
  103   2HB   ALA  13           HMB      ALA  13  16.042  11.648  -6.930
  104   3HB   ALA  13           HMB      ALA  13  17.162  12.185  -5.652
  105    H    GLU  14           HN       GLU  14  15.554   8.225  -4.747
  106    HA   GLU  14           HA       GLU  14  13.191   7.974  -6.565
  107   1HB   GLU  14           HBR      GLU  14  13.826   5.646  -6.785
  108   2HB   GLU  14           HBS      GLU  14  14.956   6.736  -7.376
  109   1HG   GLU  14           HGR      GLU  14  16.502   6.471  -5.483
  110   2HG   GLU  14           HGS      GLU  14  15.255   5.496  -4.659
  111    H    ARG  15           HN       ARG  15  13.172   8.973  -3.862
  112    HA   ARG  15           HA       ARG  15  11.866   6.750  -2.433
  113   1HB   ARG  15           HBR      ARG  15  12.068   8.046  -0.456
  114   2HB   ARG  15           HBS      ARG  15  13.625   8.137  -1.325
  115   1HG   ARG  15           HGR      ARG  15  12.552  10.386  -2.264
  116   2HG   ARG  15           HGS      ARG  15  11.612  10.272  -0.749
  117   1HD   ARG  15           HDR      ARG  15  14.397   9.691  -0.290
  118   2HD   ARG  15           HDS      ARG  15  14.196  11.268  -1.101
  119    HE   ARG  15           HE       ARG  15  12.803  11.976   0.750
  120   1HH1  ARG  15           HH1      ARG  15  14.166   8.763   1.234
  121   2HH1  ARG  15           HH1      ARG  15  14.158   8.899   2.961
  122   1HH2  ARG  15           HH2      ARG  15  12.870  12.148   3.008
  123   2HH2  ARG  15           HH2      ARG  15  13.402  10.806   3.966
  124    H    VAL  16           HN       VAL  16   9.833   6.828  -1.569
  125    HA   VAL  16           HA       VAL  16   8.462   9.380  -1.541
  126    HB   VAL  16           HB       VAL  16   6.343   8.645  -2.356
  127   1HG1  VAL  16           HMG      VAL  16   7.838   9.559  -4.032
  128   2HG1  VAL  16           HMG      VAL  16   8.503   7.942  -4.360
  129   3HG1  VAL  16           HMG      VAL  16   6.801   8.297  -4.741
  130   1HG2  VAL  16           HMG      VAL  16   6.493   6.283  -1.646
  131   2HG2  VAL  16           HMG      VAL  16   5.884   6.485  -3.306
  132   3HG2  VAL  16           HMG      VAL  16   7.563   5.958  -3.030
  133    H    THR  17           HN       THR  17   6.984   9.548   0.156
  134    HA   THR  17           HA       THR  17   7.622   7.569   2.283
  135    HB   THR  17           HB       THR  17   6.832  10.458   2.848
  136    HG1  THR  17           HG1      THR  17   9.260   9.364   2.305
  137   1HG2  THR  17           HMG      THR  17   8.112   8.249   4.339
  138   2HG2  THR  17           HMG      THR  17   8.797   9.873   4.603
  139   3HG2  THR  17           HMG      THR  17   7.065   9.578   4.898
  140    H    SER  18           HN       SER  18   6.096   6.838   3.650
  141    HA   SER  18           HA       SER  18   3.426   7.686   3.846
  142   1HB   SER  18           HBS      SER  18   3.350   7.072   1.435
  143   2HB   SER  18           HBR      SER  18   3.702   5.383   1.895
  144    HG   SER  18           HG       SER  18   1.549   7.072   2.891
  145    H    LEU  19           HN       LEU  19   2.527   6.729   5.524
  146    HA   LEU  19           HA       LEU  19   2.521   5.625   7.524
  147   1HB   LEU  19           HBR      LEU  19   3.507   3.385   5.732
  148   2HB   LEU  19           HBS      LEU  19   2.839   3.194   7.379
  149    HG   LEU  19           HG       LEU  19   1.148   2.562   5.845
  150   1HD1  LEU  19           HMD      LEU  19   0.853   4.728   7.617
  151   2HD1  LEU  19           HMD      LEU  19  -0.024   5.191   6.136
  152   3HD1  LEU  19           HMD      LEU  19  -0.426   3.670   6.970
  153   1HD2  LEU  19           HMD      LEU  19   2.368   3.950   3.999
  154   2HD2  LEU  19           HMD      LEU  19   0.607   3.699   3.896
  155   3HD2  LEU  19           HMD      LEU  19   1.252   5.248   4.495
  156    H    GLY  20           HN       GLY  20   4.838   7.179   6.801
  157   1HA   GLY  20           HAS      GLY  20   6.797   7.775   7.854
  158   2HA   GLY  20           HAR      GLY  20   6.270   6.683   9.163
  159    H    LYS  21           HN       LYS  21   6.573   5.254   6.044
  160    HA   LYS  21           HA       LYS  21   9.456   4.774   6.315
  161   1HB   LYS  21           HBS      LYS  21   8.462   2.731   7.268
  162   2HB   LYS  21           HBR      LYS  21   7.497   2.514   5.780
  163   1HG   LYS  21           HGS      LYS  21   9.765   2.479   4.545
  164   2HG   LYS  21           HGR      LYS  21  10.491   2.246   6.162
  165   1HD   LYS  21           HDR      LYS  21   8.221   0.509   5.341
  166   2HD   LYS  21           HDS      LYS  21   9.730   0.255   4.509
  167   1HE   LYS  21           HER      LYS  21  10.758   0.179   6.886
  168   2HE   LYS  21           HES      LYS  21   9.073  -0.073   7.422
  169   1HZ   LYS  21           HZB      LYS  21   9.085  -1.888   5.674
  170   2HZ   LYS  21           HZC      LYS  21  10.715  -1.781   5.714
  171   3HZ   LYS  21           HZA      LYS  21   9.889  -2.176   7.066
  172    H    ASP  22           HN       ASP  22  10.451   4.325   4.314
  173    HA   ASP  22           HA       ASP  22   9.106   5.875   2.291
  174   1HB   ASP  22           HBS      ASP  22  11.911   4.822   2.091
  175   2HB   ASP  22           HBR      ASP  22  11.192   6.295   1.376
  176    H    TRP  23           HN       TRP  23   9.454   5.372  -0.045
  177    HA   TRP  23           HA       TRP  23   9.457   2.471  -0.685
  178   1HB   TRP  23           HBR      TRP  23   7.475   4.522  -1.675
  179   2HB   TRP  23           HBS      TRP  23   7.437   2.748  -1.923
  180    HD1  TRP  23           HD1      TRP  23   6.892   5.427   0.809
  181    HE1  TRP  23           HE1      TRP  23   5.168   4.526   2.492
  182    HE3  TRP  23           HE3      TRP  23   6.274   0.784  -1.169
  183    HZ2  TRP  23           HZ2      TRP  23   3.605   2.216   2.781
  184    HZ3  TRP  23           HZ3      TRP  23   4.640  -0.724  -0.139
  185    HH2  TRP  23           HH2      TRP  23   3.279  -0.007   1.754
  186    H    HIS  24           HN       ZHI  24   9.280   2.300  -3.202
  187    HA   HIS  24           HA       ZHI  24  11.043   4.279  -4.465
  188   1HB   HIS  24           HBS      ZHI  24   9.848   1.725  -5.636
  189   2HB   HIS  24           HBR      ZHI  24  11.063   2.782  -6.413
  190    HD2  HIS  24           HD2      ZHI  24  13.246   3.142  -4.185
  191    HE1  HIS  24           HE1      ZHI  24  12.803  -0.828  -2.956
  192    HE2  HIS  24           HE2      ZHI  24  14.424   1.093  -3.129
  193    H    ARG  25           HN       ARG  25  10.566   5.432  -6.314
  194    HA   ARG  25           HA       ARG  25   8.118   6.807  -6.078
  195   1HB   ARG  25           HBR      ARG  25  10.506   7.325  -7.304
  196   2HB   ARG  25           HBS      ARG  25   9.455   6.993  -8.709
  197   1HG   ARG  25           HGS      ARG  25   7.890   8.689  -7.230
  198   2HG   ARG  25           HGR      ARG  25   9.529   9.307  -6.883
  199   1HD   ARG  25           HDS      ARG  25   9.114  10.472  -8.766
  200   2HD   ARG  25           HDR      ARG  25   9.773   8.985  -9.504
  201    HE   ARG  25           HE       ARG  25   6.919   8.833  -9.164
  202   1HH1  ARG  25           HH1      ARG  25   9.337  10.483 -11.131
  203   2HH1  ARG  25           HH1      ARG  25   8.361  10.438 -12.562
  204   1HH2  ARG  25           HH2      ARG  25   5.727   8.679 -11.086
  205   2HH2  ARG  25           HH2      ARG  25   6.318   9.420 -12.536
  206    HA   PRO  26           HA       PRO  26   6.846   4.403 -10.067
  207   1HB   PRO  26           HBS      PRO  26   8.446   2.125 -10.222
  208   2HB   PRO  26           HBR      PRO  26   8.166   3.240 -11.395
  209   1HG   PRO  26           HGR      PRO  26  10.470   2.930 -10.098
  210   2HG   PRO  26           HGS      PRO  26  10.034   4.288 -10.965
  211   1HD   PRO  26           HDS      PRO  26  10.132   3.947  -8.175
  212   2HD   PRO  26           HDR      PRO  26  10.145   5.356  -9.041
  213    H    CYS  27           HN       CYS  27   7.891   2.651  -7.319
  214    HA   CYS  27           HA       CYS  27   6.282   0.397  -7.683
  215   1HB   CYS  27           HBS      CYS  27   7.752   1.614  -5.396
  216   2HB   CYS  27           HBR      CYS  27   6.524   0.367  -5.029
  217    H    LEU  28           HN       LEU  28   5.644   3.332  -5.753
  218    HA   LEU  28           HA       LEU  28   3.470   2.243  -4.322
  219   1HB   LEU  28           HBS      LEU  28   5.020   4.262  -3.908
  220   2HB   LEU  28           HBR      LEU  28   3.857   5.175  -4.911
  221    HG   LEU  28           HG       LEU  28   2.150   4.110  -3.138
  222   1HD1  LEU  28           HMD      LEU  28   4.805   3.739  -1.997
  223   2HD1  LEU  28           HMD      LEU  28   3.785   4.790  -0.985
  224   3HD1  LEU  28           HMD      LEU  28   3.221   3.158  -1.422
  225   1HD2  LEU  28           HMD      LEU  28   3.577   6.598  -3.563
  226   2HD2  LEU  28           HMD      LEU  28   1.888   6.326  -3.066
  227   3HD2  LEU  28           HMD      LEU  28   3.180   6.376  -1.839
  228    H    LYS  29           HN       LYS  29   1.949   1.271  -5.545
  229    HA   LYS  29           HA       LYS  29   0.359   2.909  -7.440
  230   1HB   LYS  29           HBR      LYS  29   1.878   0.373  -8.118
  231   2HB   LYS  29           HBS      LYS  29   0.563   1.061  -9.113
  232   1HG   LYS  29           HGS      LYS  29   2.298   3.210  -8.724
  233   2HG   LYS  29           HGR      LYS  29   3.389   1.812  -8.947
  234   1HD   LYS  29           HDR      LYS  29   1.935   1.266 -10.973
  235   2HD   LYS  29           HDS      LYS  29   1.233   2.852 -10.798
  236   1HE   LYS  29           HES      LYS  29   2.889   3.566 -12.117
  237   2HE   LYS  29           HER      LYS  29   3.948   3.346 -10.695
  238   1HZ   LYS  29           HZC      LYS  29   3.693   0.882 -11.820
  239   2HZ   LYS  29           HZA      LYS  29   3.880   1.882 -13.097
  240   3HZ   LYS  29           HZB      LYS  29   4.997   1.862 -11.905
  241    H    CYS  30           HN       CYS  30  -1.711   2.309  -7.585
  242    HA   CYS  30           HA       CYS  30  -2.865   0.209  -5.953
  243   1HB   CYS  30           HBS      CYS  30  -3.975   2.363  -6.829
  244   2HB   CYS  30           HBR      CYS  30  -4.195   1.438  -8.344
  245    H    GLU  31           HN       GLU  31  -2.872  -1.849  -6.338
  246    HA   GLU  31           HA       GLU  31  -2.558  -2.841  -9.142
  247   1HB   GLU  31           HBS      GLU  31  -2.216  -4.987  -7.997
  248   2HB   GLU  31           HBR      GLU  31  -0.934  -3.910  -7.907
  249   1HG   GLU  31           HGR      GLU  31  -2.157  -3.280  -5.511
  250   2HG   GLU  31           HGS      GLU  31  -2.852  -4.895  -5.821
  251    H    LYS  32           HN       LYS  32  -4.890  -1.546  -7.924
  252    HA   LYS  32           HA       LYS  32  -6.801  -3.801  -8.313
  253   1HB   LYS  32           HBS      LYS  32  -6.484  -2.164  -6.111
  254   2HB   LYS  32           HBR      LYS  32  -7.805  -1.370  -7.013
  255   1HG   LYS  32           HGS      LYS  32  -8.228  -4.239  -6.918
  256   2HG   LYS  32           HGR      LYS  32  -7.980  -3.591  -5.271
  257   1HD   LYS  32           HDR      LYS  32  -9.663  -1.758  -6.179
  258   2HD   LYS  32           HDS      LYS  32 -10.121  -3.018  -7.293
  259   1HE   LYS  32           HES      LYS  32 -10.028  -3.394  -4.295
  260   2HE   LYS  32           HER      LYS  32 -11.472  -2.832  -5.186
  261   1HZ   LYS  32           HZA      LYS  32 -10.775  -5.005  -6.541
  262   2HZ   LYS  32           HZB      LYS  32 -10.332  -5.452  -5.033
  263   3HZ   LYS  32           HZC      LYS  32 -11.871  -4.995  -5.331
  264    H    CYS  33           HN       CYS  33  -6.239  -0.312  -8.833
  265    HA   CYS  33           HA       CYS  33  -7.938  -0.580 -11.263
  266   1HB   CYS  33           HBS      CYS  33  -8.474   1.745 -11.124
  267   2HB   CYS  33           HBR      CYS  33  -8.916   0.888  -9.624
  268    H    GLY  34           HN       GLY  34  -4.784  -0.064 -10.094
  269   1HA   GLY  34           HAR      GLY  34  -2.794   0.256 -11.217
  270   2HA   GLY  34           HAS      GLY  34  -3.719   0.289 -12.742
  271    H    LYS  35           HN       LYS  35  -4.086   2.378  -9.876
  272    HA   LYS  35           HA       LYS  35  -3.298   4.745 -11.499
  273   1HB   LYS  35           HBR      LYS  35  -5.421   4.515  -9.833
  274   2HB   LYS  35           HBS      LYS  35  -4.176   5.081  -8.684
  275   1HG   LYS  35           HGS      LYS  35  -5.510   6.935  -9.674
  276   2HG   LYS  35           HGR      LYS  35  -3.763   7.058 -10.031
  277   1HD   LYS  35           HDR      LYS  35  -4.877   5.568 -12.115
  278   2HD   LYS  35           HDS      LYS  35  -6.073   6.795 -11.800
  279   1HE   LYS  35           HES      LYS  35  -4.605   7.637 -13.470
  280   2HE   LYS  35           HER      LYS  35  -4.231   8.499 -11.951
  281   1HZ   LYS  35           HZA      LYS  35  -2.739   6.186 -12.987
  282   2HZ   LYS  35           HZB      LYS  35  -2.260   7.743 -13.111
  283   3HZ   LYS  35           HZC      LYS  35  -2.382   7.041 -11.641
  284    H    THR  36           HN       THR  36  -1.306   5.429 -11.324
  285    HA   THR  36           HA       THR  36   0.612   4.526  -9.382
  286    HB   THR  36           HB       THR  36   0.623   6.979 -11.231
  287    HG1  THR  36           HG1      THR  36   0.625   5.549 -12.358
  288   1HG2  THR  36           HMG      THR  36   2.413   6.325  -9.092
  289   2HG2  THR  36           HMG      THR  36   3.259   6.120 -10.646
  290   3HG2  THR  36           HMG      THR  36   2.486   7.676 -10.251
  291    H    LEU  37           HN       LEU  37   1.234   5.372  -7.492
  292    HA   LEU  37           HA       LEU  37  -0.818   7.102  -6.251
  293   1HB   LEU  37           HBR      LEU  37   1.177   5.134  -5.088
  294   2HB   LEU  37           HBS      LEU  37  -0.079   6.020  -4.177
  295    HG   LEU  37           HG       LEU  37  -0.600   3.969  -6.346
  296   1HD1  LEU  37           HMD      LEU  37  -0.813   3.797  -3.322
  297   2HD1  LEU  37           HMD      LEU  37  -1.381   2.563  -4.476
  298   3HD1  LEU  37           HMD      LEU  37   0.356   2.935  -4.354
  299   1HD2  LEU  37           HMD      LEU  37  -2.168   6.053  -5.343
  300   2HD2  LEU  37           HMD      LEU  37  -2.734   4.623  -6.245
  301   3HD2  LEU  37           HMD      LEU  37  -2.725   4.608  -4.463
  302    H    THR  38           HN       THR  38  -0.154   9.142  -6.624
  303    HA   THR  38           HA       THR  38   2.391  10.256  -5.823
  304    HB   THR  38           HB       THR  38   0.599  11.435  -7.245
  305    HG1  THR  38           HG1      THR  38   1.483  12.952  -6.811
  306   1HG2  THR  38           HMG      THR  38  -1.129  10.954  -5.176
  307   2HG2  THR  38           HMG      THR  38  -0.632  12.636  -4.861
  308   3HG2  THR  38           HMG      THR  38  -1.347  12.198  -6.433
  309    H    SER  39           HN       SER  39   1.784  12.129  -3.965
  310    HA   SER  39           HA       SER  39   1.733  10.928  -1.452
  311   1HB   SER  39           HBS      SER  39   1.590  13.610  -2.499
  312   2HB   SER  39           HBR      SER  39   0.484  13.422  -1.107
  313    HG   SER  39           HG       SER  39   3.187  13.702  -1.269
  314    H    GLY  40           HN       GLY  40  -1.027  12.857  -2.657
  315   1HA   GLY  40           HAR      GLY  40  -3.274  12.358  -2.880
  316   2HA   GLY  40           HAS      GLY  40  -2.636  10.734  -3.250
  317    H    GLY  41           HN       GLY  41  -4.825  10.218  -2.319
  318   1HA   GLY  41           HAR      GLY  41  -4.370   9.496   0.550
  319   2HA   GLY  41           HAS      GLY  41  -5.985   9.654  -0.190
  320    H    HIS  42           HN       HIS  42  -2.884   7.987  -0.933
  321    HA   HIS  42           HA       HIS  42  -4.333   5.506  -1.525
  322   1HB   HIS  42           HBS      HIS  42  -2.263   4.511  -2.108
  323   2HB   HIS  42           HBR      HIS  42  -2.293   6.147  -2.823
  324    HD1  HIS  42           HD1      HIS  42  -0.450   4.068  -0.244
  325    HD2  HIS  42           HD2      HIS  42  -0.442   7.939  -1.778
  326    HE1  HIS  42           HE1      HIS  42   1.702   5.116   0.496
  327    HE2  HIS  42           HE2      HIS  42   1.709   7.464  -0.419
  328    H    ALA  43           HN       ALA  43  -2.645   3.604  -0.586
  329    HA   ALA  43           HA       ALA  43  -2.017   3.835   2.154
  330   1HB   ALA  43           HMB      ALA  43  -4.627   2.409   1.579
  331   2HB   ALA  43           HMB      ALA  43  -3.695   2.255   3.090
  332   3HB   ALA  43           HMB      ALA  43  -4.370   3.835   2.616
  333    H    GLU  44           HN       GLU  44  -2.137   1.284   3.035
  334    HA   GLU  44           HA       GLU  44  -0.854  -0.428   0.975
  335   1HB   GLU  44           HBR      GLU  44   1.171  -0.481   2.334
  336   2HB   GLU  44           HBS      GLU  44   0.829   0.994   1.610
  337   1HG   GLU  44           HGS      GLU  44   1.508   1.737   3.655
  338   2HG   GLU  44           HGR      GLU  44  -0.265   1.777   3.861
  339    H    HIS  45           HN       HIS  45  -1.201  -2.502   1.353
  340    HA   HIS  45           HA       HIS  45  -1.784  -3.394   4.134
  341   1HB   HIS  45           HBS      HIS  45  -3.834  -3.317   2.720
  342   2HB   HIS  45           HBR      HIS  45  -3.050  -4.423   1.554
  343    HD1  HIS  45           HD1      HIS  45  -4.650  -4.395   4.996
  344    HD2  HIS  45           HD2      HIS  45  -3.110  -7.052   2.183
  345    HE1  HIS  45           HE1      HIS  45  -5.351  -6.687   5.731
  346    HE2  HIS  45           HE2      HIS  45  -4.390  -8.303   4.053
  347    H    GLU  46           HN       GLU  46  -0.190  -4.592   4.831
  348    HA   GLU  46           HA       GLU  46   1.582  -6.048   4.933
  349   1HB   GLU  46           HBR      GLU  46  -0.648  -7.273   3.974
  350   2HB   GLU  46           HBS      GLU  46   0.384  -7.504   2.670
  351   1HG   GLU  46           HGR      GLU  46   1.310  -9.341   3.645
  352   2HG   GLU  46           HGS      GLU  46   2.027  -8.172   4.789
  353    H    GLY  47           HN       GLY  47   1.859  -3.779   3.140
  354   1HA   GLY  47           HAR      GLY  47   4.077  -3.284   2.426
  355   2HA   GLY  47           HAS      GLY  47   4.190  -4.904   1.687
  356    H    LYS  48           HN       LYS  48   1.346  -4.477   0.642
  357    HA   LYS  48           HA       LYS  48   2.317  -3.293  -1.912
  358   1HB   LYS  48           HBR      LYS  48   0.389  -4.533  -2.911
  359   2HB   LYS  48           HBS      LYS  48   1.667  -5.568  -2.215
  360   1HG   LYS  48           HGR      LYS  48  -0.609  -4.887  -0.415
  361   2HG   LYS  48           HGS      LYS  48  -0.976  -5.962  -1.794
  362   1HD   LYS  48           HDR      LYS  48   1.321  -6.457   0.068
  363   2HD   LYS  48           HDS      LYS  48  -0.287  -7.006   0.451
  364   1HE   LYS  48           HES      LYS  48   1.422  -7.776  -1.919
  365   2HE   LYS  48           HER      LYS  48   0.907  -8.800  -0.549
  366   1HZ   LYS  48           HZA      LYS  48  -1.400  -8.327  -1.351
  367   2HZ   LYS  48           HZB      LYS  48  -0.741  -7.745  -2.729
  368   3HZ   LYS  48           HZC      LYS  48  -0.503  -9.303  -2.303
  369    HA   PRO  49           HA       PRO  49  -0.449  -0.021  -0.730
  370   1HB   PRO  49           HBR      PRO  49   0.472   1.671  -2.595
  371   2HB   PRO  49           HBS      PRO  49   1.017   1.593  -1.048
  372   1HG   PRO  49           HGS      PRO  49   2.257   0.667  -3.374
  373   2HG   PRO  49           HGR      PRO  49   2.955   1.055  -1.909
  374   1HD   PRO  49           HDS      PRO  49   2.547  -1.437  -2.789
  375   2HD   PRO  49           HDR      PRO  49   2.852  -1.028  -1.217
  376    H    TYR  50           HN       TYR  50  -2.325   0.898  -1.385
  377    HA   TYR  50           HA       TYR  50  -2.946   0.686  -4.225
  378   1HB   TYR  50           HBR      TYR  50  -5.001  -0.262  -2.197
  379   2HB   TYR  50           HBS      TYR  50  -5.156  -0.221  -3.976
  380    HD1  TYR  50           HD1      TYR  50  -2.804  -1.708  -1.426
  381    HD2  TYR  50           HD2      TYR  50  -5.123  -2.299  -4.940
  382    HE1  TYR  50           HE1      TYR  50  -2.242  -4.100  -1.386
  383    HE2  TYR  50           HE2      TYR  50  -4.634  -4.703  -4.869
  384    HH   TYR  50           HH       TYR  50  -3.228  -6.192  -2.112
  385    H    CYS  51           HN       CYS  51  -5.310   1.810  -4.401
  386    HA   CYS  51           HA       CYS  51  -5.555   4.319  -3.180
  387   1HB   CYS  51           HBS      CYS  51  -7.771   2.402  -3.951
  388   2HB   CYS  51           HBR      CYS  51  -7.987   4.122  -3.527
  389    H    ASN  52           HN       ASN  52  -6.062   5.070  -1.270
  390    HA   ASN  52           HA       ASN  52  -6.768   3.427   0.991
  391   1HB   ASN  52           HBR      ASN  52  -5.654   5.709   1.044
  392   2HB   ASN  52           HBS      ASN  52  -7.287   6.380   0.765
  393   1HD2  ASN  52           HD2      ASN  52  -6.145   5.649   4.472
  394   2HD2  ASN  52           HD2      ASN  52  -5.104   5.899   3.110
  395    H    HIS  53           HN       HIS  53  -8.501   5.200  -1.509
  396    HA   HIS  53           HA       HIS  53 -10.680   3.280  -1.233
  397   1HB   HIS  53           HBS      HIS  53 -11.147   6.249  -0.761
  398   2HB   HIS  53           HBR      HIS  53 -12.415   5.170  -1.412
  399    HD1  HIS  53           HD1      HIS  53 -13.839   4.026   0.344
  400    HD2  HIS  53           HD2      HIS  53 -10.227   5.437   1.862
  401    HE1  HIS  53           HE1      HIS  53 -13.981   3.793   2.835
  402    HE2  HIS  53           HE2      HIS  53 -11.798   4.647   3.760
  403    HA   PRO  54           HA       PRO  54 -12.617   3.266  -1.946
  404   1HB   PRO  54           HBR      PRO  54 -13.913   1.876  -3.822
  405   2HB   PRO  54           HBS      PRO  54 -14.418   3.318  -3.218
  406   1HG   PRO  54           HGR      PRO  54 -13.435   2.801  -5.751
  407   2HG   PRO  54           HGS      PRO  54 -14.145   4.197  -5.175
  408   1HD   PRO  54           HDS      PRO  54 -11.457   3.723  -5.594
  409   2HD   PRO  54           HDR      PRO  54 -12.172   5.137  -5.115
  410    H    CYS  55           HN       CYS  55 -10.254   2.160  -3.952
  411    HA   CYS  55           HA       CYS  55 -10.954  -0.466  -4.299
  412   1HB   CYS  55           HBS      CYS  55  -8.142   0.659  -4.191
  413   2HB   CYS  55           HBR      CYS  55  -8.632  -0.897  -4.921
  414    H    TYR  56           HN       TYR  56  -8.849   0.853  -1.736
  415    HA   TYR  56           HA       TYR  56  -8.299  -1.629  -0.434
  416   1HB   TYR  56           HBR      TYR  56  -6.990   0.378   0.012
  417   2HB   TYR  56           HBS      TYR  56  -8.430   1.201   0.678
  418    HD1  TYR  56           HD1      TYR  56  -9.536   0.031   2.759
  419    HD2  TYR  56           HD2      TYR  56  -5.553  -0.707   1.465
  420    HE1  TYR  56           HE1      TYR  56  -8.940  -0.694   5.030
  421    HE2  TYR  56           HE2      TYR  56  -4.944  -1.433   3.728
  422    HH   TYR  56           HH       TYR  56  -6.143  -0.704   6.244
  423    H    SER  57           HN       SER  57 -10.759   0.906   0.173
  424    HA   SER  57           HA       SER  57 -11.837  -0.402   2.449
  425   1HB   SER  57           HBS      SER  57 -13.449   1.276   2.519
  426   2HB   SER  57           HBR      SER  57 -12.007   2.064   1.815
  427    HG   SER  57           HG       SER  57 -14.470   1.111   0.627
  428    H    ALA  58           HN       ALA  58 -12.452  -0.693  -0.972
  429    HA   ALA  58           HA       ALA  58 -15.122  -1.743  -0.680
  430   1HB   ALA  58           HMB      ALA  58 -13.200  -1.519  -3.007
  431   2HB   ALA  58           HMB      ALA  58 -14.847  -2.189  -3.142
  432   3HB   ALA  58           HMB      ALA  58 -14.612  -0.498  -2.632
  433    H    MET  59           HN       MET  59 -11.938  -3.133  -1.513
  434    HA   MET  59           HA       MET  59 -13.112  -5.762  -1.874
  435   1HB   MET  59           HBS      MET  59 -11.312  -4.823  -3.330
  436   2HB   MET  59           HBR      MET  59 -10.194  -4.935  -1.947
  437   1HG   MET  59           HGR      MET  59  -9.792  -6.933  -3.113
  438   2HG   MET  59           HGS      MET  59 -10.908  -7.440  -1.824
  439   1HE   MET  59           HME      MET  59  -9.960  -8.287  -4.777
  440   2HE   MET  59           HME      MET  59 -11.346  -8.816  -5.763
  441   3HE   MET  59           HME      MET  59 -10.701  -7.166  -5.948
  442    H    PHE  60           HN       PHE  60 -11.000  -4.154   0.478
  443    HA   PHE  60           HA       PHE  60 -10.327  -6.624   1.797
  444   1HB   PHE  60           HBR      PHE  60  -9.652  -3.726   2.256
  445   2HB   PHE  60           HBS      PHE  60  -9.445  -4.886   3.602
  446    HD1  PHE  60           HD2      PHE  60  -8.486  -7.327   2.147
  447    HD2  PHE  60           HD1      PHE  60  -7.619  -3.204   1.514
  448    HE1  PHE  60           HE2      PHE  60  -6.292  -7.943   1.187
  449    HE2  PHE  60           HE1      PHE  60  -5.434  -3.787   0.561
  450    HZ   PHE  60           HZ       PHE  60  -4.743  -6.151   0.451
  451    H    GLY  61           HN       GLY  61 -12.190  -7.574   2.514
  452   1HA   GLY  61           HAR      GLY  61 -13.136  -8.182   4.608
  453   2HA   GLY  61           HAS      GLY  61 -13.106  -6.468   5.108
  454    HA   PRO  62           HA       PRO  62 -17.063  -7.473   2.422
  455   1HB   PRO  62           HBR      PRO  62 -17.627 -10.108   2.891
  456   2HB   PRO  62           HBS      PRO  62 -17.343  -9.411   1.432
  457   1HG   PRO  62           HGS      PRO  62 -15.745 -11.169   2.697
  458   2HG   PRO  62           HGR      PRO  62 -15.383 -10.336   1.298
  459   1HD   PRO  62           HDS      PRO  62 -14.466  -9.849   3.904
  460   2HD   PRO  62           HDR      PRO  62 -13.843  -9.295   2.474
  461    H    LYS  63           HN       LYS  63 -18.267  -6.266   3.629
  462    HA   LYS  63           HA       LYS  63 -18.069  -6.505   6.429
  463   1HB   LYS  63           HBR      LYS  63 -18.496  -4.397   5.169
  464   2HB   LYS  63           HBS      LYS  63 -20.168  -4.958   4.876
  465   1HG   LYS  63           HGR      LYS  63 -20.149  -3.396   6.735
  466   2HG   LYS  63           HGS      LYS  63 -20.537  -5.033   7.337
  467   1HD   LYS  63           HDS      LYS  63 -17.913  -5.124   7.696
  468   2HD   LYS  63           HDR      LYS  63 -18.086  -3.392   7.717
  469   1HE   LYS  63           HES      LYS  63 -20.121  -4.143   9.382
  470   2HE   LYS  63           HER      LYS  63 -18.860  -5.365   9.712
  471   1HZ   LYS  63           HZA      LYS  63 -17.330  -3.429   9.928
  472   2HZ   LYS  63           HZB      LYS  63 -18.638  -2.452   9.939
  473   3HZ   LYS  63           HZC      LYS  63 -18.444  -3.571  11.113
  474    H    GLY  64           HN       GLY  64 -18.720  -8.640   6.914
  475   1HA   GLY  64           HAR      GLY  64 -20.198 -10.169   7.811
  476   2HA   GLY  64           HAS      GLY  64 -21.182  -8.716   8.131
  477    H    PHE  65           HN       PHE  65 -22.929 -10.342   7.861
  478    HA   PHE  65           HA       PHE  65 -24.270  -9.582   5.517
  479   1HB   PHE  65           HBS      PHE  65 -24.868 -11.909   4.648
  480   2HB   PHE  65           HBR      PHE  65 -23.257 -11.277   4.203
  481    HD1  PHE  65           HD1      PHE  65 -21.285 -12.035   5.348
  482    HD2  PHE  65           HD2      PHE  65 -25.029 -13.961   6.002
  483    HE1  PHE  65           HE1      PHE  65 -20.099 -14.008   6.197
  484    HE2  PHE  65           HE2      PHE  65 -23.857 -15.961   6.864
  485    HZ   PHE  65           HZ       PHE  65 -21.379 -15.995   6.895
  486    H    GLY  66           HN       GLY  66 -25.510  -8.850   7.286
  487   1HA   GLY  66           HAR      GLY  66 -26.257 -10.417   9.483
  488   2HA   GLY  66           HAS      GLY  66 -27.065  -8.910   8.979
  489    H    ARG  67           HN       ARG  67 -28.280 -11.259  10.128
  490    HA   ARG  67           HA       ARG  67 -30.051 -12.172   7.925
  491   1HB   ARG  67           HBS      ARG  67 -31.172 -13.388   9.931
  492   2HB   ARG  67           HBR      ARG  67 -29.658 -14.025   9.226
  493   1HG   ARG  67           HGS      ARG  67 -28.383 -13.403  11.069
  494   2HG   ARG  67           HGR      ARG  67 -29.573 -12.183  11.607
  495   1HD   ARG  67           HDS      ARG  67 -31.149 -14.141  11.989
  496   2HD   ARG  67           HDR      ARG  67 -29.706 -15.180  11.815
  497    HE   ARG  67           HE       ARG  67 -29.754 -12.995  13.826
  498   1HH1  ARG  67           HH1      ARG  67 -29.812 -16.448  13.114
  499   2HH1  ARG  67           HH1      ARG  67 -29.198 -16.890  14.672
  500   1HH2  ARG  67           HH2      ARG  67 -28.832 -13.604  15.806
  501   2HH2  ARG  67           HH2      ARG  67 -28.644 -15.282  16.195
  502    H    GLY  68           HN       GLY  68 -29.944 -10.328  10.957
  503   1HA   GLY  68           HAR      GLY  68 -31.241  -8.139  10.356
  504   2HA   GLY  68           HAS      GLY  68 -32.656  -9.221  10.445
  505    H    GLY  69           HN       GLY  69 -30.209  -7.497  12.202
  506   1HA   GLY  69           HAR      GLY  69 -31.846  -7.823  14.646
  507   2HA   GLY  69           HAS      GLY  69 -30.086  -8.080  14.787
  508    H    ALA  70           HN       ALA  70 -32.642  -5.802  14.590
  509    HA   ALA  70           HA       ALA  70 -30.984  -3.488  15.099
  510   1HB   ALA  70           HMB      ALA  70 -31.892  -4.132  12.308
  511   2HB   ALA  70           HMB      ALA  70 -31.793  -2.439  12.858
  512   3HB   ALA  70           HMB      ALA  70 -30.340  -3.470  12.885
  513    H    GLU  71           HN       GLU  71 -32.525  -3.449  16.795
  514    HA   GLU  71           HA       GLU  71 -35.119  -2.201  16.118
  515   1HB   GLU  71           HBR      GLU  71 -34.631  -4.996  17.064
  516   2HB   GLU  71           HBS      GLU  71 -35.868  -4.129  17.795
  517   1HG   GLU  71           HGR      GLU  71 -37.304  -4.710  16.125
  518   2HG   GLU  71           HGS      GLU  71 -36.358  -3.546  15.160
  519    H    SER  72           HN       SER  72 -34.223  -0.449  17.269
  520    HA   SER  72           HA       SER  72 -33.188  -0.899  19.961
  521   1HB   SER  72           HBS      SER  72 -31.919   0.584  18.652
  522   2HB   SER  72           HBR      SER  72 -33.353   1.532  18.167
  523    HG   SER  72           HG       SER  72 -33.635   2.356  20.164
  524    H    HIS  73           HN       HIS  73 -33.860   0.351  21.788
  525    HA   HIS  73           HA       HIS  73 -36.755   1.041  21.756
  526   1HB   HIS  73           HBS      HIS  73 -35.234   0.920  24.342
  527   2HB   HIS  73           HBR      HIS  73 -36.953   0.580  23.994
  528    HD1  HIS  73           HD1      HIS  73 -34.011  -1.198  24.987
  529    HD2  HIS  73           HD2      HIS  73 -37.019  -1.897  22.192
  530    HE1  HIS  73           HE1      HIS  73 -33.873  -3.628  24.393
  531    HE2  HIS  73           HE2      HIS  73 -35.675  -4.053  22.686
  532    H    THR  74           HN       THR  74 -37.375   3.060  22.063
  533    HA   THR  74           HA       THR  74 -35.240   5.094  22.493
  534    HB   THR  74           HB       THR  74 -37.623   5.518  20.633
  535    HG1  THR  74           HG1      THR  74 -35.118   4.578  20.153
  536   1HG2  THR  74           HMG      THR  74 -35.394   7.111  21.419
  537   2HG2  THR  74           HMG      THR  74 -35.228   6.727  19.685
  538   3HG2  THR  74           HMG      THR  74 -36.716   7.500  20.289
  539    H    PHE  75           HN       PHE  75 -35.707   5.513  24.604
  540    HA   PHE  75           HA       PHE  75 -38.274   6.964  25.010
  541   1HB   PHE  75           HBR      PHE  75 -37.626   4.831  26.564
  542   2HB   PHE  75           HBS      PHE  75 -36.782   6.132  27.453
  543    HD1  PHE  75           HD1      PHE  75 -39.968   5.772  25.610
  544    HD2  PHE  75           HD2      PHE  75 -38.122   6.911  29.278
  545    HE1  PHE  75           HE1      PHE  75 -42.158   6.463  26.474
  546    HE2  PHE  75           HE2      PHE  75 -40.320   7.611  30.173
  547    HZ   PHE  75           HZ       PHE  75 -42.328   7.438  28.733
  548    H    LYS  76           HN       LYS  76 -35.459   7.587  23.971
  549    HA   LYS  76           HA       LYS  76 -34.760   9.716  25.941
  550   1HB   LYS  76           HBS      LYS  76 -33.123   7.856  25.761
  551   2HB   LYS  76           HBR      LYS  76 -32.927   8.237  24.026
  552   1HG   LYS  76           HGR      LYS  76 -31.707  10.136  24.437
  553   2HG   LYS  76           HGS      LYS  76 -32.518  10.455  25.997
  554   1HD   LYS  76           HDS      LYS  76 -30.532   9.838  26.818
  555   2HD   LYS  76           HDR      LYS  76 -31.301   8.279  26.737
  556   1HE   LYS  76           HES      LYS  76 -29.925   8.979  24.258
  557   2HE   LYS  76           HER      LYS  76 -28.864   8.900  25.694
  558   1HZ   LYS  76           HZB      LYS  76 -30.777   6.772  25.087
  559   2HZ   LYS  76           HZC      LYS  76 -29.286   6.783  24.424
  560   3HZ   LYS  76           HZA      LYS  76 -29.457   6.712  26.046
   
  No H/Q in entry =         560
  Start of MODEL   11
    1    H    PRO   1           HN       PRO   1  12.858   3.687   5.108
    2    HA   PRO   1           HA       PRO   1  13.283   4.437   2.897
    3   1HB   PRO   1           HBR      PRO   1  16.024   4.257   2.827
    4   2HB   PRO   1           HBS      PRO   1  15.114   5.598   2.572
    5   1HG   PRO   1           HGR      PRO   1  16.585   4.946   4.831
    6   2HG   PRO   1           HGS      PRO   1  15.887   6.406   4.420
    7   1HD   PRO   1           HDS      PRO   1  14.993   4.780   6.347
    8   2HD   PRO   1           HDR      PRO   1  14.112   5.995   5.651
    9    H    LYS   2           HN       LYS   2  12.434   2.136   3.866
   10    HA   LYS   2           HA       LYS   2  13.730   0.331   1.891
   11   1HB   LYS   2           HBR      LYS   2  12.836  -1.547   3.460
   12   2HB   LYS   2           HBS      LYS   2  14.419  -0.782   3.780
   13   1HG   LYS   2           HGR      LYS   2  13.561  -0.742   5.903
   14   2HG   LYS   2           HGS      LYS   2  12.911   0.813   5.306
   15   1HD   LYS   2           HDR      LYS   2  10.936   0.133   5.904
   16   2HD   LYS   2           HDS      LYS   2  10.967  -0.943   4.533
   17   1HE   LYS   2           HES      LYS   2  10.658  -2.601   5.997
   18   2HE   LYS   2           HER      LYS   2  12.353  -2.329   6.494
   19   1HZ   LYS   2           HZB      LYS   2  10.869  -0.445   7.791
   20   2HZ   LYS   2           HZC      LYS   2   9.988  -1.816   7.922
   21   3HZ   LYS   2           HZA      LYS   2  11.537  -1.786   8.444
   22    H    CYS   3           HN       CYS   3  12.361  -0.576   0.514
   23    HA   CYS   3           HA       CYS   3   9.778   0.535   0.411
   24   1HB   CYS   3           HBS      CYS   3  11.367   0.122  -1.468
   25   2HB   CYS   3           HBR      CYS   3  10.955  -1.613  -1.356
   26    HA   PRO   4           HA       PRO   4   7.458  -2.803   2.289
   27   1HB   PRO   4           HBR      PRO   4   5.157  -1.379   1.866
   28   2HB   PRO   4           HBS      PRO   4   5.920  -1.604   3.302
   29   1HG   PRO   4           HGS      PRO   4   5.703   0.720   2.007
   30   2HG   PRO   4           HGR      PRO   4   6.718   0.425   3.299
   31   1HD   PRO   4           HDS      PRO   4   7.353   0.544   0.543
   32   2HD   PRO   4           HDR      PRO   4   8.338   0.836   1.839
   33    H    LYS   5           HN       LYS   5   7.428  -1.505  -0.773
   34    HA   LYS   5           HA       LYS   5   5.191  -3.100  -1.795
   35   1HB   LYS   5           HBR      LYS   5   6.223  -0.751  -2.612
   36   2HB   LYS   5           HBS      LYS   5   7.160  -1.863  -3.651
   37   1HG   LYS   5           HGR      LYS   5   4.137  -1.570  -3.497
   38   2HG   LYS   5           HGS      LYS   5   5.206  -1.162  -4.871
   39   1HD   LYS   5           HDS      LYS   5   5.814  -3.784  -4.483
   40   2HD   LYS   5           HDR      LYS   5   4.147  -3.759  -3.976
   41   1HE   LYS   5           HER      LYS   5   3.803  -4.165  -6.149
   42   2HE   LYS   5           HES      LYS   5   3.835  -2.381  -6.223
   43   1HZ   LYS   5           HZA      LYS   5   6.355  -2.857  -6.550
   44   2HZ   LYS   5           HZB      LYS   5   5.821  -4.293  -7.112
   45   3HZ   LYS   5           HZC      LYS   5   5.323  -2.904  -7.813
   46    H    CYS   6           HN       CYS   6   8.622  -2.824  -2.806
   47    HA   CYS   6           HA       CYS   6   8.322  -5.497  -3.998
   48   1HB   CYS   6           HBS      CYS   6  10.317  -4.961  -5.279
   49   2HB   CYS   6           HBR      CYS   6   9.024  -3.748  -5.470
   50    H    ASP   7           HN       ASP   7   9.736  -4.030  -1.264
   51    HA   ASP   7           HA       ASP   7  11.183  -4.709   0.335
   52   1HB   ASP   7           HBR      ASP   7  10.109  -7.142  -0.673
   53   2HB   ASP   7           HBS      ASP   7  11.848  -7.374  -0.329
   54    H    LYS   8           HN       LYS   8  12.253  -3.166  -1.399
   55    HA   LYS   8           HA       LYS   8  15.017  -4.279  -1.433
   56   1HB   LYS   8           HBS      LYS   8  13.758  -3.085  -3.616
   57   2HB   LYS   8           HBR      LYS   8  14.714  -1.766  -2.883
   58   1HG   LYS   8           HGS      LYS   8  15.971  -2.960  -4.642
   59   2HG   LYS   8           HGR      LYS   8  16.747  -3.119  -3.040
   60   1HD   LYS   8           HDR      LYS   8  16.868  -5.207  -4.097
   61   2HD   LYS   8           HDS      LYS   8  15.689  -5.354  -2.823
   62   1HE   LYS   8           HER      LYS   8  14.229  -4.585  -5.077
   63   2HE   LYS   8           HES      LYS   8  15.423  -5.771  -5.673
   64   1HZ   LYS   8           HZC      LYS   8  14.638  -7.085  -3.640
   65   2HZ   LYS   8           HZA      LYS   8  13.314  -6.130  -3.694
   66   3HZ   LYS   8           HZB      LYS   8  13.698  -7.068  -4.975
   67    H    GLU   9           HN       GLU   9  16.409  -1.964  -1.464
   68    HA   GLU   9           HA       GLU   9  15.309  -0.282   0.751
   69   1HB   GLU   9           HBR      GLU   9  18.112   0.068  -0.081
   70   2HB   GLU   9           HBS      GLU   9  17.360   0.241   1.405
   71   1HG   GLU   9           HGR      GLU   9  17.147  -2.317   1.635
   72   2HG   GLU   9           HGS      GLU   9  18.191  -2.373   0.190
   73    H    VAL  10           HN       VAL  10  15.472   1.981   0.453
   74    HA   VAL  10           HA       VAL  10  15.019   2.552  -2.412
   75    HB   VAL  10           HB       VAL  10  13.694   3.483   0.133
   76   1HG1  VAL  10           HMG      VAL  10  13.969   5.400  -1.517
   77   2HG1  VAL  10           HMG      VAL  10  12.888   4.490  -2.599
   78   3HG1  VAL  10           HMG      VAL  10  12.311   5.013  -0.999
   79   1HG2  VAL  10           HMG      VAL  10  13.229   1.298  -1.417
   80   2HG2  VAL  10           HMG      VAL  10  12.036   2.088  -0.359
   81   3HG2  VAL  10           HMG      VAL  10  12.073   2.478  -2.095
   82    H    TYR  11           HN       TYR  11  16.277   3.876  -3.430
   83    HA   TYR  11           HA       TYR  11  18.315   5.443  -2.008
   84   1HB   TYR  11           HBR      TYR  11  17.738   5.510  -4.978
   85   2HB   TYR  11           HBS      TYR  11  19.255   5.889  -4.112
   86    HD1  TYR  11           HD2      TYR  11  20.619   4.038  -3.176
   87    HD2  TYR  11           HD1      TYR  11  17.253   3.246  -5.651
   88    HE1  TYR  11           HE2      TYR  11  21.389   1.727  -3.471
   89    HE2  TYR  11           HE1      TYR  11  18.029   0.937  -5.977
   90    HH   TYR  11           HH       TYR  11  19.369  -0.687  -4.357
   91    H    PHE  12           HN       PHE  12  18.526   7.717  -2.318
   92    HA   PHE  12           HA       PHE  12  16.315   8.836  -1.208
   93   1HB   PHE  12           HBR      PHE  12  18.618   9.781  -0.998
   94   2HB   PHE  12           HBS      PHE  12  18.448  10.487  -2.633
   95    HD1  PHE  12           HD2      PHE  12  15.937  10.345   0.199
   96    HD2  PHE  12           HD1      PHE  12  18.396  12.700  -2.362
   97    HE1  PHE  12           HE2      PHE  12  14.871  12.400   1.075
   98    HE2  PHE  12           HE1      PHE  12  17.353  14.752  -1.512
   99    HZ   PHE  12           HZ       PHE  12  15.543  14.601   0.156
  100    H    ALA  13           HN       ALA  13  17.529  10.153  -4.307
  101    HA   ALA  13           HA       ALA  13  15.205  11.387  -4.931
  102   1HB   ALA  13           HMB      ALA  13  17.434  11.781  -5.961
  103   2HB   ALA  13           HMB      ALA  13  17.224  10.295  -6.922
  104   3HB   ALA  13           HMB      ALA  13  16.136  11.683  -7.177
  105    H    GLU  14           HN       GLU  14  15.577   8.085  -5.006
  106    HA   GLU  14           HA       GLU  14  13.414   7.681  -6.972
  107   1HB   GLU  14           HBS      GLU  14  15.070   5.862  -5.275
  108   2HB   GLU  14           HBR      GLU  14  13.938   5.276  -6.369
  109   1HG   GLU  14           HGS      GLU  14  15.707   7.191  -7.657
  110   2HG   GLU  14           HGR      GLU  14  16.717   5.969  -6.840
  111    H    ARG  15           HN       ARG  15  13.192   8.898  -4.113
  112    HA   ARG  15           HA       ARG  15  11.816   6.741  -2.683
  113   1HB   ARG  15           HBR      ARG  15  12.084   8.030  -0.711
  114   2HB   ARG  15           HBS      ARG  15  13.620   8.110  -1.619
  115   1HG   ARG  15           HGS      ARG  15  13.433  10.286  -0.966
  116   2HG   ARG  15           HGR      ARG  15  12.563  10.371  -2.524
  117   1HD   ARG  15           HDR      ARG  15  10.998  11.371  -1.276
  118   2HD   ARG  15           HDS      ARG  15  10.542   9.685  -0.900
  119    HE   ARG  15           HE       ARG  15  11.433   9.939   1.254
  120   1HH1  ARG  15           HH1      ARG  15  11.723  12.898  -0.640
  121   2HH1  ARG  15           HH1      ARG  15  12.288  13.832   0.704
  122   1HH2  ARG  15           HH2      ARG  15  12.295  11.161   2.956
  123   2HH2  ARG  15           HH2      ARG  15  12.607  12.851   2.740
  124    H    VAL  16           HN       VAL  16   9.810   6.897  -1.717
  125    HA   VAL  16           HA       VAL  16   8.498   9.464  -1.700
  126    HB   VAL  16           HB       VAL  16   6.352   8.804  -2.513
  127   1HG1  VAL  16           HMG      VAL  16   8.082   9.610  -4.147
  128   2HG1  VAL  16           HMG      VAL  16   8.329   7.913  -4.620
  129   3HG1  VAL  16           HMG      VAL  16   6.739   8.677  -4.850
  130   1HG2  VAL  16           HMG      VAL  16   6.459   6.421  -1.820
  131   2HG2  VAL  16           HMG      VAL  16   5.809   6.672  -3.457
  132   3HG2  VAL  16           HMG      VAL  16   7.478   6.091  -3.242
  133    H    THR  17           HN       THR  17   6.991   9.652  -0.013
  134    HA   THR  17           HA       THR  17   7.596   7.660   2.110
  135    HB   THR  17           HB       THR  17   6.902  10.580   2.656
  136    HG1  THR  17           HG1      THR  17   8.244  10.765   1.363
  137   1HG2  THR  17           HMG      THR  17   7.047   8.920   4.533
  138   2HG2  THR  17           HMG      THR  17   8.772   8.717   4.134
  139   3HG2  THR  17           HMG      THR  17   8.161  10.305   4.664
  140    H    SER  18           HN       SER  18   6.060   6.950   3.475
  141    HA   SER  18           HA       SER  18   3.472   7.862   3.779
  142   1HB   SER  18           HBS      SER  18   3.220   7.440   1.347
  143   2HB   SER  18           HBR      SER  18   3.500   5.701   1.652
  144    HG   SER  18           HG       SER  18   1.362   7.494   2.336
  145    H    LEU  19           HN       LEU  19   2.334   6.653   5.221
  146    HA   LEU  19           HA       LEU  19   2.154   5.296   7.055
  147   1HB   LEU  19           HBR      LEU  19   3.131   3.470   4.856
  148   2HB   LEU  19           HBS      LEU  19   2.684   2.862   6.476
  149    HG   LEU  19           HG       LEU  19   0.834   2.492   5.046
  150   1HD1  LEU  19           HMD      LEU  19   0.663   4.041   7.328
  151   2HD1  LEU  19           HMD      LEU  19  -0.273   4.979   6.137
  152   3HD1  LEU  19           HMD      LEU  19  -0.705   3.284   6.473
  153   1HD2  LEU  19           HMD      LEU  19   1.832   4.577   3.599
  154   2HD2  LEU  19           HMD      LEU  19   0.223   3.851   3.352
  155   3HD2  LEU  19           HMD      LEU  19   0.393   5.327   4.336
  156    H    GLY  20           HN       GLY  20   4.646   6.818   6.705
  157   1HA   GLY  20           HAR      GLY  20   6.344   7.239   8.197
  158   2HA   GLY  20           HAS      GLY  20   5.753   5.846   9.141
  159    H    LYS  21           HN       LYS  21   6.496   5.227   5.835
  160    HA   LYS  21           HA       LYS  21   9.354   4.963   6.187
  161   1HB   LYS  21           HBS      LYS  21   7.639   2.551   6.242
  162   2HB   LYS  21           HBR      LYS  21   8.976   2.514   5.058
  163   1HG   LYS  21           HGR      LYS  21   9.161   2.876   8.070
  164   2HG   LYS  21           HGS      LYS  21   9.773   1.514   7.089
  165   1HD   LYS  21           HDR      LYS  21  11.666   2.499   6.677
  166   2HD   LYS  21           HDS      LYS  21  10.897   3.957   6.111
  167   1HE   LYS  21           HER      LYS  21  10.981   3.479   9.045
  168   2HE   LYS  21           HES      LYS  21  12.513   3.895   8.224
  169   1HZ   LYS  21           HZA      LYS  21  10.625   5.631   7.279
  170   2HZ   LYS  21           HZB      LYS  21  10.360   5.565   8.889
  171   3HZ   LYS  21           HZC      LYS  21  11.836   5.969   8.320
  172    H    ASP  22           HN       ASP  22  10.398   4.379   4.137
  173    HA   ASP  22           HA       ASP  22   9.042   5.938   2.126
  174   1HB   ASP  22           HBS      ASP  22  11.846   4.884   1.910
  175   2HB   ASP  22           HBR      ASP  22  11.123   6.355   1.195
  176    H    TRP  23           HN       TRP  23   9.402   5.434  -0.217
  177    HA   TRP  23           HA       TRP  23   9.298   2.527  -0.829
  178   1HB   TRP  23           HBR      TRP  23   7.435   4.667  -1.874
  179   2HB   TRP  23           HBS      TRP  23   7.340   2.899  -2.158
  180    HD1  TRP  23           HD1      TRP  23   6.835   5.540   0.619
  181    HE1  TRP  23           HE1      TRP  23   4.932   4.733   2.149
  182    HE3  TRP  23           HE3      TRP  23   6.064   0.980  -1.493
  183    HZ2  TRP  23           HZ2      TRP  23   3.249   2.496   2.320
  184    HZ3  TRP  23           HZ3      TRP  23   4.305  -0.458  -0.573
  185    HH2  TRP  23           HH2      TRP  23   2.838   0.328   1.211
  186    H    HIS  24           HN       ZHI  24   9.250   2.260  -3.304
  187    HA   HIS  24           HA       ZHI  24  11.073   4.160  -4.606
  188   1HB   HIS  24           HBS      ZHI  24   9.866   1.580  -5.703
  189   2HB   HIS  24           HBR      ZHI  24  11.122   2.584  -6.485
  190    HD2  HIS  24           HD2      ZHI  24  13.254   2.998  -4.229
  191    HE1  HIS  24           HE1      ZHI  24  12.655  -0.871  -2.765
  192    HE2  HIS  24           HE2      ZHI  24  14.331   0.996  -2.994
  193    H    ARG  25           HN       ARG  25  10.638   5.349  -6.398
  194    HA   ARG  25           HA       ARG  25   8.175   6.674  -6.276
  195   1HB   ARG  25           HBR      ARG  25  10.434   7.506  -7.202
  196   2HB   ARG  25           HBS      ARG  25   9.933   6.733  -8.733
  197   1HG   ARG  25           HGR      ARG  25   7.757   8.334  -7.842
  198   2HG   ARG  25           HGS      ARG  25   9.243   9.315  -7.689
  199   1HD   ARG  25           HDR      ARG  25   8.472   9.707  -9.852
  200   2HD   ARG  25           HDS      ARG  25   9.805   8.533 -10.036
  201    HE   ARG  25           HE       ARG  25   6.995   7.586  -9.951
  202   1HH1  ARG  25           HH1      ARG  25   9.900   8.221 -11.844
  203   2HH1  ARG  25           HH1      ARG  25   9.494   7.058 -13.060
  204   1HH2  ARG  25           HH2      ARG  25   6.564   5.980 -11.491
  205   2HH2  ARG  25           HH2      ARG  25   7.604   5.790 -12.863
  206    HA   PRO  26           HA       PRO  26   7.052   4.160 -10.247
  207   1HB   PRO  26           HBR      PRO  26   8.428   1.838 -10.434
  208   2HB   PRO  26           HBS      PRO  26   8.595   3.135 -11.425
  209   1HG   PRO  26           HGS      PRO  26  10.304   2.276  -9.403
  210   2HG   PRO  26           HGR      PRO  26  10.636   3.306 -10.673
  211   1HD   PRO  26           HDS      PRO  26  10.318   4.072  -8.129
  212   2HD   PRO  26           HDR      PRO  26  10.241   5.081  -9.437
  213    H    CYS  27           HN       CYS  27   7.940   2.544  -7.365
  214    HA   CYS  27           HA       CYS  27   6.271   0.322  -7.703
  215   1HB   CYS  27           HBS      CYS  27   7.765   1.546  -5.439
  216   2HB   CYS  27           HBR      CYS  27   6.490   0.360  -5.043
  217    H    LEU  28           HN       LEU  28   5.734   3.244  -5.704
  218    HA   LEU  28           HA       LEU  28   3.471   2.242  -4.405
  219   1HB   LEU  28           HBS      LEU  28   5.069   4.175  -3.876
  220   2HB   LEU  28           HBR      LEU  28   4.011   5.169  -4.917
  221    HG   LEU  28           HG       LEU  28   2.210   4.048  -3.188
  222   1HD1  LEU  28           HMD      LEU  28   4.758   3.678  -1.994
  223   2HD1  LEU  28           HMD      LEU  28   3.967   5.024  -1.138
  224   3HD1  LEU  28           HMD      LEU  28   3.151   3.445  -1.262
  225   1HD2  LEU  28           HMD      LEU  28   3.233   6.539  -3.932
  226   2HD2  LEU  28           HMD      LEU  28   1.786   6.227  -2.941
  227   3HD2  LEU  28           HMD      LEU  28   3.360   6.511  -2.155
  228    H    LYS  29           HN       LYS  29   1.980   1.339  -5.740
  229    HA   LYS  29           HA       LYS  29   0.283   3.162  -7.298
  230   1HB   LYS  29           HBS      LYS  29   0.330   1.796  -9.304
  231   2HB   LYS  29           HBR      LYS  29   1.946   2.475  -8.954
  232   1HG   LYS  29           HGR      LYS  29   2.052   0.020  -7.695
  233   2HG   LYS  29           HGS      LYS  29   1.057  -0.333  -9.137
  234   1HD   LYS  29           HDS      LYS  29   3.646   1.170  -9.369
  235   2HD   LYS  29           HDR      LYS  29   3.628  -0.566  -9.219
  236   1HE   LYS  29           HER      LYS  29   3.741   0.122 -11.536
  237   2HE   LYS  29           HES      LYS  29   2.249  -0.800 -11.195
  238   1HZ   LYS  29           HZC      LYS  29   2.380   2.134 -11.257
  239   2HZ   LYS  29           HZA      LYS  29   1.932   1.221 -12.534
  240   3HZ   LYS  29           HZB      LYS  29   1.038   1.208 -11.168
  241    H    CYS  30           HN       CYS  30  -1.778   2.448  -7.506
  242    HA   CYS  30           HA       CYS  30  -2.822   0.349  -5.889
  243   1HB   CYS  30           HBS      CYS  30  -3.971   2.410  -7.007
  244   2HB   CYS  30           HBR      CYS  30  -4.212   1.275  -8.369
  245    H    GLU  31           HN       GLU  31  -2.581  -1.728  -6.110
  246    HA   GLU  31           HA       GLU  31  -2.299  -2.957  -8.785
  247   1HB   GLU  31           HBR      GLU  31  -1.431  -3.480  -6.153
  248   2HB   GLU  31           HBS      GLU  31  -2.630  -4.618  -6.444
  249   1HG   GLU  31           HGS      GLU  31  -0.646  -4.298  -8.612
  250   2HG   GLU  31           HGR      GLU  31  -0.084  -5.179  -7.166
  251    H    LYS  32           HN       LYS  32  -4.781  -1.574  -7.605
  252    HA   LYS  32           HA       LYS  32  -6.666  -3.790  -8.261
  253   1HB   LYS  32           HBR      LYS  32  -6.866  -2.062  -6.146
  254   2HB   LYS  32           HBS      LYS  32  -7.800  -1.206  -7.405
  255   1HG   LYS  32           HGR      LYS  32  -9.181  -2.702  -5.942
  256   2HG   LYS  32           HGS      LYS  32  -9.280  -3.089  -7.684
  257   1HD   LYS  32           HDR      LYS  32  -7.190  -4.515  -6.201
  258   2HD   LYS  32           HDS      LYS  32  -8.806  -4.878  -5.664
  259   1HE   LYS  32           HES      LYS  32  -7.999  -4.960  -8.572
  260   2HE   LYS  32           HER      LYS  32  -7.810  -6.348  -7.463
  261   1HZ   LYS  32           HZB      LYS  32 -10.347  -4.982  -8.044
  262   2HZ   LYS  32           HZC      LYS  32  -9.880  -6.410  -8.682
  263   3HZ   LYS  32           HZA      LYS  32 -10.157  -6.283  -7.077
  264    H    CYS  33           HN       CYS  33  -6.412  -0.227  -8.617
  265    HA   CYS  33           HA       CYS  33  -7.720  -0.567 -11.213
  266   1HB   CYS  33           HBS      CYS  33  -8.432   1.699 -11.009
  267   2HB   CYS  33           HBR      CYS  33  -8.758   0.794  -9.505
  268    H    GLY  34           HN       GLY  34  -4.600   0.080 -10.047
  269   1HA   GLY  34           HAR      GLY  34  -2.631   0.512 -11.156
  270   2HA   GLY  34           HAS      GLY  34  -3.555   0.468 -12.680
  271    H    LYS  35           HN       LYS  35  -4.066   2.604  -9.880
  272    HA   LYS  35           HA       LYS  35  -3.296   4.962 -11.529
  273   1HB   LYS  35           HBR      LYS  35  -5.490   4.742  -9.991
  274   2HB   LYS  35           HBS      LYS  35  -4.324   5.289  -8.753
  275   1HG   LYS  35           HGS      LYS  35  -3.743   7.116 -10.584
  276   2HG   LYS  35           HGR      LYS  35  -5.387   6.729 -11.168
  277   1HD   LYS  35           HDS      LYS  35  -4.785   7.417  -8.289
  278   2HD   LYS  35           HDR      LYS  35  -4.995   8.654  -9.497
  279   1HE   LYS  35           HES      LYS  35  -7.023   6.618  -8.608
  280   2HE   LYS  35           HER      LYS  35  -7.067   8.395  -8.432
  281   1HZ   LYS  35           HZA      LYS  35  -6.991   8.377 -10.943
  282   2HZ   LYS  35           HZB      LYS  35  -7.412   6.801 -10.857
  283   3HZ   LYS  35           HZC      LYS  35  -8.399   7.944 -10.238
  284    H    THR  36           HN       THR  36  -1.321   5.679 -11.293
  285    HA   THR  36           HA       THR  36   0.538   4.802  -9.287
  286    HB   THR  36           HB       THR  36   0.613   7.245 -11.149
  287    HG1  THR  36           HG1      THR  36   0.594   5.790 -12.261
  288   1HG2  THR  36           HMG      THR  36   2.133   7.352  -9.102
  289   2HG2  THR  36           HMG      THR  36   3.000   5.969  -9.816
  290   3HG2  THR  36           HMG      THR  36   2.905   7.513 -10.701
  291    H    LEU  37           HN       LEU  37   1.110   5.667  -7.389
  292    HA   LEU  37           HA       LEU  37  -0.999   7.385  -6.207
  293   1HB   LEU  37           HBS      LEU  37   1.002   5.498  -4.926
  294   2HB   LEU  37           HBR      LEU  37  -0.339   6.352  -4.110
  295    HG   LEU  37           HG       LEU  37  -0.701   4.262  -6.269
  296   1HD1  LEU  37           HMD      LEU  37  -0.483   4.095  -3.282
  297   2HD1  LEU  37           HMD      LEU  37  -1.641   3.038  -4.129
  298   3HD1  LEU  37           HMD      LEU  37   0.092   2.967  -4.535
  299   1HD2  LEU  37           HMD      LEU  37  -2.539   5.745  -4.368
  300   2HD2  LEU  37           HMD      LEU  37  -2.541   5.780  -6.150
  301   3HD2  LEU  37           HMD      LEU  37  -3.026   4.299  -5.288
  302    H    THR  38           HN       THR  38  -0.576   9.402  -5.804
  303    HA   THR  38           HA       THR  38   2.001  10.639  -5.743
  304    HB   THR  38           HB       THR  38  -0.257  11.829  -6.051
  305    HG1  THR  38           HG1      THR  38   0.442  13.477  -5.231
  306   1HG2  THR  38           HMG      THR  38  -1.064  10.747  -3.721
  307   2HG2  THR  38           HMG      THR  38  -0.416  12.298  -3.128
  308   3HG2  THR  38           HMG      THR  38  -1.697  12.281  -4.367
  309    H    SER  39           HN       SER  39   2.126  12.068  -3.449
  310    HA   SER  39           HA       SER  39   2.880  10.047  -1.472
  311   1HB   SER  39           HBR      SER  39   4.470  11.795  -2.036
  312   2HB   SER  39           HBS      SER  39   3.303  13.046  -1.516
  313    HG   SER  39           HG       SER  39   4.069  10.843   0.180
  314    H    GLY  40           HN       GLY  40   0.049  10.528  -1.973
  315   1HA   GLY  40           HAR      GLY  40  -0.898  11.001   0.769
  316   2HA   GLY  40           HAS      GLY  40  -1.280  12.278  -0.415
  317    H    GLY  41           HN       GLY  41  -3.081  10.481   1.020
  318   1HA   GLY  41           HAR      GLY  41  -5.098   9.555   0.624
  319   2HA   GLY  41           HAS      GLY  41  -4.849  10.209  -1.016
  320    H    HIS  42           HN       HIS  42  -2.409   8.013  -0.509
  321    HA   HIS  42           HA       HIS  42  -3.992   5.689  -1.378
  322   1HB   HIS  42           HBS      HIS  42  -1.955   4.635  -1.994
  323   2HB   HIS  42           HBR      HIS  42  -1.867   6.330  -2.554
  324    HD1  HIS  42           HD1      HIS  42  -0.051   3.850  -0.439
  325    HD2  HIS  42           HD2      HIS  42  -0.090   7.965  -1.079
  326    HE1  HIS  42           HE1      HIS  42   2.156   4.712   0.375
  327    HE2  HIS  42           HE2      HIS  42   2.176   7.188  -0.097
  328    H    ALA  43           HN       ALA  43  -2.490   3.612  -0.504
  329    HA   ALA  43           HA       ALA  43  -2.506   3.593   2.438
  330   1HB   ALA  43           HMB      ALA  43  -4.899   3.228   1.134
  331   2HB   ALA  43           HMB      ALA  43  -4.307   1.559   1.339
  332   3HB   ALA  43           HMB      ALA  43  -4.484   2.623   2.759
  333    H    GLU  44           HN       GLU  44  -2.512   1.054   3.025
  334    HA   GLU  44           HA       GLU  44  -0.678  -0.522   1.369
  335   1HB   GLU  44           HBS      GLU  44   0.691   1.259   1.976
  336   2HB   GLU  44           HBR      GLU  44   0.162   1.349   3.566
  337   1HG   GLU  44           HGS      GLU  44   2.486   0.333   3.051
  338   2HG   GLU  44           HGR      GLU  44   1.510  -0.610   4.209
  339    H    HIS  45           HN       HIS  45  -1.381  -2.483   1.828
  340    HA   HIS  45           HA       HIS  45  -1.318  -3.374   4.660
  341   1HB   HIS  45           HBS      HIS  45  -3.656  -2.812   4.087
  342   2HB   HIS  45           HBR      HIS  45  -3.569  -3.888   2.663
  343    HD1  HIS  45           HD1      HIS  45  -3.142  -4.202   6.490
  344    HD2  HIS  45           HD2      HIS  45  -4.080  -6.489   3.138
  345    HE1  HIS  45           HE1      HIS  45  -3.671  -6.503   7.329
  346    HE2  HIS  45           HE2      HIS  45  -4.306  -7.874   5.312
  347    H    GLU  46           HN       GLU  46  -0.260  -5.186   4.932
  348    HA   GLU  46           HA       GLU  46   1.101  -6.978   4.481
  349   1HB   GLU  46           HBS      GLU  46  -1.178  -7.734   4.027
  350   2HB   GLU  46           HBR      GLU  46  -1.052  -7.377   2.392
  351   1HG   GLU  46           HGR      GLU  46  -0.152  -9.537   2.073
  352   2HG   GLU  46           HGS      GLU  46   1.221  -8.960   3.055
  353    H    GLY  47           HN       GLY  47   1.855  -4.517   3.288
  354   1HA   GLY  47           HAR      GLY  47   3.888  -4.116   2.199
  355   2HA   GLY  47           HAS      GLY  47   3.738  -5.680   1.357
  356    H    LYS  48           HN       LYS  48   0.806  -4.733   0.809
  357    HA   LYS  48           HA       LYS  48   1.584  -3.751  -1.880
  358   1HB   LYS  48           HBR      LYS  48  -1.031  -4.979  -0.949
  359   2HB   LYS  48           HBS      LYS  48  -0.558  -4.585  -2.626
  360   1HG   LYS  48           HGR      LYS  48   0.814  -6.647  -0.857
  361   2HG   LYS  48           HGS      LYS  48  -0.400  -7.012  -2.116
  362   1HD   LYS  48           HDR      LYS  48   0.984  -6.343  -3.845
  363   2HD   LYS  48           HDS      LYS  48   2.084  -5.482  -2.803
  364   1HE   LYS  48           HER      LYS  48   1.744  -8.406  -2.372
  365   2HE   LYS  48           HES      LYS  48   2.636  -7.872  -3.823
  366   1HZ   LYS  48           HZA      LYS  48   3.465  -6.477  -1.522
  367   2HZ   LYS  48           HZB      LYS  48   3.616  -8.087  -1.294
  368   3HZ   LYS  48           HZC      LYS  48   4.351  -7.368  -2.565
  369    HA   PRO  49           HA       PRO  49  -0.318   0.143  -0.713
  370   1HB   PRO  49           HBR      PRO  49   0.755   1.387  -2.818
  371   2HB   PRO  49           HBS      PRO  49   1.406   1.388  -1.310
  372   1HG   PRO  49           HGS      PRO  49   2.299   0.038  -3.570
  373   2HG   PRO  49           HGR      PRO  49   3.132   0.367  -2.163
  374   1HD   PRO  49           HDS      PRO  49   2.059  -2.027  -2.883
  375   2HD   PRO  49           HDR      PRO  49   2.751  -1.658  -1.429
  376    H    TYR  50           HN       TYR  50  -2.057   1.266  -1.447
  377    HA   TYR  50           HA       TYR  50  -2.894   0.881  -4.174
  378   1HB   TYR  50           HBR      TYR  50  -4.924   0.002  -2.107
  379   2HB   TYR  50           HBS      TYR  50  -4.991  -0.152  -3.885
  380    HD1  TYR  50           HD1      TYR  50  -3.632  -1.608  -0.775
  381    HD2  TYR  50           HD2      TYR  50  -3.968  -2.003  -4.996
  382    HE1  TYR  50           HE1      TYR  50  -3.036  -3.985  -0.593
  383    HE2  TYR  50           HE2      TYR  50  -3.388  -4.382  -4.828
  384    HH   TYR  50           HH       TYR  50  -3.700  -6.174  -2.436
  385    H    CYS  51           HN       CYS  51  -5.249   1.955  -4.319
  386    HA   CYS  51           HA       CYS  51  -5.476   4.499  -3.241
  387   1HB   CYS  51           HBS      CYS  51  -7.689   2.527  -3.859
  388   2HB   CYS  51           HBR      CYS  51  -7.937   4.254  -3.482
  389    H    ASN  52           HN       ASN  52  -5.887   5.388  -1.371
  390    HA   ASN  52           HA       ASN  52  -6.534   3.974   1.031
  391   1HB   ASN  52           HBR      ASN  52  -5.524   6.325   0.741
  392   2HB   ASN  52           HBS      ASN  52  -7.223   6.857   0.592
  393   1HD2  ASN  52           HD2      ASN  52  -5.834   6.859   4.180
  394   2HD2  ASN  52           HD2      ASN  52  -5.083   7.314   2.687
  395    H    HIS  53           HN       HIS  53  -8.409   5.362  -1.592
  396    HA   HIS  53           HA       HIS  53 -10.434   3.366  -1.100
  397   1HB   HIS  53           HBS      HIS  53 -11.133   6.287  -0.654
  398   2HB   HIS  53           HBR      HIS  53 -12.330   5.121  -1.284
  399    HD1  HIS  53           HD1      HIS  53 -13.420   3.532   0.432
  400    HD2  HIS  53           HD2      HIS  53 -10.339   5.853   2.000
  401    HE1  HIS  53           HE1      HIS  53 -13.615   3.374   2.925
  402    HE2  HIS  53           HE2      HIS  53 -11.758   4.784   3.880
  403    HA   PRO  54           HA       PRO  54 -12.445   3.245  -1.708
  404   1HB   PRO  54           HBS      PRO  54 -13.752   1.726  -3.476
  405   2HB   PRO  54           HBR      PRO  54 -14.316   3.149  -2.881
  406   1HG   PRO  54           HGR      PRO  54 -13.424   2.596  -5.444
  407   2HG   PRO  54           HGS      PRO  54 -14.177   3.975  -4.888
  408   1HD   PRO  54           HDS      PRO  54 -11.494   3.623  -5.426
  409   2HD   PRO  54           HDR      PRO  54 -12.254   5.013  -4.953
  410    H    CYS  55           HN       CYS  55 -10.126   2.174  -3.776
  411    HA   CYS  55           HA       CYS  55 -10.709  -0.494  -4.001
  412   1HB   CYS  55           HBS      CYS  55  -7.948   0.756  -4.039
  413   2HB   CYS  55           HBR      CYS  55  -8.402  -0.837  -4.711
  414    H    TYR  56           HN       TYR  56  -8.615   1.031  -1.550
  415    HA   TYR  56           HA       TYR  56  -7.859  -1.335  -0.189
  416   1HB   TYR  56           HBR      TYR  56  -6.746   0.784   0.216
  417   2HB   TYR  56           HBS      TYR  56  -8.252   1.492   0.862
  418    HD1  TYR  56           HD2      TYR  56  -6.461  -1.740   1.498
  419    HD2  TYR  56           HD1      TYR  56  -7.981   1.866   3.161
  420    HE1  TYR  56           HE2      TYR  56  -5.725  -2.466   3.722
  421    HE2  TYR  56           HE1      TYR  56  -7.274   1.139   5.399
  422    HH   TYR  56           HH       TYR  56  -6.172  -2.181   5.916
  423    H    SER  57           HN       SER  57 -10.661   0.832   0.203
  424    HA   SER  57           HA       SER  57 -11.809  -0.684   2.328
  425   1HB   SER  57           HBS      SER  57 -13.628   0.754   2.223
  426   2HB   SER  57           HBR      SER  57 -12.240   1.758   1.712
  427    HG   SER  57           HG       SER  57 -14.610   1.166   0.506
  428    H    ALA  58           HN       ALA  58 -11.680  -1.160  -1.059
  429    HA   ALA  58           HA       ALA  58 -14.231  -2.616  -1.156
  430   1HB   ALA  58           HMB      ALA  58 -13.674  -0.930  -2.855
  431   2HB   ALA  58           HMB      ALA  58 -12.258  -1.897  -3.342
  432   3HB   ALA  58           HMB      ALA  58 -13.901  -2.552  -3.558
  433    H    MET  59           HN       MET  59 -10.763  -3.163  -1.806
  434    HA   MET  59           HA       MET  59 -10.925  -5.960  -2.301
  435   1HB   MET  59           HBR      MET  59  -8.785  -4.032  -1.527
  436   2HB   MET  59           HBS      MET  59  -8.492  -5.771  -1.243
  437   1HG   MET  59           HGR      MET  59  -9.210  -6.162  -3.651
  438   2HG   MET  59           HGS      MET  59  -9.147  -4.399  -3.884
  439   1HE   MET  59           HME      MET  59  -7.119  -7.405  -2.347
  440   2HE   MET  59           HME      MET  59  -7.176  -7.590  -4.119
  441   3HE   MET  59           HME      MET  59  -5.621  -7.286  -3.304
  442    H    PHE  60           HN       PHE  60 -10.353  -4.095   0.695
  443    HA   PHE  60           HA       PHE  60 -10.194  -6.334   2.381
  444   1HB   PHE  60           HBR      PHE  60 -10.428  -3.418   2.780
  445   2HB   PHE  60           HBS      PHE  60 -11.200  -4.388   4.068
  446    HD1  PHE  60           HD2      PHE  60  -7.959  -4.554   2.080
  447    HD2  PHE  60           HD1      PHE  60  -9.965  -4.856   5.829
  448    HE1  PHE  60           HE2      PHE  60  -5.786  -4.898   3.210
  449    HE2  PHE  60           HE1      PHE  60  -7.824  -5.215   6.970
  450    HZ   PHE  60           HZ       PHE  60  -5.725  -5.165   5.673
  451    H    GLY  61           HN       GLY  61 -11.823  -7.773   1.866
  452   1HA   GLY  61           HAR      GLY  61 -14.214  -7.955   3.209
  453   2HA   GLY  61           HAS      GLY  61 -14.613  -6.964   1.779
  454    HA   PRO  62           HA       PRO  62 -12.571 -10.891  -0.024
  455   1HB   PRO  62           HBS      PRO  62 -12.306 -12.831   1.971
  456   2HB   PRO  62           HBR      PRO  62 -11.143 -12.254   0.965
  457   1HG   PRO  62           HGS      PRO  62 -11.309 -11.749   3.563
  458   2HG   PRO  62           HGR      PRO  62 -10.413 -10.843   2.487
  459   1HD   PRO  62           HDS      PRO  62 -12.848 -10.187   3.720
  460   2HD   PRO  62           HDR      PRO  62 -11.761  -9.177   2.989
  461    H    LYS  63           HN       LYS  63 -14.203 -12.672   2.465
  462    HA   LYS  63           HA       LYS  63 -15.962 -14.143   2.357
  463   1HB   LYS  63           HBR      LYS  63 -16.724 -12.685  -0.196
  464   2HB   LYS  63           HBS      LYS  63 -17.709 -13.897   0.672
  465   1HG   LYS  63           HGR      LYS  63 -17.711 -12.345   2.661
  466   2HG   LYS  63           HGS      LYS  63 -16.925 -11.118   1.626
  467   1HD   LYS  63           HDS      LYS  63 -19.327 -10.760   1.800
  468   2HD   LYS  63           HDR      LYS  63 -18.764 -11.008   0.171
  469   1HE   LYS  63           HES      LYS  63 -19.846 -13.321   1.737
  470   2HE   LYS  63           HER      LYS  63 -20.928 -12.153   0.926
  471   1HZ   LYS  63           HZC      LYS  63 -18.866 -12.977  -0.792
  472   2HZ   LYS  63           HZA      LYS  63 -19.656 -14.285  -0.213
  473   3HZ   LYS  63           HZB      LYS  63 -20.482 -13.106  -0.986
  474    H    GLY  64           HN       GLY  64 -14.425 -15.777   2.063
  475   1HA   GLY  64           HAS      GLY  64 -13.005 -16.282  -0.298
  476   2HA   GLY  64           HAR      GLY  64 -13.260 -17.461   1.016
  477    H    PHE  65           HN       PHE  65 -14.150 -16.445  -2.159
  478    HA   PHE  65           HA       PHE  65 -15.254 -17.504  -3.852
  479   1HB   PHE  65           HBS      PHE  65 -13.875 -19.511  -2.388
  480   2HB   PHE  65           HBR      PHE  65 -15.495 -20.173  -2.756
  481    HD1  PHE  65           HD2      PHE  65 -13.197 -17.918  -4.768
  482    HD2  PHE  65           HD1      PHE  65 -15.279 -21.621  -4.430
  483    HE1  PHE  65           HE2      PHE  65 -12.576 -18.472  -7.097
  484    HE2  PHE  65           HE1      PHE  65 -14.680 -22.192  -6.739
  485    HZ   PHE  65           HZ       PHE  65 -13.380 -20.595  -8.095
  486    H    GLY  66           HN       GLY  66 -17.011 -19.534  -4.062
  487   1HA   GLY  66           HAR      GLY  66 -18.867 -20.199  -2.249
  488   2HA   GLY  66           HAS      GLY  66 -19.451 -18.579  -2.711
  489    H    ARG  67           HN       ARG  67 -21.322 -19.965  -3.372
  490    HA   ARG  67           HA       ARG  67 -21.025 -20.467  -6.281
  491   1HB   ARG  67           HBR      ARG  67 -22.125 -22.318  -4.254
  492   2HB   ARG  67           HBS      ARG  67 -23.175 -22.026  -5.670
  493   1HG   ARG  67           HGS      ARG  67 -20.288 -22.961  -5.782
  494   2HG   ARG  67           HGR      ARG  67 -21.724 -24.011  -5.942
  495   1HD   ARG  67           HDS      ARG  67 -21.346 -21.621  -7.710
  496   2HD   ARG  67           HDR      ARG  67 -20.525 -23.167  -8.061
  497    HE   ARG  67           HE       ARG  67 -23.365 -22.578  -8.333
  498   1HH1  ARG  67           HH1      ARG  67 -20.825 -25.022  -8.306
  499   2HH1  ARG  67           HH1      ARG  67 -21.866 -26.268  -8.909
  500   1HH2  ARG  67           HH2      ARG  67 -24.728 -24.264  -8.997
  501   2HH2  ARG  67           HH2      ARG  67 -24.074 -25.839  -9.301
  502    H    GLY  68           HN       GLY  68 -22.111 -18.963  -7.283
  503   1HA   GLY  68           HAR      GLY  68 -24.856 -18.740  -7.238
  504   2HA   GLY  68           HAS      GLY  68 -24.306 -17.433  -6.155
  505    H    GLY  69           HN       GLY  69 -21.728 -17.259  -7.714
  506   1HA   GLY  69           HAR      GLY  69 -21.547 -17.052 -10.290
  507   2HA   GLY  69           HAS      GLY  69 -22.714 -15.722 -10.068
  508    H    ALA  70           HN       ALA  70 -22.093 -13.920  -8.709
  509    HA   ALA  70           HA       ALA  70 -20.689 -12.284  -7.945
  510   1HB   ALA  70           HMB      ALA  70 -20.278 -14.122  -6.327
  511   2HB   ALA  70           HMB      ALA  70 -18.886 -14.635  -7.313
  512   3HB   ALA  70           HMB      ALA  70 -18.887 -13.029  -6.543
  513    H    GLU  71           HN       GLU  71 -18.071 -11.815  -7.895
  514    HA   GLU  71           HA       GLU  71 -16.514 -10.745  -9.181
  515   1HB   GLU  71           HBS      GLU  71 -17.148 -13.040 -10.990
  516   2HB   GLU  71           HBR      GLU  71 -15.907 -11.965 -11.331
  517   1HG   GLU  71           HGR      GLU  71 -15.473 -12.890  -8.607
  518   2HG   GLU  71           HGS      GLU  71 -16.013 -14.278  -9.589
  519    H    SER  72           HN       SER  72 -18.278 -12.043 -11.972
  520    HA   SER  72           HA       SER  72 -19.712  -9.611 -12.603
  521   1HB   SER  72           HBR      SER  72 -18.321  -8.671 -14.223
  522   2HB   SER  72           HBS      SER  72 -17.252  -8.991 -12.825
  523    HG   SER  72           HG       SER  72 -16.569  -9.502 -15.120
  524    H    HIS  73           HN       HIS  73 -17.879 -12.305 -14.093
  525    HA   HIS  73           HA       HIS  73 -18.540 -14.043 -15.408
  526   1HB   HIS  73           HBR      HIS  73 -21.012 -13.403 -13.847
  527   2HB   HIS  73           HBS      HIS  73 -21.211 -14.415 -15.307
  528    HD1  HIS  73           HD1      HIS  73 -21.120 -16.866 -14.685
  529    HD2  HIS  73           HD2      HIS  73 -18.628 -14.537 -12.294
  530    HE1  HIS  73           HE1      HIS  73 -20.111 -18.416 -12.995
  531    HE2  HIS  73           HE2      HIS  73 -18.618 -17.009 -11.532
  532    H    THR  74           HN       THR  74 -20.066 -14.706 -17.214
  533    HA   THR  74           HA       THR  74 -20.676 -14.348 -19.389
  534    HB   THR  74           HB       THR  74 -22.642 -13.486 -17.982
  535    HG1  THR  74           HG1      THR  74 -23.566 -13.153 -19.559
  536   1HG2  THR  74           HMG      THR  74 -21.240 -10.902 -18.432
  537   2HG2  THR  74           HMG      THR  74 -23.009 -10.921 -18.643
  538   3HG2  THR  74           HMG      THR  74 -22.292 -11.429 -17.092
  539    H    PHE  75           HN       PHE  75 -18.104 -13.204 -18.592
  540    HA   PHE  75           HA       PHE  75 -17.912 -11.278 -20.848
  541   1HB   PHE  75           HBS      PHE  75 -16.854 -10.909 -18.138
  542   2HB   PHE  75           HBR      PHE  75 -15.565 -10.888 -19.377
  543    HD1  PHE  75           HD1      PHE  75 -15.885  -9.463 -21.378
  544    HD2  PHE  75           HD2      PHE  75 -18.261  -8.941 -17.879
  545    HE1  PHE  75           HE1      PHE  75 -16.378  -7.165 -22.081
  546    HE2  PHE  75           HE2      PHE  75 -18.775  -6.622 -18.566
  547    HZ   PHE  75           HZ       PHE  75 -17.772  -5.721 -20.646
  548    H    LYS  76           HN       LYS  76 -16.149 -11.541 -22.199
  549    HA   LYS  76           HA       LYS  76 -14.525 -14.008 -21.780
  550   1HB   LYS  76           HBS      LYS  76 -16.112 -13.985 -23.806
  551   2HB   LYS  76           HBR      LYS  76 -15.015 -12.745 -24.480
  552   1HG   LYS  76           HGR      LYS  76 -13.581 -14.319 -25.163
  553   2HG   LYS  76           HGS      LYS  76 -13.478 -14.999 -23.514
  554   1HD   LYS  76           HDS      LYS  76 -15.576 -15.675 -25.579
  555   2HD   LYS  76           HDR      LYS  76 -14.162 -16.622 -25.209
  556   1HE   LYS  76           HES      LYS  76 -15.283 -16.286 -22.721
  557   2HE   LYS  76           HER      LYS  76 -16.694 -16.441 -23.804
  558   1HZ   LYS  76           HZB      LYS  76 -15.144 -18.374 -24.693
  559   2HZ   LYS  76           HZC      LYS  76 -14.691 -18.383 -23.124
  560   3HZ   LYS  76           HZA      LYS  76 -16.261 -18.593 -23.522
   
  No H/Q in entry =         560
  Start of MODEL   12
    1    H    PRO   1           HN       PRO   1  15.388   2.069   6.093
    2    HA   PRO   1           HA       PRO   1  13.471   2.726   4.884
    3   1HB   PRO   1           HBR      PRO   1  14.539   4.267   2.901
    4   2HB   PRO   1           HBS      PRO   1  13.500   4.763   4.071
    5   1HG   PRO   1           HGR      PRO   1  16.241   5.228   3.902
    6   2HG   PRO   1           HGS      PRO   1  15.100   5.994   4.849
    7   1HD   PRO   1           HDR      PRO   1  16.921   4.269   5.765
    8   2HD   PRO   1           HDS      PRO   1  15.543   4.700   6.574
    9    H    LYS   2           HN       LYS   2  13.017   0.810   4.177
   10    HA   LYS   2           HA       LYS   2  14.229   0.173   1.548
   11   1HB   LYS   2           HBR      LYS   2  13.881  -2.304   2.268
   12   2HB   LYS   2           HBS      LYS   2  15.375  -1.438   2.725
   13   1HG   LYS   2           HGS      LYS   2  13.522  -0.990   4.823
   14   2HG   LYS   2           HGR      LYS   2  13.408  -2.726   4.411
   15   1HD   LYS   2           HDS      LYS   2  16.024  -1.288   4.896
   16   2HD   LYS   2           HDR      LYS   2  15.067  -1.943   6.195
   17   1HE   LYS   2           HES      LYS   2  16.676  -3.579   5.706
   18   2HE   LYS   2           HER      LYS   2  15.125  -4.162   5.037
   19   1HZ   LYS   2           HZC      LYS   2  16.966  -2.661   3.352
   20   2HZ   LYS   2           HZA      LYS   2  17.227  -4.252   3.614
   21   3HZ   LYS   2           HZB      LYS   2  15.833  -3.755   2.923
   22    H    CYS   3           HN       CYS   3  12.868  -1.027   0.181
   23    HA   CYS   3           HA       CYS   3  10.306   0.070   0.318
   24   1HB   CYS   3           HBS      CYS   3  11.823  -0.356  -1.671
   25   2HB   CYS   3           HBR      CYS   3  11.199  -2.030  -1.646
   26    HA   PRO   4           HA       PRO   4   7.975  -3.328   2.075
   27   1HB   PRO   4           HBR      PRO   4   5.692  -1.846   1.839
   28   2HB   PRO   4           HBS      PRO   4   6.518  -2.152   3.224
   29   1HG   PRO   4           HGS      PRO   4   6.282   0.236   2.043
   30   2HG   PRO   4           HGR      PRO   4   7.327  -0.131   3.291
   31   1HD   PRO   4           HDS      PRO   4   7.892   0.120   0.533
   32   2HD   PRO   4           HDR      PRO   4   8.918   0.317   1.816
   33    H    LYS   5           HN       LYS   5   8.005  -1.926  -0.902
   34    HA   LYS   5           HA       LYS   5   5.794  -3.558  -2.007
   35   1HB   LYS   5           HBR      LYS   5   6.715  -1.062  -2.684
   36   2HB   LYS   5           HBS      LYS   5   7.552  -2.104  -3.868
   37   1HG   LYS   5           HGR      LYS   5   4.557  -1.855  -3.409
   38   2HG   LYS   5           HGS      LYS   5   5.485  -1.355  -4.851
   39   1HD   LYS   5           HDR      LYS   5   5.283  -3.309  -5.765
   40   2HD   LYS   5           HDS      LYS   5   6.028  -4.098  -4.402
   41   1HE   LYS   5           HES      LYS   5   4.038  -5.159  -4.285
   42   2HE   LYS   5           HER      LYS   5   3.549  -3.678  -3.414
   43   1HZ   LYS   5           HZA      LYS   5   3.336  -3.371  -6.207
   44   2HZ   LYS   5           HZB      LYS   5   2.452  -4.647  -5.699
   45   3HZ   LYS   5           HZC      LYS   5   2.199  -3.168  -5.053
   46    H    CYS   6           HN       CYS   6   9.084  -2.837  -3.205
   47    HA   CYS   6           HA       CYS   6   8.991  -5.458  -4.492
   48   1HB   CYS   6           HBS      CYS   6  10.830  -4.663  -5.857
   49   2HB   CYS   6           HBR      CYS   6   9.436  -3.550  -5.861
   50    H    ASP   7           HN       ASP   7  10.410  -4.122  -1.712
   51    HA   ASP   7           HA       ASP   7  11.969  -4.829  -0.236
   52   1HB   ASP   7           HBR      ASP   7  10.965  -7.192  -1.328
   53   2HB   ASP   7           HBS      ASP   7  12.743  -7.374  -1.333
   54    H    LYS   8           HN       LYS   8  12.825  -3.052  -1.911
   55    HA   LYS   8           HA       LYS   8  15.677  -3.895  -2.121
   56   1HB   LYS   8           HBR      LYS   8  14.352  -2.779  -4.200
   57   2HB   LYS   8           HBS      LYS   8  14.870  -1.306  -3.330
   58   1HG   LYS   8           HGR      LYS   8  17.200  -2.679  -3.320
   59   2HG   LYS   8           HGS      LYS   8  16.476  -3.326  -4.821
   60   1HD   LYS   8           HDS      LYS   8  15.996  -0.706  -5.177
   61   2HD   LYS   8           HDR      LYS   8  17.414  -0.596  -4.169
   62   1HE   LYS   8           HER      LYS   8  17.706  -0.644  -6.712
   63   2HE   LYS   8           HES      LYS   8  18.800  -1.625  -5.696
   64   1HZ   LYS   8           HZC      LYS   8  16.359  -2.719  -6.899
   65   2HZ   LYS   8           HZA      LYS   8  17.802  -2.750  -7.666
   66   3HZ   LYS   8           HZB      LYS   8  17.614  -3.536  -6.248
   67    H    GLU   9           HN       GLU   9  16.854  -1.470  -1.964
   68    HA   GLU   9           HA       GLU   9  15.692  -0.111   0.434
   69   1HB   GLU   9           HBR      GLU   9  18.420   0.580  -0.430
   70   2HB   GLU   9           HBS      GLU   9  17.709   0.532   1.084
   71   1HG   GLU   9           HGS      GLU   9  17.765  -1.879   1.241
   72   2HG   GLU   9           HGR      GLU   9  18.570  -2.028  -0.343
   73    H    VAL  10           HN       VAL  10  15.632   2.173   0.345
   74    HA   VAL  10           HA       VAL  10  15.025   2.951  -2.444
   75    HB   VAL  10           HB       VAL  10  13.698   3.492   0.210
   76   1HG1  VAL  10           HMG      VAL  10  13.726   5.584  -1.229
   77   2HG1  VAL  10           HMG      VAL  10  12.717   4.686  -2.387
   78   3HG1  VAL  10           HMG      VAL  10  12.129   4.974  -0.733
   79   1HG2  VAL  10           HMG      VAL  10  13.400   1.440  -1.547
   80   2HG2  VAL  10           HMG      VAL  10  12.173   1.993  -0.386
   81   3HG2  VAL  10           HMG      VAL  10  12.112   2.558  -2.071
   82    H    TYR  11           HN       TYR  11  16.102   4.489  -3.364
   83    HA   TYR  11           HA       TYR  11  18.056   6.072  -1.835
   84   1HB   TYR  11           HBR      TYR  11  17.875   5.102  -4.505
   85   2HB   TYR  11           HBS      TYR  11  17.813   6.885  -4.582
   86    HD1  TYR  11           HD1      TYR  11  19.647   7.999  -2.854
   87    HD2  TYR  11           HD2      TYR  11  19.977   4.208  -4.753
   88    HE1  TYR  11           HE1      TYR  11  22.086   8.064  -2.547
   89    HE2  TYR  11           HE2      TYR  11  22.410   4.247  -4.428
   90    HH   TYR  11           HH       TYR  11  24.151   6.673  -4.068
   91    H    PHE  12           HN       PHE  12  18.095   8.377  -1.995
   92    HA   PHE  12           HA       PHE  12  15.833   9.239  -0.771
   93   1HB   PHE  12           HBR      PHE  12  18.339  10.382  -1.224
   94   2HB   PHE  12           HBS      PHE  12  17.198  11.559  -1.937
   95    HD1  PHE  12           HD2      PHE  12  14.849  11.113  -0.009
   96    HD2  PHE  12           HD1      PHE  12  19.048  11.435   0.640
   97    HE1  PHE  12           HE2      PHE  12  14.424  12.007   2.259
   98    HE2  PHE  12           HE1      PHE  12  18.654  12.327   2.891
   99    HZ   PHE  12           HZ       PHE  12  16.343  12.670   3.682
  100    H    ALA  13           HN       ALA  13  16.865  10.866  -3.786
  101    HA   ALA  13           HA       ALA  13  14.438  11.950  -4.277
  102   1HB   ALA  13           HMB      ALA  13  16.832  12.269  -5.341
  103   2HB   ALA  13           HMB      ALA  13  16.173  11.215  -6.617
  104   3HB   ALA  13           HMB      ALA  13  15.377  12.765  -6.243
  105    H    GLU  14           HN       GLU  14  15.068   8.702  -4.600
  106    HA   GLU  14           HA       GLU  14  12.904   8.268  -6.558
  107   1HB   GLU  14           HBS      GLU  14  14.713   6.455  -5.017
  108   2HB   GLU  14           HBR      GLU  14  13.624   5.880  -6.160
  109   1HG   GLU  14           HGR      GLU  14  15.400   8.033  -7.249
  110   2HG   GLU  14           HGS      GLU  14  16.289   6.668  -6.517
  111    H    ARG  15           HN       ARG  15  12.646   9.252  -3.613
  112    HA   ARG  15           HA       ARG  15  11.492   6.890  -2.317
  113   1HB   ARG  15           HBR      ARG  15  11.687   8.062  -0.263
  114   2HB   ARG  15           HBS      ARG  15  13.193   8.332  -1.184
  115   1HG   ARG  15           HGS      ARG  15  12.963  10.498  -0.761
  116   2HG   ARG  15           HGR      ARG  15  11.543  10.500  -1.846
  117   1HD   ARG  15           HDS      ARG  15  10.171   9.795   0.130
  118   2HD   ARG  15           HDR      ARG  15  11.608  10.112   1.141
  119    HE   ARG  15           HE       ARG  15  10.088  12.150  -0.400
  120   1HH1  ARG  15           HH1      ARG  15  12.649  11.372   1.895
  121   2HH1  ARG  15           HH1      ARG  15  12.640  12.951   2.607
  122   1HH2  ARG  15           HH2      ARG  15  10.018  14.162   0.642
  123   2HH2  ARG  15           HH2      ARG  15  11.153  14.531   1.897
  124    H    VAL  16           HN       VAL  16   9.505   6.808  -1.299
  125    HA   VAL  16           HA       VAL  16   7.965   9.240  -1.101
  126    HB   VAL  16           HB       VAL  16   5.874   8.428  -1.925
  127   1HG1  VAL  16           HMG      VAL  16   8.110   8.141  -3.939
  128   2HG1  VAL  16           HMG      VAL  16   6.384   8.145  -4.376
  129   3HG1  VAL  16           HMG      VAL  16   7.107   9.571  -3.593
  130   1HG2  VAL  16           HMG      VAL  16   6.191   6.037  -1.394
  131   2HG2  VAL  16           HMG      VAL  16   5.538   6.317  -3.025
  132   3HG2  VAL  16           HMG      VAL  16   7.253   5.886  -2.815
  133    H    THR  17           HN       THR  17   6.532   9.211   0.636
  134    HA   THR  17           HA       THR  17   7.298   7.105   2.594
  135    HB   THR  17           HB       THR  17   6.626  10.016   3.277
  136    HG1  THR  17           HG1      THR  17   8.504  10.449   3.178
  137   1HG2  THR  17           HMG      THR  17   7.490   7.664   4.804
  138   2HG2  THR  17           HMG      THR  17   8.474   9.122   5.095
  139   3HG2  THR  17           HMG      THR  17   6.709   9.172   5.347
  140    H    SER  18           HN       SER  18   5.825   6.227   3.909
  141    HA   SER  18           HA       SER  18   3.127   7.026   4.259
  142   1HB   SER  18           HBS      SER  18   3.092   6.630   1.785
  143   2HB   SER  18           HBR      SER  18   3.441   4.910   2.114
  144    HG   SER  18           HG       SER  18   1.122   6.353   2.134
  145    H    LEU  19           HN       LEU  19   2.239   5.864   5.816
  146    HA   LEU  19           HA       LEU  19   2.246   4.550   7.685
  147   1HB   LEU  19           HBR      LEU  19   3.392   2.536   5.726
  148   2HB   LEU  19           HBS      LEU  19   2.646   2.173   7.308
  149    HG   LEU  19           HG       LEU  19   1.062   1.621   5.643
  150   1HD1  LEU  19           HMD      LEU  19   0.338   3.069   7.648
  151   2HD1  LEU  19           HMD      LEU  19   0.202   4.396   6.467
  152   3HD1  LEU  19           HMD      LEU  19  -0.785   2.925   6.272
  153   1HD2  LEU  19           HMD      LEU  19   2.353   3.271   4.021
  154   2HD2  LEU  19           HMD      LEU  19   0.649   2.834   3.735
  155   3HD2  LEU  19           HMD      LEU  19   1.052   4.391   4.502
  156    H    GLY  20           HN       GLY  20   4.594   6.212   6.973
  157   1HA   GLY  20           HAS      GLY  20   6.444   6.854   8.179
  158   2HA   GLY  20           HAR      GLY  20   5.977   5.615   9.375
  159    H    LYS  21           HN       LYS  21   6.406   4.490   6.150
  160    HA   LYS  21           HA       LYS  21   9.314   4.224   6.396
  161   1HB   LYS  21           HBR      LYS  21   7.759   1.827   5.429
  162   2HB   LYS  21           HBS      LYS  21   9.482   1.953   5.887
  163   1HG   LYS  21           HGS      LYS  21   7.232   2.289   7.895
  164   2HG   LYS  21           HGR      LYS  21   7.941   0.697   7.499
  165   1HD   LYS  21           HDR      LYS  21   9.908   1.177   8.514
  166   2HD   LYS  21           HDS      LYS  21   9.826   2.886   8.188
  167   1HE   LYS  21           HER      LYS  21   7.794   2.742   9.890
  168   2HE   LYS  21           HES      LYS  21   8.688   1.295  10.436
  169   1HZ   LYS  21           HZA      LYS  21  10.545   3.268  10.138
  170   2HZ   LYS  21           HZB      LYS  21   9.283   4.007  10.864
  171   3HZ   LYS  21           HZC      LYS  21   9.955   2.684  11.546
  172    H    ASP  22           HN       ASP  22  10.331   3.959   4.358
  173    HA   ASP  22           HA       ASP  22   8.864   5.542   2.446
  174   1HB   ASP  22           HBS      ASP  22  11.735   4.708   2.171
  175   2HB   ASP  22           HBR      ASP  22  10.908   6.165   1.550
  176    H    TRP  23           HN       TRP  23   9.230   5.213   0.081
  177    HA   TRP  23           HA       TRP  23   9.403   2.360  -0.731
  178   1HB   TRP  23           HBR      TRP  23   7.297   4.347  -1.595
  179   2HB   TRP  23           HBS      TRP  23   7.365   2.590  -1.949
  180    HD1  TRP  23           HD1      TRP  23   6.675   5.061   0.940
  181    HE1  TRP  23           HE1      TRP  23   4.939   3.992   2.507
  182    HE3  TRP  23           HE3      TRP  23   6.373   0.500  -1.288
  183    HZ2  TRP  23           HZ2      TRP  23   3.570   1.550   2.690
  184    HZ3  TRP  23           HZ3      TRP  23   4.841  -1.167  -0.349
  185    HH2  TRP  23           HH2      TRP  23   3.417  -0.640   1.560
  186    H    HIS  24           HN       ZHI  24   9.287   2.270  -3.223
  187    HA   HIS  24           HA       ZHI  24  10.905   4.407  -4.414
  188   1HB   HIS  24           HBS      ZHI  24   9.877   1.825  -5.679
  189   2HB   HIS  24           HBR      ZHI  24  11.023   2.988  -6.412
  190    HD2  HIS  24           HD2      ZHI  24  13.176   3.406  -4.167
  191    HE1  HIS  24           HE1      ZHI  24  12.998  -0.631  -3.097
  192    HE2  HIS  24           HE2      ZHI  24  14.482   1.402  -3.182
  193    H    ARG  25           HN       ARG  25  10.330   5.688  -6.102
  194    HA   ARG  25           HA       ARG  25   7.735   6.760  -5.880
  195   1HB   ARG  25           HBS      ARG  25  10.165   7.379  -7.315
  196   2HB   ARG  25           HBR      ARG  25   8.755   7.549  -8.398
  197   1HG   ARG  25           HGR      ARG  25   7.707   8.987  -6.575
  198   2HG   ARG  25           HGS      ARG  25   9.315   8.995  -5.797
  199   1HD   ARG  25           HDS      ARG  25   8.748   9.869  -8.630
  200   2HD   ARG  25           HDR      ARG  25   8.881  10.961  -7.222
  201    HE   ARG  25           HE       ARG  25  11.231   9.622  -7.118
  202   1HH1  ARG  25           HH1      ARG  25   9.598  11.526  -9.596
  203   2HH1  ARG  25           HH1      ARG  25  11.060  11.842 -10.470
  204   1HH2  ARG  25           HH2      ARG  25  13.101   9.950  -8.359
  205   2HH2  ARG  25           HH2      ARG  25  13.042  10.952  -9.770
  206    HA   PRO  26           HA       PRO  26   6.930   4.451 -10.065
  207   1HB   PRO  26           HBS      PRO  26   8.716   2.304 -10.107
  208   2HB   PRO  26           HBR      PRO  26   8.416   3.389 -11.303
  209   1HG   PRO  26           HGR      PRO  26  10.651   3.282  -9.865
  210   2HG   PRO  26           HGS      PRO  26  10.152   4.601 -10.757
  211   1HD   PRO  26           HDS      PRO  26  10.118   4.262  -7.967
  212   2HD   PRO  26           HDR      PRO  26  10.042   5.669  -8.834
  213    H    CYS  27           HN       CYS  27   7.913   2.735  -7.269
  214    HA   CYS  27           HA       CYS  27   6.424   0.393  -7.784
  215   1HB   CYS  27           HBS      CYS  27   7.812   1.576  -5.427
  216   2HB   CYS  27           HBR      CYS  27   6.639   0.258  -5.140
  217    H    LEU  28           HN       LEU  28   5.657   3.283  -5.849
  218    HA   LEU  28           HA       LEU  28   3.468   2.173  -4.495
  219   1HB   LEU  28           HBS      LEU  28   4.927   4.242  -4.059
  220   2HB   LEU  28           HBR      LEU  28   3.795   5.105  -5.139
  221    HG   LEU  28           HG       LEU  28   1.968   4.229  -3.517
  222   1HD1  LEU  28           HMD      LEU  28   4.073   2.959  -2.336
  223   2HD1  LEU  28           HMD      LEU  28   4.000   4.464  -1.382
  224   3HD1  LEU  28           HMD      LEU  28   2.566   3.412  -1.500
  225   1HD2  LEU  28           HMD      LEU  28   3.763   6.509  -3.571
  226   2HD2  LEU  28           HMD      LEU  28   2.010   6.445  -3.254
  227   3HD2  LEU  28           HMD      LEU  28   3.166   6.199  -1.920
  228    H    LYS  29           HN       LYS  29   2.077   1.096  -5.822
  229    HA   LYS  29           HA       LYS  29   0.287   2.741  -7.523
  230   1HB   LYS  29           HBR      LYS  29   0.502   1.162  -9.369
  231   2HB   LYS  29           HBS      LYS  29   2.051   1.980  -9.020
  232   1HG   LYS  29           HGS      LYS  29   2.271  -0.298  -7.499
  233   2HG   LYS  29           HGR      LYS  29   1.336  -0.887  -8.903
  234   1HD   LYS  29           HDR      LYS  29   3.988   0.559  -8.924
  235   2HD   LYS  29           HDS      LYS  29   3.774  -1.156  -9.149
  236   1HE   LYS  29           HER      LYS  29   2.289   0.695 -10.946
  237   2HE   LYS  29           HES      LYS  29   4.053   0.534 -11.175
  238   1HZ   LYS  29           HZB      LYS  29   3.276  -1.994 -10.970
  239   2HZ   LYS  29           HZC      LYS  29   1.966  -1.351 -11.706
  240   3HZ   LYS  29           HZA      LYS  29   3.441  -1.203 -12.391
  241    H    CYS  30           HN       CYS  30  -1.752   2.062  -7.513
  242    HA   CYS  30           HA       CYS  30  -2.771   0.076  -5.861
  243   1HB   CYS  30           HBS      CYS  30  -3.949   1.982  -7.153
  244   2HB   CYS  30           HBR      CYS  30  -4.141   0.755  -8.438
  245    H    GLU  31           HN       GLU  31  -2.483  -2.006  -5.834
  246    HA   GLU  31           HA       GLU  31  -2.172  -3.549  -8.318
  247   1HB   GLU  31           HBS      GLU  31  -1.771  -3.783  -5.465
  248   2HB   GLU  31           HBR      GLU  31  -2.464  -5.194  -6.054
  249   1HG   GLU  31           HGS      GLU  31  -0.175  -4.011  -7.580
  250   2HG   GLU  31           HGR      GLU  31   0.267  -4.721  -6.003
  251    H    LYS  32           HN       LYS  32  -4.706  -2.067  -7.497
  252    HA   LYS  32           HA       LYS  32  -6.523  -4.394  -7.935
  253   1HB   LYS  32           HBR      LYS  32  -6.774  -2.145  -6.157
  254   2HB   LYS  32           HBS      LYS  32  -8.036  -2.053  -7.420
  255   1HG   LYS  32           HGR      LYS  32  -7.671  -4.739  -6.228
  256   2HG   LYS  32           HGS      LYS  32  -8.241  -3.485  -5.089
  257   1HD   LYS  32           HDS      LYS  32 -10.219  -3.182  -6.144
  258   2HD   LYS  32           HDR      LYS  32  -9.571  -3.571  -7.715
  259   1HE   LYS  32           HES      LYS  32  -9.842  -5.724  -5.653
  260   2HE   LYS  32           HER      LYS  32 -11.244  -5.179  -6.617
  261   1HZ   LYS  32           HZB      LYS  32  -9.214  -5.536  -8.392
  262   2HZ   LYS  32           HZC      LYS  32  -9.093  -6.820  -7.391
  263   3HZ   LYS  32           HZA      LYS  32 -10.497  -6.521  -8.168
  264    H    CYS  33           HN       CYS  33  -6.381  -0.866  -8.590
  265    HA   CYS  33           HA       CYS  33  -7.660  -1.455 -11.152
  266   1HB   CYS  33           HBS      CYS  33  -8.369   0.823 -11.177
  267   2HB   CYS  33           HBR      CYS  33  -8.715   0.066  -9.599
  268    H    GLY  34           HN       GLY  34  -4.545  -0.701 -10.043
  269   1HA   GLY  34           HAR      GLY  34  -2.566  -0.222 -11.143
  270   2HA   GLY  34           HAS      GLY  34  -3.413  -0.432 -12.699
  271    H    LYS  35           HN       LYS  35  -3.986   1.760  -9.924
  272    HA   LYS  35           HA       LYS  35  -3.536   4.088 -11.735
  273   1HB   LYS  35           HBS      LYS  35  -5.752   4.099 -10.664
  274   2HB   LYS  35           HBR      LYS  35  -4.971   4.001  -9.060
  275   1HG   LYS  35           HGS      LYS  35  -3.719   6.184  -9.928
  276   2HG   LYS  35           HGR      LYS  35  -5.167   6.308 -10.970
  277   1HD   LYS  35           HDS      LYS  35  -6.243   5.767  -8.504
  278   2HD   LYS  35           HDR      LYS  35  -4.810   6.651  -8.062
  279   1HE   LYS  35           HES      LYS  35  -5.619   8.328  -9.923
  280   2HE   LYS  35           HER      LYS  35  -7.195   7.565  -9.568
  281   1HZ   LYS  35           HZB      LYS  35  -6.344   8.040  -7.145
  282   2HZ   LYS  35           HZC      LYS  35  -5.562   9.259  -7.901
  283   3HZ   LYS  35           HZA      LYS  35  -7.187   9.145  -8.003
  284    H    THR  36           HN       THR  36  -1.638   4.993 -11.522
  285    HA   THR  36           HA       THR  36   0.277   4.175  -9.523
  286    HB   THR  36           HB       THR  36   0.355   6.511 -11.518
  287    HG1  THR  36           HG1      THR  36   1.417   5.291 -12.646
  288   1HG2  THR  36           HMG      THR  36   2.606   5.246  -9.932
  289   2HG2  THR  36           HMG      THR  36   2.797   6.444 -11.237
  290   3HG2  THR  36           HMG      THR  36   1.961   6.894  -9.729
  291    H    LEU  37           HN       LEU  37   0.905   5.147  -7.699
  292    HA   LEU  37           HA       LEU  37  -1.132   6.970  -6.578
  293   1HB   LEU  37           HBR      LEU  37   0.952   5.208  -5.253
  294   2HB   LEU  37           HBS      LEU  37  -0.369   6.096  -4.442
  295    HG   LEU  37           HG       LEU  37  -0.711   3.803  -6.394
  296   1HD1  LEU  37           HMD      LEU  37  -0.412   3.981  -3.451
  297   2HD1  LEU  37           HMD      LEU  37  -1.770   2.985  -4.035
  298   3HD1  LEU  37           HMD      LEU  37  -0.105   2.623  -4.561
  299   1HD2  LEU  37           HMD      LEU  37  -2.529   5.719  -4.988
  300   2HD2  LEU  37           HMD      LEU  37  -2.655   5.002  -6.615
  301   3HD2  LEU  37           HMD      LEU  37  -3.063   4.030  -5.179
  302    H    THR  38           HN       THR  38  -0.729   8.950  -5.906
  303    HA   THR  38           HA       THR  38   1.814  10.192  -6.702
  304    HB   THR  38           HB       THR  38  -0.472  11.307  -7.068
  305    HG1  THR  38           HG1      THR  38   0.944  12.401  -7.361
  306   1HG2  THR  38           HMG      THR  38  -1.054  10.801  -4.489
  307   2HG2  THR  38           HMG      THR  38  -0.366  12.437  -4.328
  308   3HG2  THR  38           HMG      THR  38  -1.754  12.158  -5.409
  309    H    SER  39           HN       SER  39   2.138  12.110  -4.821
  310    HA   SER  39           HA       SER  39   3.657  10.890  -2.881
  311   1HB   SER  39           HBR      SER  39   3.993  13.192  -3.457
  312   2HB   SER  39           HBS      SER  39   2.385  13.636  -2.812
  313    HG   SER  39           HG       SER  39   3.310  14.065  -1.055
  314    H    GLY  40           HN       GLY  40   0.254  11.199  -2.935
  315   1HA   GLY  40           HAR      GLY  40  -0.024  10.118  -0.189
  316   2HA   GLY  40           HAS      GLY  40  -0.678  11.741  -0.535
  317    H    GLY  41           HN       GLY  41  -2.672  10.530   0.152
  318   1HA   GLY  41           HAR      GLY  41  -4.726   9.696  -0.321
  319   2HA   GLY  41           HAS      GLY  41  -4.285  10.140  -1.989
  320    H    HIS  42           HN       HIS  42  -2.087   7.843  -0.984
  321    HA   HIS  42           HA       HIS  42  -3.735   5.581  -1.863
  322   1HB   HIS  42           HBS      HIS  42  -1.684   4.366  -2.155
  323   2HB   HIS  42           HBR      HIS  42  -1.492   5.995  -2.868
  324    HD1  HIS  42           HD1      HIS  42   0.219   3.669  -0.609
  325    HD2  HIS  42           HD2      HIS  42  -0.032   7.799  -1.091
  326    HE1  HIS  42           HE1      HIS  42   2.204   4.643   0.574
  327    HE2  HIS  42           HE2      HIS  42   2.104   7.133   0.207
  328    H    ALA  43           HN       ALA  43  -2.497   3.460  -0.734
  329    HA   ALA  43           HA       ALA  43  -2.132   3.751   2.114
  330   1HB   ALA  43           HMB      ALA  43  -4.764   3.054   1.121
  331   2HB   ALA  43           HMB      ALA  43  -4.067   1.739   2.101
  332   3HB   ALA  43           HMB      ALA  43  -4.211   3.380   2.783
  333    H    GLU  44           HN       GLU  44  -2.373   1.191   2.936
  334    HA   GLU  44           HA       GLU  44  -0.689  -0.455   1.119
  335   1HB   GLU  44           HBR      GLU  44   0.613   1.272   2.430
  336   2HB   GLU  44           HBS      GLU  44  -0.001   0.588   3.836
  337   1HG   GLU  44           HGR      GLU  44   1.456  -1.330   2.026
  338   2HG   GLU  44           HGS      GLU  44   2.375  -0.122   2.964
  339    H    HIS  45           HN       HIS  45  -1.336  -2.474   1.243
  340    HA   HIS  45           HA       HIS  45  -2.126  -3.562   3.900
  341   1HB   HIS  45           HBS      HIS  45  -4.068  -3.344   2.352
  342   2HB   HIS  45           HBR      HIS  45  -3.218  -4.383   1.170
  343    HD1  HIS  45           HD1      HIS  45  -5.099  -4.563   4.456
  344    HD2  HIS  45           HD2      HIS  45  -3.327  -7.047   1.622
  345    HE1  HIS  45           HE1      HIS  45  -5.876  -6.888   4.972
  346    HE2  HIS  45           HE2      HIS  45  -4.779  -8.403   3.282
  347    H    GLU  46           HN       GLU  46  -0.412  -4.659   4.560
  348    HA   GLU  46           HA       GLU  46   1.321  -6.159   4.653
  349   1HB   GLU  46           HBS      GLU  46  -0.053  -7.528   2.403
  350   2HB   GLU  46           HBR      GLU  46   0.873  -8.257   3.599
  351   1HG   GLU  46           HGR      GLU  46  -1.749  -6.775   4.251
  352   2HG   GLU  46           HGS      GLU  46  -1.719  -8.456   3.656
  353    H    GLY  47           HN       GLY  47   1.840  -3.913   3.104
  354   1HA   GLY  47           HAR      GLY  47   3.943  -3.409   2.180
  355   2HA   GLY  47           HAS      GLY  47   4.045  -5.066   1.526
  356    H    LYS  48           HN       LYS  48   1.109  -4.602   0.625
  357    HA   LYS  48           HA       LYS  48   1.948  -3.659  -2.063
  358   1HB   LYS  48           HBS      LYS  48  -0.714  -4.917  -1.569
  359   2HB   LYS  48           HBR      LYS  48   0.379  -5.040  -2.977
  360   1HG   LYS  48           HGS      LYS  48   1.464  -6.256  -0.518
  361   2HG   LYS  48           HGR      LYS  48  -0.049  -7.012  -1.092
  362   1HD   LYS  48           HDR      LYS  48   1.020  -7.177  -3.343
  363   2HD   LYS  48           HDS      LYS  48   2.511  -6.588  -2.660
  364   1HE   LYS  48           HER      LYS  48   1.094  -9.186  -2.233
  365   2HE   LYS  48           HES      LYS  48   2.803  -8.889  -2.665
  366   1HZ   LYS  48           HZA      LYS  48   3.025  -7.943  -0.405
  367   2HZ   LYS  48           HZB      LYS  48   1.532  -8.500  -0.047
  368   3HZ   LYS  48           HZC      LYS  48   2.724  -9.548  -0.431
  369    HA   PRO  49           HA       PRO  49  -0.294   0.002  -0.885
  370   1HB   PRO  49           HBR      PRO  49   0.651   1.442  -2.941
  371   2HB   PRO  49           HBS      PRO  49   1.309   1.404  -1.436
  372   1HG   PRO  49           HGS      PRO  49   2.253   0.201  -3.771
  373   2HG   PRO  49           HGR      PRO  49   3.095   0.570  -2.380
  374   1HD   PRO  49           HDS      PRO  49   2.300  -1.891  -3.097
  375   2HD   PRO  49           HDR      PRO  49   2.814  -1.457  -1.586
  376    H    TYR  50           HN       TYR  50  -1.837   1.498  -1.834
  377    HA   TYR  50           HA       TYR  50  -3.259   0.525  -4.192
  378   1HB   TYR  50           HBR      TYR  50  -4.258   0.007  -1.377
  379   2HB   TYR  50           HBS      TYR  50  -5.349   0.114  -2.786
  380    HD1  TYR  50           HD1      TYR  50  -5.281  -1.645  -4.534
  381    HD2  TYR  50           HD2      TYR  50  -2.987  -1.951  -0.968
  382    HE1  TYR  50           HE1      TYR  50  -4.910  -4.032  -4.985
  383    HE2  TYR  50           HE2      TYR  50  -2.658  -4.348  -1.375
  384    HH   TYR  50           HH       TYR  50  -4.587  -6.096  -3.128
  385    H    CYS  51           HN       CYS  51  -5.274   1.775  -4.519
  386    HA   CYS  51           HA       CYS  51  -5.467   4.451  -3.754
  387   1HB   CYS  51           HBS      CYS  51  -7.723   2.476  -4.180
  388   2HB   CYS  51           HBR      CYS  51  -7.911   4.246  -4.048
  389    H    ASN  52           HN       ASN  52  -5.680   5.472  -1.938
  390    HA   ASN  52           HA       ASN  52  -6.549   4.345   0.546
  391   1HB   ASN  52           HBR      ASN  52  -5.199   6.388   0.389
  392   2HB   ASN  52           HBS      ASN  52  -6.602   7.238  -0.317
  393   1HD2  ASN  52           HD2      ASN  52  -7.621   8.269   2.827
  394   2HD2  ASN  52           HD2      ASN  52  -7.512   8.545   1.120
  395    H    HIS  53           HN       HIS  53  -8.178   5.845  -2.192
  396    HA   HIS  53           HA       HIS  53 -10.429   4.100  -1.610
  397   1HB   HIS  53           HBS      HIS  53 -10.771   7.109  -1.569
  398   2HB   HIS  53           HBR      HIS  53 -12.047   6.065  -2.257
  399    HD1  HIS  53           HD1      HIS  53 -13.769   5.330  -0.564
  400    HD2  HIS  53           HD2      HIS  53 -10.134   6.351   1.194
  401    HE1  HIS  53           HE1      HIS  53 -14.145   5.290   1.914
  402    HE2  HIS  53           HE2      HIS  53 -11.946   5.895   2.983
  403    HA   PRO  54           HA       PRO  54 -12.334   4.002  -2.357
  404   1HB   PRO  54           HBS      PRO  54 -13.655   2.358  -4.000
  405   2HB   PRO  54           HBR      PRO  54 -14.130   3.887  -3.631
  406   1HG   PRO  54           HGS      PRO  54 -13.162   2.928  -6.027
  407   2HG   PRO  54           HGR      PRO  54 -13.779   4.447  -5.718
  408   1HD   PRO  54           HDS      PRO  54 -11.125   3.725  -5.998
  409   2HD   PRO  54           HDR      PRO  54 -11.746   5.247  -5.807
  410    H    CYS  55           HN       CYS  55 -10.073   2.384  -4.164
  411    HA   CYS  55           HA       CYS  55 -10.980  -0.180  -4.039
  412   1HB   CYS  55           HBS      CYS  55  -8.088   0.715  -4.146
  413   2HB   CYS  55           HBR      CYS  55  -8.691  -0.916  -4.550
  414    H    TYR  56           HN       TYR  56  -8.930   1.433  -1.636
  415    HA   TYR  56           HA       TYR  56  -8.048  -0.960  -0.314
  416   1HB   TYR  56           HBR      TYR  56  -6.802   1.122  -0.115
  417   2HB   TYR  56           HBS      TYR  56  -8.197   1.915   0.669
  418    HD1  TYR  56           HD1      TYR  56  -5.869  -1.006   1.136
  419    HD2  TYR  56           HD2      TYR  56  -8.293   1.961   2.984
  420    HE1  TYR  56           HE1      TYR  56  -5.005  -1.679   3.337
  421    HE2  TYR  56           HE2      TYR  56  -7.418   1.318   5.185
  422    HH   TYR  56           HH       TYR  56  -4.824   0.228   5.757
  423    H    SER  57           HN       SER  57 -10.492   1.515   0.565
  424    HA   SER  57           HA       SER  57 -11.265   0.010   2.942
  425   1HB   SER  57           HBS      SER  57 -12.671   1.791   3.474
  426   2HB   SER  57           HBR      SER  57 -11.224   2.547   2.747
  427    HG   SER  57           HG       SER  57 -13.496   3.278   2.192
  428    H    ALA  58           HN       ALA  58 -12.089   0.060  -0.377
  429    HA   ALA  58           HA       ALA  58 -14.743  -1.024  -0.077
  430   1HB   ALA  58           HMB      ALA  58 -12.838  -0.964  -2.433
  431   2HB   ALA  58           HMB      ALA  58 -14.562  -1.410  -2.499
  432   3HB   ALA  58           HMB      ALA  58 -14.087   0.246  -2.046
  433    H    MET  59           HN       MET  59 -11.534  -2.386  -0.830
  434    HA   MET  59           HA       MET  59 -12.770  -5.044  -1.320
  435   1HB   MET  59           HBS      MET  59 -10.938  -3.743  -2.813
  436   2HB   MET  59           HBR      MET  59  -9.854  -4.633  -1.715
  437   1HG   MET  59           HGS      MET  59 -12.171  -6.017  -3.127
  438   2HG   MET  59           HGR      MET  59 -10.606  -5.775  -3.937
  439   1HE   MET  59           HME      MET  59  -8.345  -6.123  -2.112
  440   2HE   MET  59           HME      MET  59  -8.113  -7.879  -1.913
  441   3HE   MET  59           HME      MET  59  -8.538  -7.211  -3.509
  442    H    PHE  60           HN       PHE  60 -10.356  -3.317   0.627
  443    HA   PHE  60           HA       PHE  60 -10.478  -5.464   2.669
  444   1HB   PHE  60           HBR      PHE  60  -9.016  -2.793   2.853
  445   2HB   PHE  60           HBS      PHE  60  -8.930  -4.161   4.000
  446    HD1  PHE  60           HD1      PHE  60  -8.148  -6.357   3.132
  447    HD2  PHE  60           HD2      PHE  60  -7.468  -2.742   0.983
  448    HE1  PHE  60           HE1      PHE  60  -6.438  -7.500   1.795
  449    HE2  PHE  60           HE2      PHE  60  -5.732  -3.867  -0.372
  450    HZ   PHE  60           HZ       PHE  60  -5.258  -6.269   0.012
  451    H    GLY  61           HN       GLY  61 -10.435  -3.772   4.906
  452   1HA   GLY  61           HAR      GLY  61 -13.393  -3.505   4.974
  453   2HA   GLY  61           HAS      GLY  61 -12.336  -4.016   6.321
  454    HA   PRO  62           HA       PRO  62 -11.751  -0.573   8.386
  455   1HB   PRO  62           HBR      PRO  62  -9.332   0.542   7.458
  456   2HB   PRO  62           HBS      PRO  62  -9.668  -0.084   8.939
  457   1HG   PRO  62           HGS      PRO  62  -8.223  -1.274   7.027
  458   2HG   PRO  62           HGR      PRO  62  -8.778  -2.000   8.422
  459   1HD   PRO  62           HDS      PRO  62  -9.626  -2.477   5.857
  460   2HD   PRO  62           HDR      PRO  62 -10.188  -3.183   7.242
  461    H    LYS  63           HN       LYS  63 -10.076   1.255   5.983
  462    HA   LYS  63           HA       LYS  63 -12.163   2.894   5.092
  463   1HB   LYS  63           HBR      LYS  63 -11.288   3.493   7.852
  464   2HB   LYS  63           HBS      LYS  63 -11.268   4.883   6.728
  465   1HG   LYS  63           HGR      LYS  63 -13.502   5.065   6.769
  466   2HG   LYS  63           HGS      LYS  63 -13.724   3.316   6.486
  467   1HD   LYS  63           HDS      LYS  63 -14.226   2.927   8.589
  468   2HD   LYS  63           HDR      LYS  63 -12.774   3.718   9.138
  469   1HE   LYS  63           HES      LYS  63 -13.789   5.700   9.560
  470   2HE   LYS  63           HER      LYS  63 -14.994   5.467   8.261
  471   1HZ   LYS  63           HZC      LYS  63 -15.466   3.500  10.083
  472   2HZ   LYS  63           HZA      LYS  63 -15.191   4.829  10.993
  473   3HZ   LYS  63           HZB      LYS  63 -16.357   4.848   9.850
  474    H    GLY  64           HN       GLY  64 -11.285   5.177   4.548
  475   1HA   GLY  64           HAS      GLY  64  -8.653   5.024   3.296
  476   2HA   GLY  64           HAR      GLY  64  -9.728   6.446   3.379
  477    H    PHE  65           HN       PHE  65  -7.927   4.307   5.633
  478    HA   PHE  65           HA       PHE  65  -7.118   6.722   7.174
  479   1HB   PHE  65           HBS      PHE  65  -9.023   4.831   8.031
  480   2HB   PHE  65           HBR      PHE  65  -7.511   4.392   8.880
  481    HD1  PHE  65           HD1      PHE  65  -6.302   6.075  10.145
  482    HD2  PHE  65           HD2      PHE  65 -10.289   6.758   8.810
  483    HE1  PHE  65           HE1      PHE  65  -6.505   7.910  11.761
  484    HE2  PHE  65           HE2      PHE  65 -10.523   8.610  10.432
  485    HZ   PHE  65           HZ       PHE  65  -8.593   9.219  11.865
  486    H    GLY  66           HN       GLY  66  -6.660   3.200   7.551
  487   1HA   GLY  66           HAR      GLY  66  -4.805   1.865   7.235
  488   2HA   GLY  66           HAS      GLY  66  -3.990   3.255   6.472
  489    H    ARG  67           HN       ARG  67  -5.007   1.955   9.641
  490    HA   ARG  67           HA       ARG  67  -4.008   1.951  11.696
  491   1HB   ARG  67           HBR      ARG  67  -1.547   2.491  10.005
  492   2HB   ARG  67           HBS      ARG  67  -1.530   2.077  11.744
  493   1HG   ARG  67           HGS      ARG  67  -2.128  -0.121  11.367
  494   2HG   ARG  67           HGR      ARG  67  -2.910   0.244   9.804
  495   1HD   ARG  67           HDS      ARG  67   0.049   0.544  10.232
  496   2HD   ARG  67           HDR      ARG  67  -0.696  -1.011   9.768
  497    HE   ARG  67           HE       ARG  67  -1.168   1.408   8.118
  498   1HH1  ARG  67           HH1      ARG  67   0.443  -1.703   8.502
  499   2HH1  ARG  67           HH1      ARG  67   0.611  -1.949   6.795
  500   1HH2  ARG  67           HH2      ARG  67  -1.047   0.992   5.894
  501   2HH2  ARG  67           HH2      ARG  67  -0.228  -0.422   5.319
  502    H    GLY  68           HN       GLY  68  -2.110   3.328  12.949
  503   1HA   GLY  68           HAR      GLY  68  -1.518   5.999  12.433
  504   2HA   GLY  68           HAS      GLY  68  -3.148   6.013  13.156
  505    H    GLY  69           HN       GLY  69  -2.789   3.692  14.813
  506   1HA   GLY  69           HAR      GLY  69  -1.130   4.948  16.932
  507   2HA   GLY  69           HAS      GLY  69  -2.549   3.894  17.179
  508    H    ALA  70           HN       ALA  70  -1.652   1.980  15.112
  509    HA   ALA  70           HA       ALA  70  -0.203   0.319  16.992
  510   1HB   ALA  70           HMB      ALA  70  -1.863  -0.014  14.599
  511   2HB   ALA  70           HMB      ALA  70  -0.502  -1.160  14.695
  512   3HB   ALA  70           HMB      ALA  70  -1.675  -1.054  16.034
  513    H    GLU  71           HN       GLU  71   1.458  -1.247  16.020
  514    HA   GLU  71           HA       GLU  71   3.462  -1.724  15.015
  515   1HB   GLU  71           HBS      GLU  71   1.791  -1.305  13.180
  516   2HB   GLU  71           HBR      GLU  71   2.447   0.219  12.931
  517   1HG   GLU  71           HGR      GLU  71   3.450  -1.431  11.305
  518   2HG   GLU  71           HGS      GLU  71   4.672  -0.847  12.466
  519    H    SER  72           HN       SER  72   4.465  -0.590  16.804
  520    HA   SER  72           HA       SER  72   5.828   1.918  15.988
  521   1HB   SER  72           HBS      SER  72   3.775   2.419  17.314
  522   2HB   SER  72           HBR      SER  72   4.500   1.526  18.682
  523    HG   SER  72           HG       SER  72   6.410   2.887  18.442
  524    H    HIS  73           HN       HIS  73   5.564  -0.361  18.745
  525    HA   HIS  73           HA       HIS  73   8.529  -0.553  18.795
  526   1HB   HIS  73           HBS      HIS  73   7.498   1.215  20.442
  527   2HB   HIS  73           HBR      HIS  73   6.993  -0.223  21.376
  528    HD1  HIS  73           HD1      HIS  73  10.327   0.617  19.602
  529    HD2  HIS  73           HD2      HIS  73   8.823  -0.576  23.298
  530    HE1  HIS  73           HE1      HIS  73  12.313   0.127  21.048
  531    HE2  HIS  73           HE2      HIS  73  11.410  -0.617  23.280
  532    H    THR  74           HN       THR  74   5.875  -1.601  20.945
  533    HA   THR  74           HA       THR  74   6.291  -4.381  20.205
  534    HB   THR  74           HB       THR  74   6.499  -4.932  22.819
  535    HG1  THR  74           HG1      THR  74   7.683  -3.625  23.773
  536   1HG2  THR  74           HMG      THR  74   8.544  -4.533  20.750
  537   2HG2  THR  74           HMG      THR  74   9.167  -4.459  22.417
  538   3HG2  THR  74           HMG      THR  74   8.276  -5.900  21.861
  539    H    PHE  75           HN       PHE  75   4.922  -2.247  22.736
  540    HA   PHE  75           HA       PHE  75   2.285  -3.555  22.350
  541   1HB   PHE  75           HBS      PHE  75   3.363  -3.031  25.134
  542   2HB   PHE  75           HBR      PHE  75   1.974  -4.034  24.627
  543    HD1  PHE  75           HD1      PHE  75   2.386  -6.068  23.317
  544    HD2  PHE  75           HD2      PHE  75   5.566  -4.069  25.328
  545    HE1  PHE  75           HE1      PHE  75   3.699  -8.140  23.257
  546    HE2  PHE  75           HE2      PHE  75   6.911  -6.144  25.277
  547    HZ   PHE  75           HZ       PHE  75   5.937  -8.198  24.290
  548    H    LYS  76           HN       LYS  76   0.928  -2.021  21.863
  549    HA   LYS  76           HA       LYS  76   0.127  -0.137  23.758
  550   1HB   LYS  76           HBR      LYS  76   0.659   1.994  22.742
  551   2HB   LYS  76           HBS      LYS  76   2.156   1.120  23.177
  552   1HG   LYS  76           HGR      LYS  76   2.903   1.431  21.097
  553   2HG   LYS  76           HGS      LYS  76   1.559   0.419  20.492
  554   1HD   LYS  76           HDS      LYS  76   0.315   2.167  19.823
  555   2HD   LYS  76           HDR      LYS  76   0.848   3.190  21.130
  556   1HE   LYS  76           HES      LYS  76   2.540   2.508  18.728
  557   2HE   LYS  76           HER      LYS  76   1.558   3.988  18.924
  558   1HZ   LYS  76           HZA      LYS  76   3.669   3.183  20.799
  559   2HZ   LYS  76           HZB      LYS  76   3.915   4.208  19.553
  560   3HZ   LYS  76           HZC      LYS  76   2.879   4.612  20.749
   
  No H/Q in entry =         560
  Start of MODEL   13
    1    H    PRO   1           HN       PRO   1  15.527   2.088   5.880
    2    HA   PRO   1           HA       PRO   1  13.983   3.646   4.901
    3   1HB   PRO   1           HBR      PRO   1  15.598   4.842   3.057
    4   2HB   PRO   1           HBS      PRO   1  14.834   5.579   4.309
    5   1HG   PRO   1           HGR      PRO   1  17.503   5.211   4.058
    6   2HG   PRO   1           HGS      PRO   1  16.693   5.830   5.377
    7   1HD   PRO   1           HDR      PRO   1  17.782   3.268   5.048
    8   2HD   PRO   1           HDS      PRO   1  17.326   4.018   6.451
    9    H    LYS   2           HN       LYS   2  13.513   1.389   4.519
   10    HA   LYS   2           HA       LYS   2  14.322   0.598   1.756
   11   1HB   LYS   2           HBR      LYS   2  14.316  -1.723   2.559
   12   2HB   LYS   2           HBS      LYS   2  15.538  -0.714   3.383
   13   1HG   LYS   2           HGS      LYS   2  14.350  -0.710   5.409
   14   2HG   LYS   2           HGR      LYS   2  12.824  -1.205   4.623
   15   1HD   LYS   2           HDS      LYS   2  13.346  -3.388   4.744
   16   2HD   LYS   2           HDR      LYS   2  15.001  -3.113   4.276
   17   1HE   LYS   2           HER      LYS   2  15.067  -4.022   6.432
   18   2HE   LYS   2           HES      LYS   2  15.469  -2.288   6.596
   19   1HZ   LYS   2           HZC      LYS   2  12.707  -3.149   6.905
   20   2HZ   LYS   2           HZA      LYS   2  13.747  -3.378   8.143
   21   3HZ   LYS   2           HZB      LYS   2  13.476  -1.872   7.571
   22    H    CYS   3           HN       CYS   3  12.877  -0.708   0.601
   23    HA   CYS   3           HA       CYS   3  10.278   0.324   0.883
   24   1HB   CYS   3           HBS      CYS   3  11.590  -0.023  -1.209
   25   2HB   CYS   3           HBR      CYS   3  11.252  -1.770  -1.063
   26    HA   PRO   4           HA       PRO   4   8.348  -3.083   3.045
   27   1HB   PRO   4           HBR      PRO   4   5.951  -1.803   2.980
   28   2HB   PRO   4           HBS      PRO   4   6.967  -1.883   4.267
   29   1HG   PRO   4           HGS      PRO   4   6.361   0.325   2.859
   30   2HG   PRO   4           HGR      PRO   4   7.533   0.205   4.040
   31   1HD   PRO   4           HDS      PRO   4   7.850   0.190   1.232
   32   2HD   PRO   4           HDR      PRO   4   8.958   0.603   2.392
   33    H    LYS   5           HN       LYS   5   7.936  -1.865   0.002
   34    HA   LYS   5           HA       LYS   5   5.591  -3.508  -0.695
   35   1HB   LYS   5           HBR      LYS   5   6.417  -1.096  -1.611
   36   2HB   LYS   5           HBS      LYS   5   7.169  -2.174  -2.820
   37   1HG   LYS   5           HGR      LYS   5   4.388  -2.901  -2.274
   38   2HG   LYS   5           HGS      LYS   5   4.545  -1.213  -2.838
   39   1HD   LYS   5           HDS      LYS   5   5.206  -1.786  -4.897
   40   2HD   LYS   5           HDR      LYS   5   6.152  -3.137  -4.336
   41   1HE   LYS   5           HER      LYS   5   4.277  -4.558  -4.177
   42   2HE   LYS   5           HES      LYS   5   3.143  -3.203  -4.444
   43   1HZ   LYS   5           HZB      LYS   5   4.765  -3.130  -6.584
   44   2HZ   LYS   5           HZC      LYS   5   4.601  -4.737  -6.340
   45   3HZ   LYS   5           HZA      LYS   5   3.278  -3.804  -6.551
   46    H    CYS   6           HN       CYS   6   8.753  -3.017  -2.300
   47    HA   CYS   6           HA       CYS   6   8.478  -5.719  -3.384
   48   1HB   CYS   6           HBS      CYS   6  10.279  -5.093  -4.898
   49   2HB   CYS   6           HBR      CYS   6   8.910  -3.949  -4.929
   50    H    ASP   7           HN       ASP   7  10.154  -4.178  -0.846
   51    HA   ASP   7           HA       ASP   7  11.789  -4.812   0.583
   52   1HB   ASP   7           HBR      ASP   7  10.592  -7.157   0.041
   53   2HB   ASP   7           HBS      ASP   7  12.253  -7.501  -0.523
   54    H    LYS   8           HN       LYS   8  12.484  -3.242  -1.419
   55    HA   LYS   8           HA       LYS   8  15.324  -4.103  -1.723
   56   1HB   LYS   8           HBR      LYS   8  13.611  -2.593  -3.512
   57   2HB   LYS   8           HBS      LYS   8  14.999  -1.607  -2.972
   58   1HG   LYS   8           HGS      LYS   8  15.142  -4.350  -4.286
   59   2HG   LYS   8           HGR      LYS   8  15.509  -2.784  -5.063
   60   1HD   LYS   8           HDR      LYS   8  17.485  -2.560  -3.972
   61   2HD   LYS   8           HDS      LYS   8  16.969  -3.437  -2.559
   62   1HE   LYS   8           HER      LYS   8  18.747  -4.491  -4.019
   63   2HE   LYS   8           HES      LYS   8  17.363  -5.529  -3.580
   64   1HZ   LYS   8           HZB      LYS   8  17.350  -4.009  -6.071
   65   2HZ   LYS   8           HZC      LYS   8  18.121  -5.446  -5.988
   66   3HZ   LYS   8           HZA      LYS   8  16.518  -5.361  -5.689
   67    H    GLU   9           HN       GLU   9  16.517  -1.680  -1.753
   68    HA   GLU   9           HA       GLU   9  15.501  -0.188   0.628
   69   1HB   GLU   9           HBR      GLU   9  18.225   0.356  -0.366
   70   2HB   GLU   9           HBS      GLU   9  17.560   0.455   1.167
   71   1HG   GLU   9           HGR      GLU   9  18.021  -2.324   0.027
   72   2HG   GLU   9           HGS      GLU   9  19.314  -1.364   0.797
   73    H    VAL  10           HN       VAL  10  15.529   2.103   0.401
   74    HA   VAL  10           HA       VAL  10  14.908   2.776  -2.427
   75    HB   VAL  10           HB       VAL  10  13.566   3.559   0.167
   76   1HG1  VAL  10           HMG      VAL  10  13.757   5.343  -1.827
   77   2HG1  VAL  10           HMG      VAL  10  12.349   4.418  -2.403
   78   3HG1  VAL  10           HMG      VAL  10  12.317   5.180  -0.794
   79   1HG2  VAL  10           HMG      VAL  10  13.209   1.348  -1.420
   80   2HG2  VAL  10           HMG      VAL  10  12.037   2.013  -0.260
   81   3HG2  VAL  10           HMG      VAL  10  11.926   2.458  -1.978
   82    H    TYR  11           HN       TYR  11  16.141   4.190  -3.350
   83    HA   TYR  11           HA       TYR  11  17.475   6.269  -1.735
   84   1HB   TYR  11           HBS      TYR  11  18.850   6.678  -3.638
   85   2HB   TYR  11           HBR      TYR  11  18.744   4.908  -3.412
   86    HD1  TYR  11           HD1      TYR  11  17.200   7.687  -5.424
   87    HD2  TYR  11           HD2      TYR  11  18.344   3.595  -5.260
   88    HE1  TYR  11           HE1      TYR  11  16.745   7.470  -7.830
   89    HE2  TYR  11           HE2      TYR  11  17.902   3.366  -7.664
   90    HH   TYR  11           HH       TYR  11  16.674   4.278  -9.320
   91    H    PHE  12           HN       PHE  12  17.494   8.484  -2.533
   92    HA   PHE  12           HA       PHE  12  14.975   9.340  -2.020
   93   1HB   PHE  12           HBS      PHE  12  15.758  11.679  -2.826
   94   2HB   PHE  12           HBR      PHE  12  16.635  10.894  -1.480
   95    HD1  PHE  12           HD1      PHE  12  18.783   9.985  -1.761
   96    HD2  PHE  12           HD2      PHE  12  16.920  12.043  -4.994
   97    HE1  PHE  12           HE1      PHE  12  20.942  10.066  -2.924
   98    HE2  PHE  12           HE2      PHE  12  19.087  12.144  -6.185
   99    HZ   PHE  12           HZ       PHE  12  21.085  11.092  -5.163
  100    H    ALA  13           HN       ALA  13  16.562   9.554  -5.218
  101    HA   ALA  13           HA       ALA  13  14.474  10.878  -6.332
  102   1HB   ALA  13           HMB      ALA  13  16.995   9.640  -7.180
  103   2HB   ALA  13           HMB      ALA  13  15.804   9.736  -8.500
  104   3HB   ALA  13           HMB      ALA  13  16.301  11.213  -7.640
  105    H    GLU  14           HN       GLU  14  14.457   7.626  -5.662
  106    HA   GLU  14           HA       GLU  14  12.057   7.303  -7.418
  107   1HB   GLU  14           HBR      GLU  14  13.173   5.102  -5.756
  108   2HB   GLU  14           HBS      GLU  14  12.304   5.075  -7.191
  109   1HG   GLU  14           HGR      GLU  14  14.634   6.422  -8.018
  110   2HG   GLU  14           HGS      GLU  14  15.176   5.167  -6.871
  111    H    ARG  15           HN       ARG  15  12.596   8.727  -4.653
  112    HA   ARG  15           HA       ARG  15  11.421   6.862  -2.787
  113   1HB   ARG  15           HBR      ARG  15  12.134   8.188  -1.073
  114   2HB   ARG  15           HBS      ARG  15  13.323   8.557  -2.347
  115   1HG   ARG  15           HGS      ARG  15  12.908  10.723  -2.172
  116   2HG   ARG  15           HGR      ARG  15  11.159  10.478  -2.443
  117   1HD   ARG  15           HDR      ARG  15  11.471  11.540  -0.336
  118   2HD   ARG  15           HDS      ARG  15  10.940   9.857  -0.059
  119    HE   ARG  15           HE       ARG  15  13.799  10.041  -0.028
  120   1HH1  ARG  15           HH1      ARG  15  11.037  11.085   1.900
  121   2HH1  ARG  15           HH1      ARG  15  11.849  10.816   3.407
  122   1HH2  ARG  15           HH2      ARG  15  14.790   9.602   1.962
  123   2HH2  ARG  15           HH2      ARG  15  13.975   9.985   3.441
  124    H    VAL  16           HN       VAL  16   9.541   6.870  -1.739
  125    HA   VAL  16           HA       VAL  16   7.961   9.288  -1.659
  126    HB   VAL  16           HB       VAL  16   5.862   8.372  -2.351
  127   1HG1  VAL  16           HMG      VAL  16   7.365   9.407  -4.064
  128   2HG1  VAL  16           HMG      VAL  16   7.840   7.763  -4.560
  129   3HG1  VAL  16           HMG      VAL  16   6.145   8.287  -4.718
  130   1HG2  VAL  16           HMG      VAL  16   7.359   5.803  -2.534
  131   2HG2  VAL  16           HMG      VAL  16   5.717   6.143  -1.937
  132   3HG2  VAL  16           HMG      VAL  16   6.034   6.093  -3.688
  133    H    THR  17           HN       THR  17   7.345   9.581   0.338
  134    HA   THR  17           HA       THR  17   7.887   7.379   2.214
  135    HB   THR  17           HB       THR  17   7.350  10.246   3.075
  136    HG1  THR  17           HG1      THR  17   9.609   9.125   2.065
  137   1HG2  THR  17           HMG      THR  17   7.939   8.202   4.611
  138   2HG2  THR  17           HMG      THR  17   9.606   8.562   4.089
  139   3HG2  THR  17           HMG      THR  17   8.641   9.813   4.912
  140    H    SER  18           HN       SER  18   6.523   6.732   3.826
  141    HA   SER  18           HA       SER  18   3.839   7.583   4.206
  142   1HB   SER  18           HBR      SER  18   3.636   6.964   1.818
  143   2HB   SER  18           HBS      SER  18   4.122   5.297   2.242
  144    HG   SER  18           HG       SER  18   1.955   6.777   3.479
  145    H    LEU  19           HN       LEU  19   2.798   6.379   5.727
  146    HA   LEU  19           HA       LEU  19   2.740   5.177   7.676
  147   1HB   LEU  19           HBR      LEU  19   3.815   3.296   5.577
  148   2HB   LEU  19           HBS      LEU  19   3.473   2.747   7.242
  149    HG   LEU  19           HG       LEU  19   1.615   2.138   5.923
  150   1HD1  LEU  19           HMD      LEU  19   1.046   3.153   8.095
  151   2HD1  LEU  19           HMD      LEU  19   0.929   4.750   7.312
  152   3HD1  LEU  19           HMD      LEU  19  -0.214   3.455   6.871
  153   1HD2  LEU  19           HMD      LEU  19   2.323   3.865   4.131
  154   2HD2  LEU  19           HMD      LEU  19   0.591   3.489   4.316
  155   3HD2  LEU  19           HMD      LEU  19   1.255   4.989   5.009
  156    H    GLY  20           HN       GLY  20   5.095   6.856   7.265
  157   1HA   GLY  20           HAR      GLY  20   6.559   7.446   8.991
  158   2HA   GLY  20           HAS      GLY  20   6.481   5.776   9.615
  159    H    LYS  21           HN       LYS  21   6.951   5.007   6.607
  160    HA   LYS  21           HA       LYS  21   9.891   5.376   6.656
  161   1HB   LYS  21           HBS      LYS  21   8.406   2.804   6.578
  162   2HB   LYS  21           HBR      LYS  21   9.711   3.005   5.373
  163   1HG   LYS  21           HGR      LYS  21   9.972   3.218   8.399
  164   2HG   LYS  21           HGS      LYS  21  10.579   1.898   7.359
  165   1HD   LYS  21           HDS      LYS  21  12.504   2.985   7.412
  166   2HD   LYS  21           HDR      LYS  21  11.769   3.955   6.166
  167   1HE   LYS  21           HER      LYS  21  10.899   5.123   8.532
  168   2HE   LYS  21           HES      LYS  21  12.619   4.728   8.807
  169   1HZ   LYS  21           HZB      LYS  21  11.661   6.131   6.414
  170   2HZ   LYS  21           HZC      LYS  21  12.163   6.912   7.756
  171   3HZ   LYS  21           HZA      LYS  21  13.203   5.967   6.925
  172    H    ASP  22           HN       ASP  22  10.657   4.487   4.354
  173    HA   ASP  22           HA       ASP  22   9.035   6.013   2.452
  174   1HB   ASP  22           HBS      ASP  22  11.863   5.105   2.014
  175   2HB   ASP  22           HBR      ASP  22  10.983   6.484   1.292
  176    H    TRP  23           HN       TRP  23   9.160   5.367   0.135
  177    HA   TRP  23           HA       TRP  23   9.393   2.439  -0.317
  178   1HB   TRP  23           HBR      TRP  23   7.128   4.236  -1.209
  179   2HB   TRP  23           HBS      TRP  23   7.272   2.462  -1.454
  180    HD1  TRP  23           HD1      TRP  23   6.755   5.091   1.336
  181    HE1  TRP  23           HE1      TRP  23   5.159   4.095   3.091
  182    HE3  TRP  23           HE3      TRP  23   6.253   0.446  -0.669
  183    HZ2  TRP  23           HZ2      TRP  23   3.757   1.693   3.454
  184    HZ3  TRP  23           HZ3      TRP  23   4.742  -1.147   0.422
  185    HH2  TRP  23           HH2      TRP  23   3.487  -0.534   2.420
  186    H    HIS  24           HN       ZHI  24   8.962   2.107  -2.819
  187    HA   HIS  24           HA       ZHI  24  10.575   4.058  -4.312
  188   1HB   HIS  24           HBS      ZHI  24   9.412   1.390  -5.234
  189   2HB   HIS  24           HBR      ZHI  24  10.510   2.447  -6.170
  190    HD2  HIS  24           HD2      ZHI  24  12.875   3.022  -4.212
  191    HE1  HIS  24           HE1      ZHI  24  12.713  -0.871  -2.694
  192    HE2  HIS  24           HE2      ZHI  24  14.226   1.093  -3.139
  193    H    ARG  25           HN       ARG  25   9.928   4.918  -6.327
  194    HA   ARG  25           HA       ARG  25   7.326   6.028  -6.266
  195   1HB   ARG  25           HBR      ARG  25   9.715   6.593  -7.564
  196   2HB   ARG  25           HBS      ARG  25   8.617   6.122  -8.893
  197   1HG   ARG  25           HGS      ARG  25   7.531   8.067  -8.799
  198   2HG   ARG  25           HGR      ARG  25   7.329   7.954  -7.028
  199   1HD   ARG  25           HDR      ARG  25   8.916   9.445  -6.704
  200   2HD   ARG  25           HDS      ARG  25  10.070   8.488  -7.673
  201    HE   ARG  25           HE       ARG  25   8.436  10.754  -8.590
  202   1HH1  ARG  25           HH1      ARG  25  10.869   8.298  -9.279
  203   2HH1  ARG  25           HH1      ARG  25  11.198   8.913 -10.865
  204   1HH2  ARG  25           HH2      ARG  25   8.806  11.456 -10.714
  205   2HH2  ARG  25           HH2      ARG  25  10.034  10.701 -11.676
  206    HA   PRO  26           HA       PRO  26   6.512   3.076 -10.084
  207   1HB   PRO  26           HBS      PRO  26   8.307   0.974  -9.742
  208   2HB   PRO  26           HBR      PRO  26   8.026   1.841 -11.107
  209   1HG   PRO  26           HGR      PRO  26  10.244   1.970  -9.638
  210   2HG   PRO  26           HGS      PRO  26   9.770   3.111 -10.760
  211   1HD   PRO  26           HDS      PRO  26   9.672   3.267  -7.951
  212   2HD   PRO  26           HDR      PRO  26   9.657   4.502  -9.053
  213    H    CYS  27           HN       CYS  27   7.299   2.282  -6.916
  214    HA   CYS  27           HA       CYS  27   5.786  -0.182  -6.925
  215   1HB   CYS  27           HBS      CYS  27   7.520   1.304  -5.014
  216   2HB   CYS  27           HBR      CYS  27   6.318   0.170  -4.336
  217    H    LEU  28           HN       LEU  28   5.441   2.981  -5.285
  218    HA   LEU  28           HA       LEU  28   3.098   2.181  -3.795
  219   1HB   LEU  28           HBR      LEU  28   4.930   3.982  -3.361
  220   2HB   LEU  28           HBS      LEU  28   3.903   5.017  -4.394
  221    HG   LEU  28           HG       LEU  28   2.067   4.102  -2.622
  222   1HD1  LEU  28           HMD      LEU  28   4.543   3.367  -1.485
  223   2HD1  LEU  28           HMD      LEU  28   4.001   4.816  -0.602
  224   3HD1  LEU  28           HMD      LEU  28   2.942   3.387  -0.702
  225   1HD2  LEU  28           HMD      LEU  28   3.704   6.486  -3.071
  226   2HD2  LEU  28           HMD      LEU  28   1.959   6.337  -2.739
  227   3HD2  LEU  28           HMD      LEU  28   3.124   6.353  -1.391
  228    H    LYS  29           HN       LYS  29   1.709   1.308  -5.331
  229    HA   LYS  29           HA       LYS  29   0.282   3.161  -7.114
  230   1HB   LYS  29           HBS      LYS  29   2.032   0.903  -8.139
  231   2HB   LYS  29           HBR      LYS  29   0.762   1.721  -9.094
  232   1HG   LYS  29           HGR      LYS  29   2.148   3.889  -8.337
  233   2HG   LYS  29           HGS      LYS  29   3.468   2.687  -8.255
  234   1HD   LYS  29           HDR      LYS  29   1.723   3.253 -10.641
  235   2HD   LYS  29           HDS      LYS  29   3.340   3.861 -10.415
  236   1HE   LYS  29           HER      LYS  29   3.369   1.029 -10.046
  237   2HE   LYS  29           HES      LYS  29   2.494   1.406 -11.558
  238   1HZ   LYS  29           HZA      LYS  29   4.972   2.809 -11.084
  239   2HZ   LYS  29           HZB      LYS  29   5.094   1.220 -11.440
  240   3HZ   LYS  29           HZC      LYS  29   4.347   2.234 -12.479
  241    H    CYS  30           HN       CYS  30  -1.734   2.515  -7.456
  242    HA   CYS  30           HA       CYS  30  -2.890   0.299  -6.190
  243   1HB   CYS  30           HBS      CYS  30  -3.896   2.477  -7.298
  244   2HB   CYS  30           HBR      CYS  30  -4.149   1.359  -8.671
  245    H    GLU  31           HN       GLU  31  -2.830  -1.765  -6.557
  246    HA   GLU  31           HA       GLU  31  -2.442  -2.789  -9.335
  247   1HB   GLU  31           HBR      GLU  31  -2.069  -4.924  -8.231
  248   2HB   GLU  31           HBS      GLU  31  -0.962  -3.724  -7.838
  249   1HG   GLU  31           HGR      GLU  31  -2.279  -3.226  -5.661
  250   2HG   GLU  31           HGS      GLU  31  -3.158  -4.726  -6.063
  251    H    LYS  32           HN       LYS  32  -4.801  -1.406  -8.029
  252    HA   LYS  32           HA       LYS  32  -6.800  -3.521  -8.677
  253   1HB   LYS  32           HBS      LYS  32  -6.804  -1.994  -6.473
  254   2HB   LYS  32           HBR      LYS  32  -7.642  -0.878  -7.589
  255   1HG   LYS  32           HGR      LYS  32  -8.591  -3.710  -7.531
  256   2HG   LYS  32           HGS      LYS  32  -8.936  -2.707  -6.095
  257   1HD   LYS  32           HDS      LYS  32 -10.784  -2.204  -7.247
  258   2HD   LYS  32           HDR      LYS  32  -9.723  -0.972  -7.874
  259   1HE   LYS  32           HER      LYS  32  -9.161  -2.801  -9.677
  260   2HE   LYS  32           HES      LYS  32 -10.780  -3.401  -9.218
  261   1HZ   LYS  32           HZC      LYS  32 -10.366  -0.580  -9.842
  262   2HZ   LYS  32           HZA      LYS  32 -10.576  -1.664 -11.047
  263   3HZ   LYS  32           HZB      LYS  32 -11.740  -1.460  -9.919
  264    H    CYS  33           HN       CYS  33  -6.236   0.005  -9.036
  265    HA   CYS  33           HA       CYS  33  -7.576  -0.210 -11.660
  266   1HB   CYS  33           HBS      CYS  33  -8.191   2.077 -11.432
  267   2HB   CYS  33           HBR      CYS  33  -8.636   1.156  -9.970
  268    H    GLY  34           HN       GLY  34  -4.491   0.235 -10.327
  269   1HA   GLY  34           HAR      GLY  34  -2.448   0.652 -11.305
  270   2HA   GLY  34           HAS      GLY  34  -3.283   0.709 -12.879
  271    H    LYS  35           HN       LYS  35  -3.843   2.718  -9.986
  272    HA   LYS  35           HA       LYS  35  -2.958   5.125 -11.502
  273   1HB   LYS  35           HBR      LYS  35  -4.897   4.658  -9.296
  274   2HB   LYS  35           HBS      LYS  35  -3.881   6.123  -9.173
  275   1HG   LYS  35           HGR      LYS  35  -6.096   6.499 -10.287
  276   2HG   LYS  35           HGS      LYS  35  -4.686   6.943 -11.292
  277   1HD   LYS  35           HDS      LYS  35  -4.945   5.170 -12.725
  278   2HD   LYS  35           HDR      LYS  35  -5.805   4.208 -11.555
  279   1HE   LYS  35           HES      LYS  35  -7.748   5.760 -11.747
  280   2HE   LYS  35           HER      LYS  35  -6.871   6.569 -13.076
  281   1HZ   LYS  35           HZA      LYS  35  -6.818   4.412 -14.188
  282   2HZ   LYS  35           HZB      LYS  35  -7.737   3.761 -13.006
  283   3HZ   LYS  35           HZC      LYS  35  -8.343   4.946 -13.952
  284    H    THR  36           HN       THR  36  -0.990   5.804 -11.147
  285    HA   THR  36           HA       THR  36   0.728   5.002  -8.998
  286    HB   THR  36           HB       THR  36   0.873   7.501 -10.780
  287    HG1  THR  36           HG1      THR  36   0.985   6.183 -12.011
  288   1HG2  THR  36           HMG      THR  36   2.328   7.226  -8.567
  289   2HG2  THR  36           HMG      THR  36   3.313   6.213  -9.655
  290   3HG2  THR  36           HMG      THR  36   2.994   7.918 -10.068
  291    H    LEU  37           HN       LEU  37   1.119   5.875  -7.060
  292    HA   LEU  37           HA       LEU  37  -1.180   7.391  -6.043
  293   1HB   LEU  37           HBR      LEU  37   0.918   5.631  -4.737
  294   2HB   LEU  37           HBS      LEU  37  -0.477   6.368  -3.900
  295    HG   LEU  37           HG       LEU  37  -0.664   4.354  -6.155
  296   1HD1  LEU  37           HMD      LEU  37   0.055   3.939  -3.468
  297   2HD1  LEU  37           HMD      LEU  37  -1.671   3.511  -3.574
  298   3HD1  LEU  37           HMD      LEU  37  -0.489   2.719  -4.648
  299   1HD2  LEU  37           HMD      LEU  37  -2.479   6.229  -5.199
  300   2HD2  LEU  37           HMD      LEU  37  -2.865   4.756  -6.124
  301   3HD2  LEU  37           HMD      LEU  37  -2.924   4.732  -4.344
  302    H    THR  38           HN       THR  38  -1.027   9.052  -4.536
  303    HA   THR  38           HA       THR  38   1.344  10.746  -5.057
  304    HB   THR  38           HB       THR  38  -1.527  11.447  -4.225
  305    HG1  THR  38           HG1      THR  38   0.069  11.914  -6.374
  306   1HG2  THR  38           HMG      THR  38   0.880  13.229  -4.571
  307   2HG2  THR  38           HMG      THR  38  -0.785  13.826  -4.804
  308   3HG2  THR  38           HMG      THR  38  -0.290  13.156  -3.228
  309    H    SER  39           HN       SER  39   1.893  12.325  -3.331
  310    HA   SER  39           HA       SER  39   2.634  11.002  -0.962
  311   1HB   SER  39           HBS      SER  39   3.283  13.380  -2.177
  312   2HB   SER  39           HBR      SER  39   2.450  13.914  -0.689
  313    HG   SER  39           HG       SER  39   3.760  12.209   0.422
  314    H    GLY  40           HN       GLY  40   0.645  10.012  -0.317
  315   1HA   GLY  40           HAR      GLY  40  -0.581   9.882   1.666
  316   2HA   GLY  40           HAS      GLY  40  -0.589  11.665   1.776
  317    H    GLY  41           HN       GLY  41  -1.608   9.372  -0.781
  318   1HA   GLY  41           HAR      GLY  41  -4.458   9.917  -0.079
  319   2HA   GLY  41           HAS      GLY  41  -3.907  10.076  -1.766
  320    H    HIS  42           HN       HIS  42  -2.055   7.676  -0.391
  321    HA   HIS  42           HA       HIS  42  -3.774   5.637  -1.589
  322   1HB   HIS  42           HBS      HIS  42  -1.764   4.337  -1.895
  323   2HB   HIS  42           HBR      HIS  42  -1.468   6.013  -2.441
  324    HD1  HIS  42           HD1      HIS  42   0.124   3.414  -0.479
  325    HD2  HIS  42           HD2      HIS  42  -0.062   7.575  -0.383
  326    HE1  HIS  42           HE1      HIS  42   2.068   4.178   0.905
  327    HE2  HIS  42           HE2      HIS  42   1.994   6.697   0.918
  328    H    ALA  43           HN       ALA  43  -2.707   3.336  -0.656
  329    HA   ALA  43           HA       ALA  43  -2.652   3.353   2.256
  330   1HB   ALA  43           HMB      ALA  43  -4.761   1.866   0.695
  331   2HB   ALA  43           HMB      ALA  43  -4.190   1.314   2.291
  332   3HB   ALA  43           HMB      ALA  43  -4.953   2.916   2.122
  333    H    GLU  44           HN       GLU  44  -2.537   0.692   2.721
  334    HA   GLU  44           HA       GLU  44  -1.621  -0.928   0.564
  335   1HB   GLU  44           HBR      GLU  44   0.670  -1.316   1.387
  336   2HB   GLU  44           HBS      GLU  44   0.369   0.165   0.657
  337   1HG   GLU  44           HGS      GLU  44   1.398   1.165   2.321
  338   2HG   GLU  44           HGR      GLU  44  -0.087   0.919   3.279
  339    H    HIS  45           HN       HIS  45  -1.646  -3.068   1.105
  340    HA   HIS  45           HA       HIS  45  -2.004  -3.820   3.955
  341   1HB   HIS  45           HBS      HIS  45  -2.385  -6.108   3.228
  342   2HB   HIS  45           HBR      HIS  45  -3.503  -5.019   2.359
  343    HD1  HIS  45           HD1      HIS  45  -0.202  -6.894   1.731
  344    HD2  HIS  45           HD2      HIS  45  -3.563  -5.457  -0.267
  345    HE1  HIS  45           HE1      HIS  45  -0.133  -7.884  -0.571
  346    HE2  HIS  45           HE2      HIS  45  -2.167  -7.023  -1.783
  347    H    GLU  46           HN       GLU  46  -0.653  -6.211   3.941
  348    HA   GLU  46           HA       GLU  46   1.990  -5.436   4.448
  349   1HB   GLU  46           HBR      GLU  46   0.560  -8.033   3.990
  350   2HB   GLU  46           HBS      GLU  46   2.237  -8.021   4.027
  351   1HG   GLU  46           HGS      GLU  46   2.174  -8.264   6.210
  352   2HG   GLU  46           HGR      GLU  46   1.770  -6.530   6.318
  353    H    GLY  47           HN       GLY  47   2.868  -4.305   2.741
  354   1HA   GLY  47           HAR      GLY  47   4.368  -4.127   1.010
  355   2HA   GLY  47           HAS      GLY  47   4.389  -5.910   0.942
  356    H    LYS  48           HN       LYS  48   1.508  -3.880   0.575
  357    HA   LYS  48           HA       LYS  48   1.810  -3.601  -2.297
  358   1HB   LYS  48           HBR      LYS  48  -0.572  -5.163  -1.243
  359   2HB   LYS  48           HBS      LYS  48  -0.311  -4.609  -2.921
  360   1HG   LYS  48           HGS      LYS  48   1.525  -6.561  -1.484
  361   2HG   LYS  48           HGR      LYS  48   0.148  -7.057  -2.508
  362   1HD   LYS  48           HDR      LYS  48   1.829  -5.130  -3.843
  363   2HD   LYS  48           HDS      LYS  48   2.813  -6.437  -3.249
  364   1HE   LYS  48           HER      LYS  48   0.439  -7.512  -4.432
  365   2HE   LYS  48           HES      LYS  48   1.186  -6.346  -5.560
  366   1HZ   LYS  48           HZB      LYS  48   3.302  -7.658  -4.829
  367   2HZ   LYS  48           HZC      LYS  48   2.223  -8.854  -4.558
  368   3HZ   LYS  48           HZA      LYS  48   2.352  -8.190  -6.045
  369    HA   PRO  49           HA       PRO  49  -0.486  -0.051  -0.927
  370   1HB   PRO  49           HBR      PRO  49   0.478   1.483  -2.894
  371   2HB   PRO  49           HBS      PRO  49   1.098   1.415  -1.373
  372   1HG   PRO  49           HGS      PRO  49   2.161   0.356  -3.719
  373   2HG   PRO  49           HGR      PRO  49   2.938   0.666  -2.276
  374   1HD   PRO  49           HDS      PRO  49   2.179  -1.770  -3.181
  375   2HD   PRO  49           HDR      PRO  49   2.739  -1.427  -1.663
  376    H    TYR  50           HN       TYR  50  -2.244   1.110  -1.663
  377    HA   TYR  50           HA       TYR  50  -2.943   0.780  -4.458
  378   1HB   TYR  50           HBR      TYR  50  -5.070   0.069  -2.412
  379   2HB   TYR  50           HBS      TYR  50  -5.175  -0.017  -4.193
  380    HD1  TYR  50           HD1      TYR  50  -3.175  -1.484  -1.358
  381    HD2  TYR  50           HD2      TYR  50  -5.069  -2.116  -5.112
  382    HE1  TYR  50           HE1      TYR  50  -2.718  -3.892  -1.176
  383    HE2  TYR  50           HE2      TYR  50  -4.667  -4.528  -4.918
  384    HH   TYR  50           HH       TYR  50  -4.462  -6.152  -3.244
  385    H    CYS  51           HN       CYS  51  -5.254   2.026  -4.652
  386    HA   CYS  51           HA       CYS  51  -5.279   4.617  -3.615
  387   1HB   CYS  51           HBS      CYS  51  -7.625   2.809  -4.239
  388   2HB   CYS  51           HBR      CYS  51  -7.750   4.552  -3.874
  389    H    ASN  52           HN       ASN  52  -5.707   5.565  -1.770
  390    HA   ASN  52           HA       ASN  52  -6.399   4.215   0.645
  391   1HB   ASN  52           HBS      ASN  52  -5.296   6.421   0.537
  392   2HB   ASN  52           HBR      ASN  52  -6.843   7.126  -0.012
  393   1HD2  ASN  52           HD2      ASN  52  -6.341   7.443   3.739
  394   2HD2  ASN  52           HD2      ASN  52  -5.309   7.774   2.389
  395    H    HIS  53           HN       HIS  53  -8.265   5.590  -1.991
  396    HA   HIS  53           HA       HIS  53 -10.351   3.669  -1.446
  397   1HB   HIS  53           HBS      HIS  53 -10.919   6.615  -0.987
  398   2HB   HIS  53           HBR      HIS  53 -12.177   5.512  -1.616
  399    HD1  HIS  53           HD1      HIS  53 -13.294   3.917   0.091
  400    HD2  HIS  53           HD2      HIS  53 -10.161   6.165   1.663
  401    HE1  HIS  53           HE1      HIS  53 -13.494   3.758   2.583
  402    HE2  HIS  53           HE2      HIS  53 -11.606   5.124   3.542
  403    HA   PRO  54           HA       PRO  54 -12.369   3.593  -2.014
  404   1HB   PRO  54           HBR      PRO  54 -13.768   2.108  -3.727
  405   2HB   PRO  54           HBS      PRO  54 -14.254   3.572  -3.162
  406   1HG   PRO  54           HGR      PRO  54 -13.415   2.937  -5.726
  407   2HG   PRO  54           HGS      PRO  54 -14.143   4.337  -5.182
  408   1HD   PRO  54           HDS      PRO  54 -11.475   3.948  -5.751
  409   2HD   PRO  54           HDR      PRO  54 -12.209   5.349  -5.269
  410    H    CYS  55           HN       CYS  55 -10.092   2.495  -4.097
  411    HA   CYS  55           HA       CYS  55 -10.717  -0.163  -4.346
  412   1HB   CYS  55           HBS      CYS  55  -7.938   1.043  -4.378
  413   2HB   CYS  55           HBR      CYS  55  -8.422  -0.533  -5.070
  414    H    TYR  56           HN       TYR  56  -8.619   1.322  -1.879
  415    HA   TYR  56           HA       TYR  56  -7.869  -1.074  -0.549
  416   1HB   TYR  56           HBR      TYR  56  -6.725   1.025  -0.135
  417   2HB   TYR  56           HBS      TYR  56  -8.218   1.753   0.520
  418    HD1  TYR  56           HD1      TYR  56  -9.149   0.818   2.705
  419    HD2  TYR  56           HD2      TYR  56  -5.323  -0.310   1.231
  420    HE1  TYR  56           HE1      TYR  56  -8.542  -0.016   4.935
  421    HE2  TYR  56           HE2      TYR  56  -4.705  -1.152   3.450
  422    HH   TYR  56           HH       TYR  56  -6.820  -0.614   6.250
  423    H    SER  57           HN       SER  57 -10.595   1.180  -0.044
  424    HA   SER  57           HA       SER  57 -11.596  -0.260   2.192
  425   1HB   SER  57           HBS      SER  57 -12.062   2.045   2.061
  426   2HB   SER  57           HBR      SER  57 -12.811   1.892   0.445
  427    HG   SER  57           HG       SER  57 -13.770   1.543   3.044
  428    H    ALA  58           HN       ALA  58 -12.119  -0.525  -1.244
  429    HA   ALA  58           HA       ALA  58 -14.599  -1.971  -1.034
  430   1HB   ALA  58           HMB      ALA  58 -14.024  -0.591  -2.967
  431   2HB   ALA  58           HMB      ALA  58 -12.664  -1.677  -3.350
  432   3HB   ALA  58           HMB      ALA  58 -14.339  -2.281  -3.439
  433    H    MET  59           HN       MET  59 -11.212  -2.873  -1.711
  434    HA   MET  59           HA       MET  59 -11.935  -5.621  -2.217
  435   1HB   MET  59           HBS      MET  59  -9.552  -3.916  -2.488
  436   2HB   MET  59           HBR      MET  59  -9.202  -5.611  -2.043
  437   1HG   MET  59           HGR      MET  59 -10.760  -6.302  -3.930
  438   2HG   MET  59           HGS      MET  59 -10.760  -4.604  -4.460
  439   1HE   MET  59           HME      MET  59  -9.847  -7.484  -5.431
  440   2HE   MET  59           HME      MET  59  -8.328  -7.325  -6.349
  441   3HE   MET  59           HME      MET  59  -8.302  -7.971  -4.689
  442    H    PHE  60           HN       PHE  60 -10.271  -3.863   0.389
  443    HA   PHE  60           HA       PHE  60  -9.696  -6.382   1.761
  444   1HB   PHE  60           HBR      PHE  60  -8.682  -3.585   1.955
  445   2HB   PHE  60           HBS      PHE  60  -8.760  -4.504   3.486
  446    HD1  PHE  60           HD2      PHE  60  -7.391  -4.755  -0.033
  447    HD2  PHE  60           HD1      PHE  60  -7.195  -6.006   4.036
  448    HE1  PHE  60           HE2      PHE  60  -5.353  -6.062  -0.539
  449    HE2  PHE  60           HE1      PHE  60  -5.167  -7.304   3.562
  450    HZ   PHE  60           HZ       PHE  60  -4.281  -7.387   1.261
  451    H    GLY  61           HN       GLY  61 -11.635  -7.124   2.504
  452   1HA   GLY  61           HAS      GLY  61 -13.009  -5.482   4.575
  453   2HA   GLY  61           HAR      GLY  61 -13.697  -6.891   3.722
  454    HA   PRO  62           HA       PRO  62 -12.371  -7.968   7.955
  455   1HB   PRO  62           HBR      PRO  62 -14.444  -9.636   8.405
  456   2HB   PRO  62           HBS      PRO  62 -14.343  -8.080   8.918
  457   1HG   PRO  62           HGS      PRO  62 -15.868  -9.117   6.827
  458   2HG   PRO  62           HGR      PRO  62 -16.072  -7.678   7.649
  459   1HD   PRO  62           HDS      PRO  62 -15.094  -7.888   5.170
  460   2HD   PRO  62           HDR      PRO  62 -14.923  -6.562   6.143
  461    H    LYS  63           HN       LYS  63 -13.994 -10.683   6.532
  462    HA   LYS  63           HA       LYS  63 -12.326 -12.522   7.792
  463   1HB   LYS  63           HBR      LYS  63 -13.176 -14.147   6.013
  464   2HB   LYS  63           HBS      LYS  63 -14.383 -13.342   7.057
  465   1HG   LYS  63           HGR      LYS  63 -13.844 -11.855   4.583
  466   2HG   LYS  63           HGS      LYS  63 -14.454 -13.507   4.283
  467   1HD   LYS  63           HDS      LYS  63 -15.979 -12.317   6.388
  468   2HD   LYS  63           HDR      LYS  63 -15.871 -11.182   5.072
  469   1HE   LYS  63           HES      LYS  63 -16.389 -13.707   3.905
  470   2HE   LYS  63           HER      LYS  63 -17.495 -13.495   5.292
  471   1HZ   LYS  63           HZB      LYS  63 -17.109 -11.496   3.175
  472   2HZ   LYS  63           HZC      LYS  63 -18.327 -12.582   3.195
  473   3HZ   LYS  63           HZA      LYS  63 -18.219 -11.455   4.372
  474    H    GLY  64           HN       GLY  64 -10.561 -13.688   7.242
  475   1HA   GLY  64           HAR      GLY  64  -9.432 -13.914   4.597
  476   2HA   GLY  64           HAS      GLY  64  -8.621 -12.640   5.545
  477    H    PHE  65           HN       PHE  65  -9.544 -16.070   5.522
  478    HA   PHE  65           HA       PHE  65  -7.744 -16.872   7.648
  479   1HB   PHE  65           HBS      PHE  65  -8.913 -18.550   5.383
  480   2HB   PHE  65           HBR      PHE  65  -8.041 -19.162   6.819
  481    HD1  PHE  65           HD1      PHE  65 -10.949 -17.168   5.763
  482    HD2  PHE  65           HD2      PHE  65  -9.311 -19.627   8.833
  483    HE1  PHE  65           HE1      PHE  65 -13.136 -17.198   6.876
  484    HE2  PHE  65           HE2      PHE  65 -11.504 -19.673   9.975
  485    HZ   PHE  65           HZ       PHE  65 -13.432 -18.500   8.950
  486    H    GLY  66           HN       GLY  66  -7.595 -16.435   4.147
  487   1HA   GLY  66           HAR      GLY  66  -5.114 -15.993   3.407
  488   2HA   GLY  66           HAS      GLY  66  -4.878 -17.631   4.076
  489    H    ARG  67           HN       ARG  67  -7.276 -18.838   3.351
  490    HA   ARG  67           HA       ARG  67  -8.483 -19.787   1.660
  491   1HB   ARG  67           HBS      ARG  67  -8.556 -17.104   1.138
  492   2HB   ARG  67           HBR      ARG  67  -7.854 -17.745  -0.376
  493   1HG   ARG  67           HGS      ARG  67 -10.021 -17.956  -0.972
  494   2HG   ARG  67           HGR      ARG  67  -9.914 -19.472  -0.033
  495   1HD   ARG  67           HDS      ARG  67 -10.470 -17.714   1.931
  496   2HD   ARG  67           HDR      ARG  67 -11.307 -16.943   0.555
  497    HE   ARG  67           HE       ARG  67 -11.810 -19.808   0.984
  498   1HH1  ARG  67           HH1      ARG  67 -12.973 -16.480   1.057
  499   2HH1  ARG  67           HH1      ARG  67 -14.598 -16.942   1.436
  500   1HH2  ARG  67           HH2      ARG  67 -13.916 -20.365   1.607
  501   2HH2  ARG  67           HH2      ARG  67 -15.134 -19.139   1.746
  502    H    GLY  68           HN       GLY  68  -7.690 -21.558   0.833
  503   1HA   GLY  68           HAR      GLY  68  -5.012 -21.928   0.136
  504   2HA   GLY  68           HAS      GLY  68  -6.332 -23.056  -0.268
  505    H    GLY  69           HN       GLY  69  -3.850 -21.722  -1.655
  506   1HA   GLY  69           HAS      GLY  69  -3.667 -22.228  -4.028
  507   2HA   GLY  69           HAR      GLY  69  -5.252 -21.450  -4.276
  508    H    ALA  70           HN       ALA  70  -2.041 -20.691  -2.864
  509    HA   ALA  70           HA       ALA  70  -1.978 -18.268  -4.573
  510   1HB   ALA  70           HMB      ALA  70  -2.108 -18.223  -1.759
  511   2HB   ALA  70           HMB      ALA  70  -0.416 -17.870  -2.191
  512   3HB   ALA  70           HMB      ALA  70  -1.733 -16.881  -2.869
  513    H    GLU  71           HN       GLU  71  -0.067 -20.429  -2.449
  514    HA   GLU  71           HA       GLU  71   2.015 -20.527  -4.566
  515   1HB   GLU  71           HBS      GLU  71   2.493 -20.373  -1.622
  516   2HB   GLU  71           HBR      GLU  71   3.712 -20.546  -2.764
  517   1HG   GLU  71           HGS      GLU  71   1.948 -18.191  -2.105
  518   2HG   GLU  71           HGR      GLU  71   3.731 -18.161  -2.176
  519    H    SER  72           HN       SER  72   0.953 -21.871  -1.411
  520    HA   SER  72           HA       SER  72   0.411 -23.987  -0.769
  521   1HB   SER  72           HBS      SER  72  -1.093 -23.942  -2.647
  522   2HB   SER  72           HBR      SER  72   0.215 -24.430  -3.763
  523    HG   SER  72           HG       SER  72  -1.021 -26.201  -3.336
  524    H    HIS  73           HN       HIS  73   2.113 -24.871  -3.770
  525    HA   HIS  73           HA       HIS  73   3.729 -26.724  -2.157
  526   1HB   HIS  73           HBR      HIS  73   4.379 -27.619  -4.492
  527   2HB   HIS  73           HBS      HIS  73   2.713 -27.897  -3.907
  528    HD1  HIS  73           HD1      HIS  73   4.622 -26.291  -6.691
  529    HD2  HIS  73           HD2      HIS  73   0.761 -26.208  -5.132
  530    HE1  HIS  73           HE1      HIS  73   3.154 -25.349  -8.489
  531    HE2  HIS  73           HE2      HIS  73   0.812 -25.318  -7.561
  532    H    THR  74           HN       THR  74   4.209 -23.711  -2.614
  533    HA   THR  74           HA       THR  74   6.037 -22.343  -2.699
  534    HB   THR  74           HB       THR  74   6.498 -24.027  -0.813
  535    HG1  THR  74           HG1      THR  74   7.342 -22.308  -1.011
  536   1HG2  THR  74           HMG      THR  74   7.933 -25.402  -2.996
  537   2HG2  THR  74           HMG      THR  74   8.856 -25.189  -1.488
  538   3HG2  THR  74           HMG      THR  74   7.287 -26.031  -1.460
  539    H    PHE  75           HN       PHE  75   8.716 -22.812  -3.243
  540    HA   PHE  75           HA       PHE  75  10.205 -22.749  -4.983
  541   1HB   PHE  75           HBS      PHE  75   8.310 -24.158  -6.870
  542   2HB   PHE  75           HBR      PHE  75  10.096 -24.136  -6.851
  543    HD1  PHE  75           HD2      PHE  75  10.561 -24.877  -3.929
  544    HD2  PHE  75           HD1      PHE  75   7.788 -26.342  -6.813
  545    HE1  PHE  75           HE2      PHE  75  10.524 -27.062  -2.772
  546    HE2  PHE  75           HE1      PHE  75   7.737 -28.521  -5.686
  547    HZ   PHE  75           HZ       PHE  75   9.149 -28.903  -3.701
  548    H    LYS  76           HN       LYS  76   7.021 -22.739  -6.623
  549    HA   LYS  76           HA       LYS  76   7.114 -19.823  -6.808
  550   1HB   LYS  76           HBS      LYS  76   7.134 -21.592  -9.264
  551   2HB   LYS  76           HBR      LYS  76   6.462 -19.938  -9.266
  552   1HG   LYS  76           HGR      LYS  76   9.009 -19.707  -8.086
  553   2HG   LYS  76           HGS      LYS  76   9.226 -20.823  -9.466
  554   1HD   LYS  76           HDS      LYS  76   7.770 -18.998 -10.709
  555   2HD   LYS  76           HDR      LYS  76   8.364 -17.973  -9.431
  556   1HE   LYS  76           HES      LYS  76   9.937 -17.635 -11.065
  557   2HE   LYS  76           HER      LYS  76  10.693 -18.885 -10.037
  558   1HZ   LYS  76           HZC      LYS  76   9.497 -20.432 -11.708
  559   2HZ   LYS  76           HZA      LYS  76   9.566 -19.137 -12.699
  560   3HZ   LYS  76           HZB      LYS  76  10.941 -19.769 -12.087
   
  No H/Q in entry =         560
  Start of MODEL   14
    1    H    PRO   1           HN       PRO   1  14.779   3.371   5.792
    2    HA   PRO   1           HA       PRO   1  13.469   4.174   3.872
    3   1HB   PRO   1           HBR      PRO   1  15.500   5.050   2.309
    4   2HB   PRO   1           HBS      PRO   1  14.304   5.981   2.943
    5   1HG   PRO   1           HGR      PRO   1  16.967   5.804   3.764
    6   2HG   PRO   1           HGS      PRO   1  15.846   7.001   4.073
    7   1HD   PRO   1           HDR      PRO   1  16.665   5.184   5.854
    8   2HD   PRO   1           HDS      PRO   1  15.294   6.097   6.001
    9    H    LYS   2           HN       LYS   2  13.121   1.994   3.906
   10    HA   LYS   2           HA       LYS   2  14.555   0.787   1.640
   11   1HB   LYS   2           HBS      LYS   2  14.346  -1.469   2.936
   12   2HB   LYS   2           HBR      LYS   2  15.767  -0.414   3.175
   13   1HG   LYS   2           HGR      LYS   2  13.369  -0.263   5.013
   14   2HG   LYS   2           HGS      LYS   2  14.656  -1.477   5.259
   15   1HD   LYS   2           HDR      LYS   2  14.933   1.514   5.267
   16   2HD   LYS   2           HDS      LYS   2  15.031   0.459   6.648
   17   1HE   LYS   2           HER      LYS   2  17.188   0.087   6.299
   18   2HE   LYS   2           HES      LYS   2  16.906  -0.351   4.591
   19   1HZ   LYS   2           HZA      LYS   2  16.991   2.426   5.534
   20   2HZ   LYS   2           HZB      LYS   2  18.314   1.637   4.988
   21   3HZ   LYS   2           HZC      LYS   2  17.045   1.890   3.991
   22    H    CYS   3           HN       CYS   3  13.258  -0.419   0.373
   23    HA   CYS   3           HA       CYS   3  10.558   0.305   0.582
   24   1HB   CYS   3           HBS      CYS   3  11.983   0.177  -1.461
   25   2HB   CYS   3           HBR      CYS   3  11.815  -1.599  -1.396
   26    HA   PRO   4           HA       PRO   4   8.894  -3.367   2.519
   27   1HB   PRO   4           HBR      PRO   4   6.388  -2.285   2.359
   28   2HB   PRO   4           HBS      PRO   4   7.315  -2.406   3.709
   29   1HG   PRO   4           HGS      PRO   4   6.635  -0.129   2.492
   30   2HG   PRO   4           HGR      PRO   4   7.806  -0.283   3.671
   31   1HD   PRO   4           HDS      PRO   4   8.138  -0.065   0.866
   32   2HD   PRO   4           HDR      PRO   4   9.190   0.379   2.065
   33    H    LYS   5           HN       LYS   5   8.457  -2.055  -0.489
   34    HA   LYS   5           HA       LYS   5   6.412  -3.974  -1.389
   35   1HB   LYS   5           HBR      LYS   5   7.056  -1.442  -2.211
   36   2HB   LYS   5           HBS      LYS   5   7.917  -2.448  -3.411
   37   1HG   LYS   5           HGR      LYS   5   5.119  -3.263  -2.849
   38   2HG   LYS   5           HGS      LYS   5   5.307  -1.665  -3.627
   39   1HD   LYS   5           HDR      LYS   5   5.568  -2.611  -5.556
   40   2HD   LYS   5           HDS      LYS   5   7.053  -3.343  -5.011
   41   1HE   LYS   5           HES      LYS   5   5.393  -4.928  -5.996
   42   2HE   LYS   5           HER      LYS   5   5.917  -5.331  -4.337
   43   1HZ   LYS   5           HZA      LYS   5   3.733  -3.720  -4.075
   44   2HZ   LYS   5           HZB      LYS   5   3.336  -4.747  -5.282
   45   3HZ   LYS   5           HZC      LYS   5   3.795  -5.333  -3.828
   46    H    CYS   6           HN       CYS   6   9.596  -3.037  -2.732
   47    HA   CYS   6           HA       CYS   6   9.669  -5.695  -3.958
   48   1HB   CYS   6           HBS      CYS   6  11.377  -4.775  -5.421
   49   2HB   CYS   6           HBR      CYS   6   9.882  -3.805  -5.404
   50    H    ASP   7           HN       ASP   7  11.101  -4.102  -1.311
   51    HA   ASP   7           HA       ASP   7  12.791  -4.594   0.109
   52   1HB   ASP   7           HBS      ASP   7  11.868  -7.006  -0.471
   53   2HB   ASP   7           HBR      ASP   7  13.500  -7.169  -1.183
   54    H    LYS   8           HN       LYS   8  13.386  -2.808  -1.634
   55    HA   LYS   8           HA       LYS   8  16.291  -3.386  -1.961
   56   1HB   LYS   8           HBR      LYS   8  14.688  -2.412  -3.985
   57   2HB   LYS   8           HBS      LYS   8  15.323  -0.920  -3.234
   58   1HG   LYS   8           HGR      LYS   8  17.604  -2.398  -3.412
   59   2HG   LYS   8           HGS      LYS   8  16.709  -3.003  -4.835
   60   1HD   LYS   8           HDR      LYS   8  17.191  -1.233  -5.987
   61   2HD   LYS   8           HDS      LYS   8  16.430  -0.191  -4.818
   62   1HE   LYS   8           HER      LYS   8  18.732   0.453  -5.263
   63   2HE   LYS   8           HES      LYS   8  18.526  -0.045  -3.559
   64   1HZ   LYS   8           HZB      LYS   8  19.236  -2.210  -5.229
   65   2HZ   LYS   8           HZC      LYS   8  20.349  -1.017  -5.310
   66   3HZ   LYS   8           HZA      LYS   8  19.958  -1.671  -3.865
   67    H    GLU   9           HN       GLU   9  17.231  -0.855  -1.970
   68    HA   GLU   9           HA       GLU   9  16.038   0.508   0.410
   69   1HB   GLU   9           HBR      GLU   9  18.648   1.414  -0.607
   70   2HB   GLU   9           HBS      GLU   9  18.005   1.376   0.939
   71   1HG   GLU   9           HGR      GLU   9  18.596  -0.863   1.441
   72   2HG   GLU   9           HGS      GLU   9  18.684  -1.248  -0.299
   73    H    VAL  10           HN       VAL  10  15.748   2.768   0.214
   74    HA   VAL  10           HA       VAL  10  14.949   3.334  -2.577
   75    HB   VAL  10           HB       VAL  10  13.700   3.908   0.107
   76   1HG1  VAL  10           HMG      VAL  10  13.491   5.900  -1.487
   77   2HG1  VAL  10           HMG      VAL  10  12.458   4.842  -2.479
   78   3HG1  VAL  10           HMG      VAL  10  11.994   5.222  -0.804
   79   1HG2  VAL  10           HMG      VAL  10  13.509   1.738  -1.514
   80   2HG2  VAL  10           HMG      VAL  10  12.283   2.255  -0.334
   81   3HG2  VAL  10           HMG      VAL  10  12.108   2.709  -2.044
   82    H    TYR  11           HN       TYR  11  15.842   4.903  -3.631
   83    HA   TYR  11           HA       TYR  11  17.739   6.701  -2.256
   84   1HB   TYR  11           HBS      TYR  11  18.504   5.658  -4.313
   85   2HB   TYR  11           HBR      TYR  11  17.088   6.290  -5.198
   86    HD1  TYR  11           HD1      TYR  11  16.975   8.689  -5.792
   87    HD2  TYR  11           HD2      TYR  11  20.349   7.120  -3.731
   88    HE1  TYR  11           HE1      TYR  11  18.244  10.723  -6.330
   89    HE2  TYR  11           HE2      TYR  11  21.637   9.134  -4.288
   90    HH   TYR  11           HH       TYR  11  20.109  11.959  -5.622
   91    H    PHE  12           HN       PHE  12  17.642   8.996  -2.688
   92    HA   PHE  12           HA       PHE  12  15.385   9.827  -1.435
   93   1HB   PHE  12           HBR      PHE  12  17.544  11.095  -1.447
   94   2HB   PHE  12           HBS      PHE  12  17.127  11.725  -3.066
   95    HD1  PHE  12           HD2      PHE  12  14.772  13.004  -3.194
   96    HD2  PHE  12           HD1      PHE  12  16.970  12.225   0.373
   97    HE1  PHE  12           HE2      PHE  12  13.492  14.769  -2.027
   98    HE2  PHE  12           HE1      PHE  12  15.712  13.970   1.553
   99    HZ   PHE  12           HZ       PHE  12  13.930  15.202   0.374
  100    H    ALA  13           HN       ALA  13  16.151  11.213  -4.644
  101    HA   ALA  13           HA       ALA  13  13.628  12.068  -5.107
  102   1HB   ALA  13           HMB      ALA  13  16.072  11.647  -6.692
  103   2HB   ALA  13           HMB      ALA  13  14.584  11.705  -7.671
  104   3HB   ALA  13           HMB      ALA  13  15.002  13.068  -6.603
  105    H    GLU  14           HN       GLU  14  14.486   8.856  -5.150
  106    HA   GLU  14           HA       GLU  14  12.286   8.073  -6.958
  107   1HB   GLU  14           HBS      GLU  14  14.280   6.545  -5.337
  108   2HB   GLU  14           HBR      GLU  14  13.203   5.799  -6.385
  109   1HG   GLU  14           HGR      GLU  14  14.712   7.933  -7.794
  110   2HG   GLU  14           HGS      GLU  14  15.793   6.847  -6.879
  111    H    ARG  15           HN       ARG  15  12.081   9.322  -4.110
  112    HA   ARG  15           HA       ARG  15  11.126   7.011  -2.564
  113   1HB   ARG  15           HBR      ARG  15  11.413   8.315  -0.619
  114   2HB   ARG  15           HBS      ARG  15  12.832   8.619  -1.660
  115   1HG   ARG  15           HGS      ARG  15  11.762  10.768  -2.372
  116   2HG   ARG  15           HGR      ARG  15  10.477  10.469  -1.165
  117   1HD   ARG  15           HDS      ARG  15  13.240  10.220  -0.180
  118   2HD   ARG  15           HDR      ARG  15  12.750  11.856  -0.699
  119    HE   ARG  15           HE       ARG  15  10.741  11.440   0.863
  120   1HH1  ARG  15           HH1      ARG  15  14.067  10.419   1.432
  121   2HH1  ARG  15           HH1      ARG  15  13.835  10.238   3.138
  122   1HH2  ARG  15           HH2      ARG  15  10.441  11.067   3.078
  123   2HH2  ARG  15           HH2      ARG  15  11.784  10.606   4.070
  124    H    VAL  16           HN       VAL  16   9.181   6.814  -1.589
  125    HA   VAL  16           HA       VAL  16   7.600   9.194  -1.243
  126    HB   VAL  16           HB       VAL  16   5.475   8.371  -1.926
  127   1HG1  VAL  16           HMG      VAL  16   7.551   8.079  -4.104
  128   2HG1  VAL  16           HMG      VAL  16   5.796   8.075  -4.403
  129   3HG1  VAL  16           HMG      VAL  16   6.573   9.507  -3.687
  130   1HG2  VAL  16           HMG      VAL  16   6.863   5.770  -2.197
  131   2HG2  VAL  16           HMG      VAL  16   5.202   6.155  -1.686
  132   3HG2  VAL  16           HMG      VAL  16   5.619   6.140  -3.415
  133    H    THR  17           HN       THR  17   6.855   9.276   0.762
  134    HA   THR  17           HA       THR  17   7.584   6.949   2.468
  135    HB   THR  17           HB       THR  17   7.267   9.910   3.241
  136    HG1  THR  17           HG1      THR  17   8.839   9.813   2.295
  137   1HG2  THR  17           HMG      THR  17   6.830   7.875   4.957
  138   2HG2  THR  17           HMG      THR  17   8.603   8.016   5.083
  139   3HG2  THR  17           HMG      THR  17   7.570   9.427   5.424
  140    H    SER  18           HN       SER  18   6.144   5.996   3.750
  141    HA   SER  18           HA       SER  18   3.325   6.741   3.754
  142   1HB   SER  18           HBS      SER  18   3.634   4.259   2.252
  143   2HB   SER  18           HBR      SER  18   2.591   5.677   1.947
  144    HG   SER  18           HG       SER  18   4.442   4.890   0.439
  145    H    LEU  19           HN       LEU  19   2.383   5.826   5.409
  146    HA   LEU  19           HA       LEU  19   2.147   4.663   7.365
  147   1HB   LEU  19           HBR      LEU  19   3.323   2.475   5.624
  148   2HB   LEU  19           HBS      LEU  19   2.399   2.246   7.135
  149    HG   LEU  19           HG       LEU  19   0.950   1.730   5.334
  150   1HD1  LEU  19           HMD      LEU  19   0.421   4.546   6.333
  151   2HD1  LEU  19           HMD      LEU  19  -0.770   3.524   5.491
  152   3HD1  LEU  19           HMD      LEU  19  -0.125   3.021   7.074
  153   1HD2  LEU  19           HMD      LEU  19   2.433   3.018   3.695
  154   2HD2  LEU  19           HMD      LEU  19   0.676   3.061   3.402
  155   3HD2  LEU  19           HMD      LEU  19   1.489   4.460   4.148
  156    H    GLY  20           HN       GLY  20   4.765   6.029   6.704
  157   1HA   GLY  20           HAS      GLY  20   6.323   6.723   8.259
  158   2HA   GLY  20           HAR      GLY  20   5.807   5.389   9.323
  159    H    LYS  21           HN       LYS  21   6.586   4.462   6.110
  160    HA   LYS  21           HA       LYS  21   9.450   4.554   6.417
  161   1HB   LYS  21           HBR      LYS  21   8.031   1.896   6.437
  162   2HB   LYS  21           HBS      LYS  21   9.615   2.072   5.631
  163   1HG   LYS  21           HGR      LYS  21  10.117   3.244   8.054
  164   2HG   LYS  21           HGS      LYS  21   8.930   1.988   8.510
  165   1HD   LYS  21           HDS      LYS  21  11.104   1.072   8.754
  166   2HD   LYS  21           HDR      LYS  21  10.267   0.288   7.443
  167   1HE   LYS  21           HES      LYS  21  12.700   0.834   7.051
  168   2HE   LYS  21           HER      LYS  21  11.531   1.330   5.795
  169   1HZ   LYS  21           HZB      LYS  21  11.887   3.342   7.731
  170   2HZ   LYS  21           HZC      LYS  21  13.323   2.929   7.072
  171   3HZ   LYS  21           HZA      LYS  21  12.094   3.417   6.112
  172    H    ASP  22           HN       ASP  22  10.513   4.262   4.412
  173    HA   ASP  22           HA       ASP  22   8.859   5.577   2.488
  174   1HB   ASP  22           HBS      ASP  22  11.754   4.894   2.092
  175   2HB   ASP  22           HBR      ASP  22  10.813   6.266   1.438
  176    H    TRP  23           HN       TRP  23   9.119   5.163   0.118
  177    HA   TRP  23           HA       TRP  23   9.506   2.306  -0.597
  178   1HB   TRP  23           HBR      TRP  23   7.175   4.057  -1.393
  179   2HB   TRP  23           HBS      TRP  23   7.396   2.309  -1.724
  180    HD1  TRP  23           HD1      TRP  23   6.660   4.764   1.170
  181    HE1  TRP  23           HE1      TRP  23   5.166   3.561   2.886
  182    HE3  TRP  23           HE3      TRP  23   6.573   0.171  -1.008
  183    HZ2  TRP  23           HZ2      TRP  23   3.936   1.051   3.121
  184    HZ3  TRP  23           HZ3      TRP  23   5.230  -1.597   0.032
  185    HH2  TRP  23           HH2      TRP  23   3.865  -1.151   2.004
  186    H    HIS  24           HN       ZHI  24   9.286   2.100  -3.069
  187    HA   HIS  24           HA       ZHI  24  10.657   4.316  -4.413
  188   1HB   HIS  24           HBS      ZHI  24   9.828   1.597  -5.524
  189   2HB   HIS  24           HBR      ZHI  24  10.842   2.818  -6.347
  190    HD2  HIS  24           HD2      ZHI  24  13.029   3.527  -4.222
  191    HE1  HIS  24           HE1      ZHI  24  13.230  -0.444  -2.931
  192    HE2  HIS  24           HE2      ZHI  24  14.537   1.694  -3.191
  193    H    ARG  25           HN       ARG  25   9.932   5.384  -6.223
  194    HA   ARG  25           HA       ARG  25   7.224   6.259  -5.986
  195   1HB   ARG  25           HBR      ARG  25   9.429   7.378  -7.043
  196   2HB   ARG  25           HBS      ARG  25   8.695   6.729  -8.537
  197   1HG   ARG  25           HGS      ARG  25   6.652   7.989  -8.107
  198   2HG   ARG  25           HGR      ARG  25   7.326   8.594  -6.568
  199   1HD   ARG  25           HDS      ARG  25   7.435  10.150  -8.551
  200   2HD   ARG  25           HDR      ARG  25   8.958   9.868  -7.661
  201    HE   ARG  25           HE       ARG  25   8.641   8.070  -9.897
  202   1HH1  ARG  25           HH1      ARG  25   9.881  11.190  -8.818
  203   2HH1  ARG  25           HH1      ARG  25  10.832  11.429 -10.245
  204   1HH2  ARG  25           HH2      ARG  25   9.796   8.477 -11.805
  205   2HH2  ARG  25           HH2      ARG  25  10.787   9.892 -11.936
  206    HA   PRO  26           HA       PRO  26   6.720   3.566  -9.996
  207   1HB   PRO  26           HBS      PRO  26   8.710   1.610  -9.806
  208   2HB   PRO  26           HBR      PRO  26   8.321   2.529 -11.109
  209   1HG   PRO  26           HGS      PRO  26  10.520   2.790  -9.652
  210   2HG   PRO  26           HGR      PRO  26   9.928   3.968 -10.675
  211   1HD   PRO  26           HDS      PRO  26   9.876   3.905  -7.871
  212   2HD   PRO  26           HDR      PRO  26   9.657   5.201  -8.873
  213    H    CYS  27           HN       CYS  27   7.622   2.410  -6.947
  214    HA   CYS  27           HA       CYS  27   6.366  -0.155  -7.285
  215   1HB   CYS  27           HBS      CYS  27   7.869   1.270  -5.148
  216   2HB   CYS  27           HBR      CYS  27   6.783  -0.059  -4.649
  217    H    LEU  28           HN       LEU  28   5.536   2.851  -5.580
  218    HA   LEU  28           HA       LEU  28   3.383   1.770  -4.040
  219   1HB   LEU  28           HBR      LEU  28   4.830   3.914  -3.809
  220   2HB   LEU  28           HBS      LEU  28   3.627   4.640  -4.912
  221    HG   LEU  28           HG       LEU  28   1.877   3.880  -3.194
  222   1HD1  LEU  28           HMD      LEU  28   4.322   2.975  -1.935
  223   2HD1  LEU  28           HMD      LEU  28   3.493   4.177  -0.914
  224   3HD1  LEU  28           HMD      LEU  28   2.629   2.713  -1.449
  225   1HD2  LEU  28           HMD      LEU  28   3.644   6.145  -3.395
  226   2HD2  LEU  28           HMD      LEU  28   1.928   6.089  -2.915
  227   3HD2  LEU  28           HMD      LEU  28   3.204   5.874  -1.689
  228    H    LYS  29           HN       LYS  29   2.110   0.532  -5.385
  229    HA   LYS  29           HA       LYS  29   0.633   1.964  -7.547
  230   1HB   LYS  29           HBS      LYS  29   1.980  -0.755  -7.649
  231   2HB   LYS  29           HBR      LYS  29   0.870  -0.110  -8.891
  232   1HG   LYS  29           HGS      LYS  29   2.443   1.769  -9.285
  233   2HG   LYS  29           HGR      LYS  29   3.563   1.061  -8.087
  234   1HD   LYS  29           HDS      LYS  29   2.593  -0.420 -10.538
  235   2HD   LYS  29           HDR      LYS  29   3.945   0.678 -10.594
  236   1HE   LYS  29           HER      LYS  29   5.340  -0.757  -9.677
  237   2HE   LYS  29           HES      LYS  29   4.185  -1.204  -8.390
  238   1HZ   LYS  29           HZC      LYS  29   3.895  -2.184 -11.133
  239   2HZ   LYS  29           HZA      LYS  29   4.826  -2.965 -10.042
  240   3HZ   LYS  29           HZB      LYS  29   3.226  -2.778  -9.768
  241    H    CYS  30           HN       CYS  30  -1.465   1.745  -7.424
  242    HA   CYS  30           HA       CYS  30  -2.905  -0.090  -5.773
  243   1HB   CYS  30           HBS      CYS  30  -3.660   2.107  -6.943
  244   2HB   CYS  30           HBR      CYS  30  -4.032   1.019  -8.313
  245    H    GLU  31           HN       GLU  31  -3.226  -2.153  -5.967
  246    HA   GLU  31           HA       GLU  31  -2.906  -3.499  -8.605
  247   1HB   GLU  31           HBR      GLU  31  -2.103  -4.142  -6.066
  248   2HB   GLU  31           HBS      GLU  31  -3.619  -4.862  -6.103
  249   1HG   GLU  31           HGR      GLU  31  -2.405  -6.704  -6.891
  250   2HG   GLU  31           HGS      GLU  31  -2.952  -5.888  -8.381
  251    H    LYS  32           HN       LYS  32  -5.111  -1.628  -7.684
  252    HA   LYS  32           HA       LYS  32  -7.377  -3.497  -8.179
  253   1HB   LYS  32           HBS      LYS  32  -6.953  -1.902  -6.002
  254   2HB   LYS  32           HBR      LYS  32  -7.926  -0.825  -7.044
  255   1HG   LYS  32           HGR      LYS  32  -8.887  -3.638  -6.704
  256   2HG   LYS  32           HGS      LYS  32  -9.021  -2.548  -5.293
  257   1HD   LYS  32           HDR      LYS  32 -11.042  -2.330  -6.333
  258   2HD   LYS  32           HDS      LYS  32 -10.165  -0.896  -6.797
  259   1HE   LYS  32           HER      LYS  32 -11.539  -2.144  -8.559
  260   2HE   LYS  32           HES      LYS  32  -9.887  -1.630  -9.001
  261   1HZ   LYS  32           HZB      LYS  32 -10.652  -4.321  -8.095
  262   2HZ   LYS  32           HZC      LYS  32 -10.329  -3.896  -9.637
  263   3HZ   LYS  32           HZA      LYS  32  -9.145  -3.850  -8.513
  264    H    CYS  33           HN       CYS  33  -6.240  -0.142  -8.701
  265    HA   CYS  33           HA       CYS  33  -7.750  -0.204 -11.263
  266   1HB   CYS  33           HBS      CYS  33  -7.978   2.163 -11.135
  267   2HB   CYS  33           HBR      CYS  33  -8.588   1.384  -9.651
  268    H    GLY  34           HN       GLY  34  -4.633  -0.235  -9.953
  269   1HA   GLY  34           HAR      GLY  34  -2.574  -0.358 -11.006
  270   2HA   GLY  34           HAS      GLY  34  -3.399  -0.286 -12.585
  271    H    LYS  35           HN       LYS  35  -3.676   1.990  -9.862
  272    HA   LYS  35           HA       LYS  35  -2.642   4.173 -11.605
  273   1HB   LYS  35           HBS      LYS  35  -4.864   4.476 -10.442
  274   2HB   LYS  35           HBR      LYS  35  -3.972   4.433  -8.895
  275   1HG   LYS  35           HGS      LYS  35  -2.574   6.366  -9.815
  276   2HG   LYS  35           HGR      LYS  35  -3.791   6.493 -11.117
  277   1HD   LYS  35           HDS      LYS  35  -5.467   7.135  -9.623
  278   2HD   LYS  35           HDR      LYS  35  -4.635   6.460  -8.249
  279   1HE   LYS  35           HER      LYS  35  -3.114   8.572  -9.550
  280   2HE   LYS  35           HES      LYS  35  -4.695   9.112  -8.919
  281   1HZ   LYS  35           HZB      LYS  35  -2.864   7.519  -7.285
  282   2HZ   LYS  35           HZC      LYS  35  -2.724   9.145  -7.368
  283   3HZ   LYS  35           HZA      LYS  35  -4.098   8.471  -6.799
  284    H    THR  36           HN       THR  36  -0.613   4.706 -11.361
  285    HA   THR  36           HA       THR  36   1.078   3.993  -9.134
  286    HB   THR  36           HB       THR  36   1.379   6.129 -11.322
  287    HG1  THR  36           HG1      THR  36   2.324   4.836 -12.278
  288   1HG2  THR  36           HMG      THR  36   3.245   5.307  -9.113
  289   2HG2  THR  36           HMG      THR  36   3.877   5.864 -10.684
  290   3HG2  THR  36           HMG      THR  36   2.839   6.937  -9.708
  291    H    LEU  37           HN       LEU  37   1.561   5.091  -7.331
  292    HA   LEU  37           HA       LEU  37  -0.567   6.983  -6.552
  293   1HB   LEU  37           HBR      LEU  37   1.276   5.233  -4.897
  294   2HB   LEU  37           HBS      LEU  37  -0.141   6.151  -4.313
  295    HG   LEU  37           HG       LEU  37  -0.359   3.934  -6.354
  296   1HD1  LEU  37           HMD      LEU  37   0.006   3.824  -3.412
  297   2HD1  LEU  37           HMD      LEU  37  -1.337   2.857  -4.072
  298   3HD1  LEU  37           HMD      LEU  37   0.324   2.593  -4.661
  299   1HD2  LEU  37           HMD      LEU  37  -2.111   5.841  -5.020
  300   2HD2  LEU  37           HMD      LEU  37  -2.431   4.773  -6.411
  301   3HD2  LEU  37           HMD      LEU  37  -2.631   4.159  -4.750
  302    H    THR  38           HN       THR  38  -0.179   9.021  -6.207
  303    HA   THR  38           HA       THR  38   2.570  10.024  -5.791
  304    HB   THR  38           HB       THR  38   0.903  11.245  -7.316
  305    HG1  THR  38           HG1      THR  38   1.778  12.835  -6.920
  306   1HG2  THR  38           HMG      THR  38  -0.876  11.082  -5.238
  307   2HG2  THR  38           HMG      THR  38  -0.234  12.733  -5.052
  308   3HG2  THR  38           HMG      THR  38  -0.975  12.234  -6.593
  309    H    SER  39           HN       SER  39   2.135  12.097  -4.110
  310    HA   SER  39           HA       SER  39   2.494  10.719  -1.592
  311   1HB   SER  39           HBR      SER  39   3.043  12.786  -0.677
  312   2HB   SER  39           HBS      SER  39   3.631  12.871  -2.363
  313    HG   SER  39           HG       SER  39   2.352  14.696  -1.219
  314    H    GLY  40           HN       GLY  40  -0.188  11.898  -3.353
  315   1HA   GLY  40           HAR      GLY  40  -2.038  12.511  -1.378
  316   2HA   GLY  40           HAS      GLY  40  -2.447  11.750  -2.938
  317    H    GLY  41           HN       GLY  41  -4.154  10.832  -1.528
  318   1HA   GLY  41           HAR      GLY  41  -3.354   9.330   0.802
  319   2HA   GLY  41           HAS      GLY  41  -5.020   9.642   0.244
  320    H    HIS  42           HN       HIS  42  -2.112   7.783  -0.773
  321    HA   HIS  42           HA       HIS  42  -3.818   5.468  -1.339
  322   1HB   HIS  42           HBS      HIS  42  -1.836   4.364  -2.151
  323   2HB   HIS  42           HBR      HIS  42  -1.885   6.025  -2.815
  324    HD1  HIS  42           HD1      HIS  42   0.260   3.735  -0.795
  325    HD2  HIS  42           HD2      HIS  42  -0.144   7.844  -1.348
  326    HE1  HIS  42           HE1      HIS  42   2.273   4.791   0.258
  327    HE2  HIS  42           HE2      HIS  42   2.036   7.278  -0.074
  328    H    ALA  43           HN       ALA  43  -2.263   3.368  -0.639
  329    HA   ALA  43           HA       ALA  43  -1.860   3.366   2.285
  330   1HB   ALA  43           HMB      ALA  43  -4.401   2.908   1.069
  331   2HB   ALA  43           HMB      ALA  43  -3.786   1.359   1.698
  332   3HB   ALA  43           HMB      ALA  43  -3.930   2.766   2.781
  333    H    GLU  44           HN       GLU  44  -2.106   0.715   2.745
  334    HA   GLU  44           HA       GLU  44  -1.462  -1.017   0.594
  335   1HB   GLU  44           HBR      GLU  44   0.801  -1.599   1.133
  336   2HB   GLU  44           HBS      GLU  44   0.638   0.007   0.674
  337   1HG   GLU  44           HGS      GLU  44   1.948   0.511   2.388
  338   2HG   GLU  44           HGR      GLU  44   0.450   0.452   3.358
  339    H    HIS  45           HN       HIS  45  -1.432  -3.195   1.235
  340    HA   HIS  45           HA       HIS  45  -1.891  -3.757   4.118
  341   1HB   HIS  45           HBS      HIS  45  -2.441  -6.060   3.515
  342   2HB   HIS  45           HBR      HIS  45  -3.515  -4.926   2.645
  343    HD1  HIS  45           HD1      HIS  45  -0.124  -6.605   1.829
  344    HD2  HIS  45           HD2      HIS  45  -3.891  -5.899   0.199
  345    HE1  HIS  45           HE1      HIS  45  -0.179  -7.804  -0.372
  346    HE2  HIS  45           HE2      HIS  45  -2.471  -7.412  -1.345
  347    H    GLU  46           HN       GLU  46  -0.746  -6.195   4.325
  348    HA   GLU  46           HA       GLU  46   1.946  -5.615   4.704
  349   1HB   GLU  46           HBR      GLU  46   0.255  -8.071   4.579
  350   2HB   GLU  46           HBS      GLU  46   1.917  -8.277   4.475
  351   1HG   GLU  46           HGR      GLU  46   2.201  -8.128   6.724
  352   2HG   GLU  46           HGS      GLU  46   1.627  -6.445   6.567
  353    H    GLY  47           HN       GLY  47   2.981  -4.781   2.945
  354   1HA   GLY  47           HAR      GLY  47   4.317  -4.827   1.069
  355   2HA   GLY  47           HAS      GLY  47   4.186  -6.606   1.122
  356    H    LYS  48           HN       LYS  48   1.705  -4.058   0.678
  357    HA   LYS  48           HA       LYS  48   1.871  -3.982  -2.149
  358   1HB   LYS  48           HBS      LYS  48   0.603  -6.301  -1.427
  359   2HB   LYS  48           HBR      LYS  48  -0.767  -5.159  -1.544
  360   1HG   LYS  48           HGR      LYS  48  -0.140  -4.607  -3.844
  361   2HG   LYS  48           HGS      LYS  48   1.284  -5.680  -3.732
  362   1HD   LYS  48           HDR      LYS  48  -1.618  -6.456  -3.671
  363   2HD   LYS  48           HDS      LYS  48  -0.483  -6.762  -4.955
  364   1HE   LYS  48           HER      LYS  48  -0.509  -7.933  -2.179
  365   2HE   LYS  48           HES      LYS  48  -0.802  -8.786  -3.721
  366   1HZ   LYS  48           HZC      LYS  48   1.512  -8.160  -4.293
  367   2HZ   LYS  48           HZA      LYS  48   1.730  -7.664  -2.753
  368   3HZ   LYS  48           HZB      LYS  48   1.386  -9.229  -3.065
  369    HA   PRO  49           HA       PRO  49  -0.396  -0.430  -0.732
  370   1HB   PRO  49           HBR      PRO  49   0.534   1.138  -2.680
  371   2HB   PRO  49           HBS      PRO  49   1.207   1.014  -1.187
  372   1HG   PRO  49           HGS      PRO  49   2.146  -0.024  -3.603
  373   2HG   PRO  49           HGR      PRO  49   2.999   0.277  -2.201
  374   1HD   PRO  49           HDS      PRO  49   2.211  -2.152  -3.061
  375   2HD   PRO  49           HDR      PRO  49   2.785  -1.805  -1.550
  376    H    TYR  50           HN       TYR  50  -2.239   0.604  -1.283
  377    HA   TYR  50           HA       TYR  50  -2.971   0.553  -4.097
  378   1HB   TYR  50           HBR      TYR  50  -5.106  -0.275  -2.116
  379   2HB   TYR  50           HBS      TYR  50  -5.156  -0.316  -3.901
  380    HD1  TYR  50           HD1      TYR  50  -3.137  -1.824  -1.095
  381    HD2  TYR  50           HD2      TYR  50  -5.110  -2.417  -4.816
  382    HE1  TYR  50           HE1      TYR  50  -2.703  -4.238  -0.935
  383    HE2  TYR  50           HE2      TYR  50  -4.698  -4.830  -4.660
  384    HH   TYR  50           HH       TYR  50  -4.234  -6.381  -1.917
  385    H    CYS  51           HN       CYS  51  -5.087   1.920  -4.308
  386    HA   CYS  51           HA       CYS  51  -5.110   4.368  -3.032
  387   1HB   CYS  51           HBS      CYS  51  -7.529   2.787  -3.945
  388   2HB   CYS  51           HBR      CYS  51  -7.515   4.523  -3.530
  389    H    ASN  52           HN       ASN  52  -5.682   5.210  -1.170
  390    HA   ASN  52           HA       ASN  52  -6.729   3.631   1.016
  391   1HB   ASN  52           HBS      ASN  52  -5.324   5.891   0.982
  392   2HB   ASN  52           HBR      ASN  52  -6.967   6.583   1.084
  393   1HD2  ASN  52           HD2      ASN  52  -5.954   6.292   4.549
  394   2HD2  ASN  52           HD2      ASN  52  -5.941   7.351   3.178
  395    H    HIS  53           HN       HIS  53  -8.033   5.728  -1.495
  396    HA   HIS  53           HA       HIS  53 -10.469   4.138  -1.350
  397   1HB   HIS  53           HBS      HIS  53 -10.559   7.153  -0.977
  398   2HB   HIS  53           HBR      HIS  53 -11.897   6.253  -1.747
  399    HD1  HIS  53           HD1      HIS  53 -13.688   5.581  -0.100
  400    HD2  HIS  53           HD2      HIS  53  -9.962   6.042   1.703
  401    HE1  HIS  53           HE1      HIS  53 -14.063   5.354   2.368
  402    HE2  HIS  53           HE2      HIS  53 -11.814   5.645   3.465
  403    HA   PRO  54           HA       PRO  54 -12.399   4.412  -2.252
  404   1HB   PRO  54           HBS      PRO  54 -13.651   3.135  -4.197
  405   2HB   PRO  54           HBR      PRO  54 -13.989   4.694  -3.795
  406   1HG   PRO  54           HGR      PRO  54 -12.825   3.753  -6.111
  407   2HG   PRO  54           HGS      PRO  54 -13.264   5.321  -5.747
  408   1HD   PRO  54           HDR      PRO  54 -10.722   4.141  -5.608
  409   2HD   PRO  54           HDS      PRO  54 -11.102   5.752  -5.629
  410    H    CYS  55           HN       CYS  55 -10.116   2.943  -4.194
  411    HA   CYS  55           HA       CYS  55 -11.117   0.472  -4.494
  412   1HB   CYS  55           HBS      CYS  55  -8.174   1.130  -4.218
  413   2HB   CYS  55           HBR      CYS  55  -8.863  -0.327  -4.987
  414    H    TYR  56           HN       TYR  56  -8.905   1.381  -1.834
  415    HA   TYR  56           HA       TYR  56  -8.927  -1.154  -0.516
  416   1HB   TYR  56           HBR      TYR  56  -7.262   0.591  -0.040
  417   2HB   TYR  56           HBS      TYR  56  -8.542   1.630   0.648
  418    HD1  TYR  56           HD2      TYR  56  -7.357  -1.909   1.059
  419    HD2  TYR  56           HD1      TYR  56  -8.569   1.684   2.983
  420    HE1  TYR  56           HE2      TYR  56  -6.899  -2.933   3.241
  421    HE2  TYR  56           HE1      TYR  56  -8.144   0.660   5.175
  422    HH   TYR  56           HH       TYR  56  -7.635  -2.754   5.478
  423    H    SER  57           HN       SER  57 -10.830   1.837   0.003
  424    HA   SER  57           HA       SER  57 -12.304   0.823   2.216
  425   1HB   SER  57           HBS      SER  57 -12.160   3.167   1.945
  426   2HB   SER  57           HBR      SER  57 -12.847   3.101   0.296
  427    HG   SER  57           HG       SER  57 -14.085   2.310   2.813
  428    H    ALA  58           HN       ALA  58 -12.493   0.217  -1.145
  429    HA   ALA  58           HA       ALA  58 -15.367  -0.228  -1.187
  430   1HB   ALA  58           HMB      ALA  58 -14.217   0.830  -3.058
  431   2HB   ALA  58           HMB      ALA  58 -13.228  -0.633  -3.298
  432   3HB   ALA  58           HMB      ALA  58 -14.989  -0.696  -3.561
  433    H    MET  59           HN       MET  59 -12.413  -2.203  -1.530
  434    HA   MET  59           HA       MET  59 -14.101  -4.653  -1.598
  435   1HB   MET  59           HBS      MET  59 -11.887  -3.879  -3.181
  436   2HB   MET  59           HBR      MET  59 -11.318  -5.180  -2.105
  437   1HG   MET  59           HGR      MET  59 -13.946  -5.393  -3.612
  438   2HG   MET  59           HGS      MET  59 -12.414  -5.836  -4.397
  439   1HE   MET  59           HME      MET  59 -10.570  -7.182  -2.793
  440   2HE   MET  59           HME      MET  59 -11.097  -8.851  -2.448
  441   3HE   MET  59           HME      MET  59 -11.295  -8.175  -4.085
  442    H    PHE  60           HN       PHE  60 -11.366  -3.005  -0.064
  443    HA   PHE  60           HA       PHE  60 -11.543  -4.855   2.248
  444   1HB   PHE  60           HBR      PHE  60  -9.704  -2.444   1.954
  445   2HB   PHE  60           HBS      PHE  60  -9.661  -3.710   3.215
  446    HD1  PHE  60           HD1      PHE  60  -9.199  -2.990  -0.340
  447    HD2  PHE  60           HD2      PHE  60  -8.523  -5.850   2.747
  448    HE1  PHE  60           HE1      PHE  60  -7.673  -4.206  -1.829
  449    HE2  PHE  60           HE2      PHE  60  -6.985  -7.096   1.264
  450    HZ   PHE  60           HZ       PHE  60  -6.519  -6.226  -1.010
  451    H    GLY  61           HN       GLY  61 -10.966  -3.002   4.238
  452   1HA   GLY  61           HAR      GLY  61 -12.556  -0.817   4.597
  453   2HA   GLY  61           HAS      GLY  61 -13.705  -2.163   4.832
  454    HA   PRO  62           HA       PRO  62 -12.222  -3.312   8.780
  455   1HB   PRO  62           HBS      PRO  62 -10.743  -5.598   8.168
  456   2HB   PRO  62           HBR      PRO  62 -12.158  -5.507   8.996
  457   1HG   PRO  62           HGS      PRO  62 -11.872  -6.495   6.549
  458   2HG   PRO  62           HGR      PRO  62 -13.330  -6.022   7.208
  459   1HD   PRO  62           HDS      PRO  62 -11.793  -4.719   5.254
  460   2HD   PRO  62           HDR      PRO  62 -13.390  -4.501   5.620
  461    H    LYS  63           HN       LYS  63 -11.022  -1.982   9.829
  462    HA   LYS  63           HA       LYS  63  -8.101  -2.092   9.512
  463   1HB   LYS  63           HBS      LYS  63  -9.129  -0.664   7.618
  464   2HB   LYS  63           HBR      LYS  63  -9.511   0.507   8.912
  465   1HG   LYS  63           HGR      LYS  63  -7.379   1.006   7.711
  466   2HG   LYS  63           HGS      LYS  63  -7.164   0.743   9.466
  467   1HD   LYS  63           HDS      LYS  63  -6.878  -1.683   7.844
  468   2HD   LYS  63           HDR      LYS  63  -5.738  -0.430   7.438
  469   1HE   LYS  63           HES      LYS  63  -6.116  -1.006  10.326
  470   2HE   LYS  63           HER      LYS  63  -5.258  -2.208   9.321
  471   1HZ   LYS  63           HZB      LYS  63  -4.235   0.222   8.630
  472   2HZ   LYS  63           HZC      LYS  63  -4.350   0.280  10.259
  473   3HZ   LYS  63           HZA      LYS  63  -3.508  -0.922   9.544
  474    H    GLY  64           HN       GLY  64  -7.282  -1.808  11.437
  475   1HA   GLY  64           HAR      GLY  64  -8.642  -0.711  13.729
  476   2HA   GLY  64           HAS      GLY  64  -6.893  -1.025  13.572
  477    H    PHE  65           HN       PHE  65  -6.571   0.557  11.155
  478    HA   PHE  65           HA       PHE  65  -6.303   2.674  10.361
  479   1HB   PHE  65           HBR      PHE  65  -8.777   2.981  12.040
  480   2HB   PHE  65           HBS      PHE  65  -7.938   4.458  11.479
  481    HD1  PHE  65           HD2      PHE  65  -7.108   3.929   8.758
  482    HD2  PHE  65           HD1      PHE  65 -10.542   2.477  10.820
  483    HE1  PHE  65           HE2      PHE  65  -8.295   3.693   6.600
  484    HE2  PHE  65           HE1      PHE  65 -11.744   2.238   8.694
  485    HZ   PHE  65           HZ       PHE  65 -10.645   2.901   6.589
  486    H    GLY  66           HN       GLY  66  -7.331   3.607  13.636
  487   1HA   GLY  66           HAS      GLY  66  -4.771   5.117  13.872
  488   2HA   GLY  66           HAR      GLY  66  -6.349   5.629  14.528
  489    H    ARG  67           HN       ARG  67  -4.442   5.758  16.290
  490    HA   ARG  67           HA       ARG  67  -4.557   3.259  17.913
  491   1HB   ARG  67           HBS      ARG  67  -2.361   3.875  16.585
  492   2HB   ARG  67           HBR      ARG  67  -2.133   5.023  17.935
  493   1HG   ARG  67           HGS      ARG  67  -2.768   2.663  19.228
  494   2HG   ARG  67           HGR      ARG  67  -1.787   2.110  17.842
  495   1HD   ARG  67           HDS      ARG  67  -0.927   4.410  19.571
  496   2HD   ARG  67           HDR      ARG  67  -0.603   2.715  20.031
  497    HE   ARG  67           HE       ARG  67   0.916   2.534  18.252
  498   1HH1  ARG  67           HH1      ARG  67  -0.491   5.761  18.461
  499   2HH1  ARG  67           HH1      ARG  67   0.558   6.415  17.247
  500   1HH2  ARG  67           HH2      ARG  67   2.182   3.393  16.580
  501   2HH2  ARG  67           HH2      ARG  67   2.072   5.075  16.184
  502    H    GLY  68           HN       GLY  68  -6.239   4.206  19.124
  503   1HA   GLY  68           HAS      GLY  68  -5.820   5.531  21.495
  504   2HA   GLY  68           HAR      GLY  68  -5.893   6.848  20.295
  505    H    GLY  69           HN       GLY  69  -7.701   5.438  22.503
  506   1HA   GLY  69           HAR      GLY  69 -10.235   6.167  21.167
  507   2HA   GLY  69           HAS      GLY  69 -10.035   4.470  21.676
  508    H    ALA  70           HN       ALA  70 -12.043   6.075  22.699
  509    HA   ALA  70           HA       ALA  70 -13.073   6.496  24.698
  510   1HB   ALA  70           HMB      ALA  70 -12.099   4.172  24.977
  511   2HB   ALA  70           HMB      ALA  70 -10.798   4.932  25.927
  512   3HB   ALA  70           HMB      ALA  70 -12.491   5.060  26.470
  513    H    GLU  71           HN       GLU  71 -12.057   6.787  27.283
  514    HA   GLU  71           HA       GLU  71 -10.181   9.104  27.064
  515   1HB   GLU  71           HBS      GLU  71 -12.572   9.466  27.743
  516   2HB   GLU  71           HBR      GLU  71 -12.308   8.590  29.152
  517   1HG   GLU  71           HGR      GLU  71 -11.641  10.647  30.107
  518   2HG   GLU  71           HGS      GLU  71 -10.189  10.422  29.094
  519    H    SER  72           HN       SER  72  -8.265   8.337  27.591
  520    HA   SER  72           HA       SER  72  -7.684   7.811  30.264
  521   1HB   SER  72           HBR      SER  72  -6.718   5.425  29.894
  522   2HB   SER  72           HBS      SER  72  -8.446   5.649  30.294
  523    HG   SER  72           HG       SER  72  -7.300   5.449  27.632
  524    H    HIS  73           HN       HIS  73  -5.381   7.252  30.602
  525    HA   HIS  73           HA       HIS  73  -3.152   7.322  30.139
  526   1HB   HIS  73           HBR      HIS  73  -3.792   5.725  28.268
  527   2HB   HIS  73           HBS      HIS  73  -3.841   7.141  27.180
  528    HD1  HIS  73           HD1      HIS  73  -1.239   5.999  29.808
  529    HD2  HIS  73           HD2      HIS  73  -1.533   7.205  25.832
  530    HE1  HIS  73           HE1      HIS  73   1.107   6.172  28.947
  531    HE2  HIS  73           HE2      HIS  73   0.938   6.923  26.547
  532    H    THR  74           HN       THR  74  -4.614   8.994  27.325
  533    HA   THR  74           HA       THR  74  -2.501  10.796  27.041
  534    HB   THR  74           HB       THR  74  -4.384  12.206  25.766
  535    HG1  THR  74           HG1      THR  74  -6.019  11.342  25.473
  536   1HG2  THR  74           HMG      THR  74  -2.639  10.273  24.934
  537   2HG2  THR  74           HMG      THR  74  -4.205   9.600  24.416
  538   3HG2  THR  74           HMG      THR  74  -3.707  11.222  23.869
  539    H    PHE  75           HN       PHE  75  -5.715  12.143  27.614
  540    HA   PHE  75           HA       PHE  75  -4.407  14.166  29.337
  541   1HB   PHE  75           HBR      PHE  75  -6.791  14.295  27.468
  542   2HB   PHE  75           HBS      PHE  75  -6.551  15.505  28.763
  543    HD1  PHE  75           HD1      PHE  75  -4.402  16.706  28.878
  544    HD2  PHE  75           HD2      PHE  75  -5.520  14.515  25.399
  545    HE1  PHE  75           HE1      PHE  75  -2.827  18.043  27.556
  546    HE2  PHE  75           HE2      PHE  75  -3.937  15.847  24.044
  547    HZ   PHE  75           HZ       PHE  75  -2.637  17.657  25.127
  548    H    LYS  76           HN       LYS  76  -4.834  14.233  31.393
  549    HA   LYS  76           HA       LYS  76  -7.492  14.255  32.383
  550   1HB   LYS  76           HBR      LYS  76  -6.794  11.681  32.145
  551   2HB   LYS  76           HBS      LYS  76  -6.027  12.029  33.720
  552   1HG   LYS  76           HGR      LYS  76  -8.671  13.127  33.760
  553   2HG   LYS  76           HGS      LYS  76  -8.775  11.452  33.148
  554   1HD   LYS  76           HDS      LYS  76  -8.700  10.739  35.218
  555   2HD   LYS  76           HDR      LYS  76  -7.027  11.225  35.238
  556   1HE   LYS  76           HES      LYS  76  -7.884  13.554  35.924
  557   2HE   LYS  76           HER      LYS  76  -9.403  12.691  36.299
  558   1HZ   LYS  76           HZC      LYS  76  -6.910  11.628  37.334
  559   2HZ   LYS  76           HZA      LYS  76  -7.541  12.949  38.058
  560   3HZ   LYS  76           HZB      LYS  76  -8.411  11.570  37.973
   
  No H/Q in entry =         560
  Start of MODEL   15
    1    H    PRO   1           HN       PRO   1  13.536   2.374   5.958
    2    HA   PRO   1           HA       PRO   1  13.177   3.822   4.071
    3   1HB   PRO   1           HBR      PRO   1  15.759   4.114   3.214
    4   2HB   PRO   1           HBS      PRO   1  14.743   5.312   3.692
    5   1HG   PRO   1           HGR      PRO   1  16.949   4.486   5.008
    6   2HG   PRO   1           HGS      PRO   1  15.808   5.575   5.550
    7   1HD   PRO   1           HDS      PRO   1  16.144   2.886   6.286
    8   2HD   PRO   1           HDR      PRO   1  15.311   4.074   7.081
    9    H    LYS   2           HN       LYS   2  12.317   1.635   3.922
   10    HA   LYS   2           HA       LYS   2  13.815   0.110   1.861
   11   1HB   LYS   2           HBS      LYS   2  14.220  -0.607   4.374
   12   2HB   LYS   2           HBR      LYS   2  12.611  -1.360   4.182
   13   1HG   LYS   2           HGS      LYS   2  13.411  -2.708   2.327
   14   2HG   LYS   2           HGR      LYS   2  14.994  -1.878   2.361
   15   1HD   LYS   2           HDR      LYS   2  15.679  -2.992   4.214
   16   2HD   LYS   2           HDS      LYS   2  14.078  -3.173   4.874
   17   1HE   LYS   2           HES      LYS   2  13.931  -4.717   2.608
   18   2HE   LYS   2           HER      LYS   2  15.634  -4.914   3.110
   19   1HZ   LYS   2           HZA      LYS   2  14.134  -5.123   5.380
   20   2HZ   LYS   2           HZB      LYS   2  13.319  -5.998   4.267
   21   3HZ   LYS   2           HZC      LYS   2  14.884  -6.336   4.585
   22    H    CYS   3           HN       CYS   3  12.556  -0.805   0.396
   23    HA   CYS   3           HA       CYS   3   9.910   0.158   0.322
   24   1HB   CYS   3           HBS      CYS   3  11.561   0.036  -1.542
   25   2HB   CYS   3           HBR      CYS   3  11.276  -1.726  -1.606
   26    HA   PRO   4           HA       PRO   4   7.768  -3.459   1.804
   27   1HB   PRO   4           HBR      PRO   4   5.369  -2.209   1.407
   28   2HB   PRO   4           HBS      PRO   4   6.126  -2.442   2.845
   29   1HG   PRO   4           HGS      PRO   4   5.735  -0.081   1.658
   30   2HG   PRO   4           HGR      PRO   4   6.742  -0.356   2.961
   31   1HD   PRO   4           HDS      PRO   4   7.427  -0.043   0.233
   32   2HD   PRO   4           HDR      PRO   4   8.354   0.264   1.568
   33    H    LYS   5           HN       LYS   5   7.636  -1.954  -1.177
   34    HA   LYS   5           HA       LYS   5   5.676  -3.769  -2.311
   35   1HB   LYS   5           HBR      LYS   5   6.747  -1.239  -2.972
   36   2HB   LYS   5           HBS      LYS   5   7.193  -2.345  -4.303
   37   1HG   LYS   5           HGR      LYS   5   4.540  -2.985  -3.839
   38   2HG   LYS   5           HGS      LYS   5   4.575  -1.219  -3.568
   39   1HD   LYS   5           HDS      LYS   5   4.023  -1.680  -5.856
   40   2HD   LYS   5           HDR      LYS   5   5.541  -0.839  -5.712
   41   1HE   LYS   5           HER      LYS   5   6.811  -2.777  -6.168
   42   2HE   LYS   5           HES      LYS   5   5.367  -3.824  -6.062
   43   1HZ   LYS   5           HZC      LYS   5   5.763  -1.709  -8.065
   44   2HZ   LYS   5           HZA      LYS   5   6.011  -3.301  -8.332
   45   3HZ   LYS   5           HZB      LYS   5   4.509  -2.754  -7.995
   46    H    CYS   6           HN       CYS   6   9.073  -3.012  -3.205
   47    HA   CYS   6           HA       CYS   6   9.116  -5.576  -4.658
   48   1HB   CYS   6           HBS      CYS   6  11.067  -4.729  -5.808
   49   2HB   CYS   6           HBR      CYS   6   9.670  -3.627  -5.935
   50    H    ASP   7           HN       ASP   7  10.310  -4.158  -1.773
   51    HA   ASP   7           HA       ASP   7  11.752  -4.833  -0.164
   52   1HB   ASP   7           HBR      ASP   7  12.112  -7.443  -1.626
   53   2HB   ASP   7           HBS      ASP   7  12.414  -7.071   0.096
   54    H    LYS   8           HN       LYS   8  12.752  -3.031  -1.530
   55    HA   LYS   8           HA       LYS   8  15.586  -3.910  -1.626
   56   1HB   LYS   8           HBS      LYS   8  14.252  -1.862  -3.410
   57   2HB   LYS   8           HBR      LYS   8  16.004  -1.850  -3.070
   58   1HG   LYS   8           HGS      LYS   8  14.533  -4.236  -4.242
   59   2HG   LYS   8           HGR      LYS   8  15.326  -2.976  -5.230
   60   1HD   LYS   8           HDS      LYS   8  17.014  -4.123  -3.109
   61   2HD   LYS   8           HDR      LYS   8  16.418  -5.314  -4.233
   62   1HE   LYS   8           HES      LYS   8  18.210  -2.983  -4.755
   63   2HE   LYS   8           HER      LYS   8  18.390  -4.703  -5.202
   64   1HZ   LYS   8           HZA      LYS   8  16.172  -3.975  -6.492
   65   2HZ   LYS   8           HZB      LYS   8  17.050  -2.601  -6.587
   66   3HZ   LYS   8           HZC      LYS   8  17.664  -4.003  -7.155
   67    H    GLU   9           HN       GLU   9  16.837  -1.561  -1.501
   68    HA   GLU   9           HA       GLU   9  15.577  -0.037   0.742
   69   1HB   GLU   9           HBS      GLU   9  17.977   1.044   0.460
   70   2HB   GLU   9           HBR      GLU   9  17.583  -0.086   1.628
   71   1HG   GLU   9           HGS      GLU   9  18.509  -1.051  -1.071
   72   2HG   GLU   9           HGR      GLU   9  19.761  -0.317  -0.033
   73    H    VAL  10           HN       VAL  10  15.422   2.186   0.581
   74    HA   VAL  10           HA       VAL  10  14.943   2.909  -2.239
   75    HB   VAL  10           HB       VAL  10  13.529   3.508   0.356
   76   1HG1  VAL  10           HMG      VAL  10  13.613   5.522  -1.283
   77   2HG1  VAL  10           HMG      VAL  10  12.478   4.556  -2.257
   78   3HG1  VAL  10           HMG      VAL  10  12.055   5.014  -0.590
   79   1HG2  VAL  10           HMG      VAL  10  13.314   1.392  -1.329
   80   2HG2  VAL  10           HMG      VAL  10  12.033   1.975  -0.241
   81   3HG2  VAL  10           HMG      VAL  10  12.036   2.472  -1.949
   82    H    TYR  11           HN       TYR  11  16.027   4.434  -3.170
   83    HA   TYR  11           HA       TYR  11  17.987   6.017  -1.682
   84   1HB   TYR  11           HBR      TYR  11  17.438   5.334  -4.490
   85   2HB   TYR  11           HBS      TYR  11  17.885   7.046  -4.246
   86    HD1  TYR  11           HD1      TYR  11  19.984   7.239  -2.453
   87    HD2  TYR  11           HD2      TYR  11  19.202   3.980  -5.071
   88    HE1  TYR  11           HE1      TYR  11  22.343   6.563  -2.308
   89    HE2  TYR  11           HE2      TYR  11  21.547   3.277  -4.911
   90    HH   TYR  11           HH       TYR  11  23.450   4.121  -2.421
   91    H    PHE  12           HN       PHE  12  17.997   8.270  -1.574
   92    HA   PHE  12           HA       PHE  12  15.708   9.042  -0.340
   93   1HB   PHE  12           HBR      PHE  12  18.126  10.085  -0.222
   94   2HB   PHE  12           HBS      PHE  12  17.463  11.259  -1.394
   95    HD1  PHE  12           HD2      PHE  12  15.303  12.557  -0.666
   96    HD2  PHE  12           HD1      PHE  12  17.632  10.167   1.984
   97    HE1  PHE  12           HE2      PHE  12  14.267  13.701   1.268
   98    HE2  PHE  12           HE1      PHE  12  16.628  11.295   3.917
   99    HZ   PHE  12           HZ       PHE  12  14.991  13.104   3.561
  100    H    ALA  13           HN       ALA  13  16.854  10.962  -3.133
  101    HA   ALA  13           HA       ALA  13  14.446  12.093  -3.616
  102   1HB   ALA  13           HMB      ALA  13  17.021  12.093  -4.766
  103   2HB   ALA  13           HMB      ALA  13  15.888  11.831  -6.116
  104   3HB   ALA  13           HMB      ALA  13  15.707  13.259  -5.066
  105    H    GLU  14           HN       GLU  14  15.097   8.890  -4.227
  106    HA   GLU  14           HA       GLU  14  13.037   8.646  -6.324
  107   1HB   GLU  14           HBS      GLU  14  14.836   6.750  -4.877
  108   2HB   GLU  14           HBR      GLU  14  13.743   6.202  -6.027
  109   1HG   GLU  14           HGR      GLU  14  14.964   7.737  -7.762
  110   2HG   GLU  14           HGS      GLU  14  16.044   8.154  -6.404
  111    H    ARG  15           HN       ARG  15  12.617   9.358  -3.323
  112    HA   ARG  15           HA       ARG  15  11.404   6.877  -2.308
  113   1HB   ARG  15           HBR      ARG  15  11.533   7.818  -0.142
  114   2HB   ARG  15           HBS      ARG  15  13.078   8.172  -0.965
  115   1HG   ARG  15           HGR      ARG  15  12.089  10.484  -1.461
  116   2HG   ARG  15           HGS      ARG  15  10.830  10.068  -0.265
  117   1HD   ARG  15           HDS      ARG  15  13.767   9.837   0.335
  118   2HD   ARG  15           HDR      ARG  15  12.859  11.362   0.550
  119    HE   ARG  15           HE       ARG  15  12.465   8.851   2.074
  120   1HH1  ARG  15           HH1      ARG  15  11.437  12.165   1.442
  121   2HH1  ARG  15           HH1      ARG  15  10.776  12.377   3.028
  122   1HH2  ARG  15           HH2      ARG  15  11.704   9.211   4.178
  123   2HH2  ARG  15           HH2      ARG  15  10.929  10.707   4.578
  124    H    VAL  16           HN       VAL  16   9.381   6.799  -1.291
  125    HA   VAL  16           HA       VAL  16   7.906   9.259  -1.017
  126    HB   VAL  16           HB       VAL  16   5.811   8.552  -1.920
  127   1HG1  VAL  16           HMG      VAL  16   7.315   9.692  -3.468
  128   2HG1  VAL  16           HMG      VAL  16   7.973   8.125  -4.000
  129   3HG1  VAL  16           HMG      VAL  16   6.268   8.529  -4.316
  130   1HG2  VAL  16           HMG      VAL  16   7.164   5.976  -2.750
  131   2HG2  VAL  16           HMG      VAL  16   5.902   6.173  -1.511
  132   3HG2  VAL  16           HMG      VAL  16   5.527   6.488  -3.221
  133    H    THR  17           HN       THR  17   6.462   9.200   0.704
  134    HA   THR  17           HA       THR  17   7.131   6.975   2.570
  135    HB   THR  17           HB       THR  17   6.657   9.905   3.352
  136    HG1  THR  17           HG1      THR  17   8.157  10.009   2.274
  137   1HG2  THR  17           HMG      THR  17   7.915   7.598   4.863
  138   2HG2  THR  17           HMG      THR  17   7.822   9.287   5.425
  139   3HG2  THR  17           HMG      THR  17   6.329   8.344   5.190
  140    H    SER  18           HN       SER  18   5.591   6.105   3.802
  141    HA   SER  18           HA       SER  18   2.917   7.044   4.139
  142   1HB   SER  18           HBS      SER  18   2.987   6.722   1.645
  143   2HB   SER  18           HBR      SER  18   3.209   4.975   1.947
  144    HG   SER  18           HG       SER  18   0.991   6.604   1.951
  145    H    LEU  19           HN       LEU  19   1.940   5.879   5.638
  146    HA   LEU  19           HA       LEU  19   1.853   4.522   7.477
  147   1HB   LEU  19           HBR      LEU  19   2.882   2.509   5.452
  148   2HB   LEU  19           HBS      LEU  19   2.075   2.140   7.004
  149    HG   LEU  19           HG       LEU  19   0.486   1.776   5.298
  150   1HD1  LEU  19           HMD      LEU  19   0.053   3.567   7.324
  151   2HD1  LEU  19           HMD      LEU  19  -0.451   4.508   5.896
  152   3HD1  LEU  19           HMD      LEU  19  -1.204   2.928   6.235
  153   1HD2  LEU  19           HMD      LEU  19   1.944   3.375   3.761
  154   2HD2  LEU  19           HMD      LEU  19   0.223   3.063   3.418
  155   3HD2  LEU  19           HMD      LEU  19   0.710   4.568   4.240
  156    H    GLY  20           HN       GLY  20   4.324   6.035   6.881
  157   1HA   GLY  20           HAS      GLY  20   6.180   6.488   8.158
  158   2HA   GLY  20           HAR      GLY  20   5.610   5.213   9.268
  159    H    LYS  21           HN       LYS  21   6.046   4.243   5.996
  160    HA   LYS  21           HA       LYS  21   8.927   3.777   6.293
  161   1HB   LYS  21           HBS      LYS  21   7.357   1.556   5.034
  162   2HB   LYS  21           HBR      LYS  21   8.987   1.546   5.766
  163   1HG   LYS  21           HGS      LYS  21   6.854   2.136   7.702
  164   2HG   LYS  21           HGR      LYS  21   6.671   0.542   6.916
  165   1HD   LYS  21           HDS      LYS  21   9.329   0.561   7.512
  166   2HD   LYS  21           HDR      LYS  21   8.719   1.587   8.780
  167   1HE   LYS  21           HER      LYS  21   7.200  -0.094   9.545
  168   2HE   LYS  21           HES      LYS  21   7.652  -1.170   8.194
  169   1HZ   LYS  21           HZC      LYS  21   9.909  -1.139   9.093
  170   2HZ   LYS  21           HZA      LYS  21   9.400  -0.270  10.378
  171   3HZ   LYS  21           HZB      LYS  21   8.834  -1.783  10.140
  172    H    ASP  22           HN       ASP  22   9.993   3.663   4.293
  173    HA   ASP  22           HA       ASP  22   8.639   5.380   2.411
  174   1HB   ASP  22           HBS      ASP  22  11.490   4.467   2.190
  175   2HB   ASP  22           HBR      ASP  22  10.731   5.979   1.614
  176    H    TRP  23           HN       TRP  23   9.075   5.150   0.046
  177    HA   TRP  23           HA       TRP  23   9.165   2.327  -0.878
  178   1HB   TRP  23           HBR      TRP  23   7.195   4.454  -1.735
  179   2HB   TRP  23           HBS      TRP  23   7.211   2.725  -2.205
  180    HD1  TRP  23           HD1      TRP  23   6.489   5.022   0.817
  181    HE1  TRP  23           HE1      TRP  23   4.643   3.925   2.231
  182    HE3  TRP  23           HE3      TRP  23   6.102   0.641  -1.737
  183    HZ2  TRP  23           HZ2      TRP  23   3.130   1.563   2.149
  184    HZ3  TRP  23           HZ3      TRP  23   4.475  -1.026  -0.967
  185    HH2  TRP  23           HH2      TRP  23   2.931  -0.531   0.855
  186    H    HIS  24           HN       ZHI  24   9.332   2.216  -3.294
  187    HA   HIS  24           HA       ZHI  24  11.006   4.359  -4.407
  188   1HB   HIS  24           HBS      ZHI  24  10.083   1.773  -5.739
  189   2HB   HIS  24           HBR      ZHI  24  11.296   2.932  -6.362
  190    HD2  HIS  24           HD2      ZHI  24  13.276   3.313  -3.974
  191    HE1  HIS  24           HE1      ZHI  24  12.939  -0.707  -2.884
  192    HE2  HIS  24           HE2      ZHI  24  14.467   1.294  -2.877
  193    H    ARG  25           HN       ARG  25  10.482   5.691  -6.041
  194    HA   ARG  25           HA       ARG  25   7.885   6.693  -5.869
  195   1HB   ARG  25           HBR      ARG  25   9.889   8.022  -6.512
  196   2HB   ARG  25           HBS      ARG  25   9.871   7.218  -8.107
  197   1HG   ARG  25           HGS      ARG  25   8.761   9.119  -8.665
  198   2HG   ARG  25           HGR      ARG  25   7.365   8.155  -8.106
  199   1HD   ARG  25           HDS      ARG  25   7.382  10.442  -7.212
  200   2HD   ARG  25           HDR      ARG  25   7.459   9.188  -5.943
  201    HE   ARG  25           HE       ARG  25  10.087   9.806  -6.384
  202   1HH1  ARG  25           HH1      ARG  25   7.291  11.905  -5.940
  203   2HH1  ARG  25           HH1      ARG  25   8.171  13.060  -4.995
  204   1HH2  ARG  25           HH2      ARG  25  11.173  11.272  -5.039
  205   2HH2  ARG  25           HH2      ARG  25  10.369  12.704  -4.486
  206    HA   PRO  26           HA       PRO  26   7.130   4.612 -10.171
  207   1HB   PRO  26           HBR      PRO  26   8.778   2.534 -10.649
  208   2HB   PRO  26           HBS      PRO  26   8.825   3.982 -11.419
  209   1HG   PRO  26           HGS      PRO  26  10.561   3.002  -9.472
  210   2HG   PRO  26           HGR      PRO  26  10.819   4.236 -10.566
  211   1HD   PRO  26           HDS      PRO  26  10.335   4.578  -7.953
  212   2HD   PRO  26           HDR      PRO  26  10.214   5.759  -9.104
  213    H    CYS  27           HN       CYS  27   8.208   2.744  -7.510
  214    HA   CYS  27           HA       CYS  27   6.782   0.395  -8.074
  215   1HB   CYS  27           HBS      CYS  27   8.083   1.602  -5.695
  216   2HB   CYS  27           HBR      CYS  27   6.857   0.343  -5.379
  217    H    LEU  28           HN       LEU  28   5.815   3.325  -6.335
  218    HA   LEU  28           HA       LEU  28   3.639   2.160  -4.984
  219   1HB   LEU  28           HBS      LEU  28   5.042   4.284  -4.579
  220   2HB   LEU  28           HBR      LEU  28   3.879   5.087  -5.672
  221    HG   LEU  28           HG       LEU  28   2.064   4.269  -4.075
  222   1HD1  LEU  28           HMD      LEU  28   4.305   3.036  -2.865
  223   2HD1  LEU  28           HMD      LEU  28   3.800   4.355  -1.780
  224   3HD1  LEU  28           HMD      LEU  28   2.630   3.102  -2.265
  225   1HD2  LEU  28           HMD      LEU  28   3.661   6.536  -4.227
  226   2HD2  LEU  28           HMD      LEU  28   2.126   6.380  -3.333
  227   3HD2  LEU  28           HMD      LEU  28   3.676   6.123  -2.493
  228    H    LYS  29           HN       LYS  29   2.199   1.072  -6.193
  229    HA   LYS  29           HA       LYS  29   0.367   2.740  -7.845
  230   1HB   LYS  29           HBR      LYS  29   0.236   0.907  -9.478
  231   2HB   LYS  29           HBS      LYS  29   1.860   1.647  -9.401
  232   1HG   LYS  29           HGR      LYS  29   2.359  -0.335  -7.739
  233   2HG   LYS  29           HGS      LYS  29   0.954  -1.094  -8.540
  234   1HD   LYS  29           HDR      LYS  29   2.399  -0.159 -10.654
  235   2HD   LYS  29           HDS      LYS  29   3.672  -0.597  -9.548
  236   1HE   LYS  29           HER      LYS  29   3.301  -2.501 -10.836
  237   2HE   LYS  29           HES      LYS  29   2.452  -2.843  -9.303
  238   1HZ   LYS  29           HZC      LYS  29   0.958  -1.585 -11.441
  239   2HZ   LYS  29           HZA      LYS  29   1.306  -3.173 -11.596
  240   3HZ   LYS  29           HZB      LYS  29   0.458  -2.645 -10.304
  241    H    CYS  30           HN       CYS  30  -1.727   1.862  -8.096
  242    HA   CYS  30           HA       CYS  30  -2.744   0.296  -5.886
  243   1HB   CYS  30           HBS      CYS  30  -3.965   2.109  -7.196
  244   2HB   CYS  30           HBR      CYS  30  -4.206   0.860  -8.452
  245    H    GLU  31           HN       GLU  31  -2.632  -1.792  -5.677
  246    HA   GLU  31           HA       GLU  31  -2.432  -3.560  -8.018
  247   1HB   GLU  31           HBS      GLU  31  -2.097  -3.604  -5.122
  248   2HB   GLU  31           HBR      GLU  31  -2.739  -5.046  -5.691
  249   1HG   GLU  31           HGS      GLU  31  -0.171  -3.659  -6.534
  250   2HG   GLU  31           HGR      GLU  31  -0.211  -5.170  -5.586
  251    H    LYS  32           HN       LYS  32  -4.873  -1.925  -7.492
  252    HA   LYS  32           HA       LYS  32  -6.821  -4.184  -7.503
  253   1HB   LYS  32           HBR      LYS  32  -6.559  -2.100  -5.667
  254   2HB   LYS  32           HBS      LYS  32  -7.878  -1.572  -6.751
  255   1HG   LYS  32           HGR      LYS  32  -7.741  -4.172  -5.174
  256   2HG   LYS  32           HGS      LYS  32  -8.805  -2.773  -4.851
  257   1HD   LYS  32           HDS      LYS  32  -9.292  -3.452  -7.514
  258   2HD   LYS  32           HDR      LYS  32  -9.117  -4.982  -6.699
  259   1HE   LYS  32           HES      LYS  32 -11.170  -4.834  -5.917
  260   2HE   LYS  32           HER      LYS  32 -10.701  -3.362  -5.020
  261   1HZ   LYS  32           HZC      LYS  32 -11.157  -2.893  -7.782
  262   2HZ   LYS  32           HZA      LYS  32 -12.484  -3.477  -7.029
  263   3HZ   LYS  32           HZB      LYS  32 -11.765  -2.118  -6.479
  264    H    CYS  33           HN       CYS  33  -6.332  -0.776  -8.508
  265    HA   CYS  33           HA       CYS  33  -7.913  -1.429 -10.937
  266   1HB   CYS  33           HBS      CYS  33  -8.475   0.884 -11.121
  267   2HB   CYS  33           HBR      CYS  33  -8.905   0.240  -9.512
  268    H    GLY  34           HN       GLY  34  -4.769  -0.788  -9.847
  269   1HA   GLY  34           HAR      GLY  34  -2.782  -0.778 -11.004
  270   2HA   GLY  34           HAS      GLY  34  -3.730  -1.059 -12.488
  271    H    LYS  35           HN       LYS  35  -4.176   1.683 -10.300
  272    HA   LYS  35           HA       LYS  35  -3.076   3.508 -12.375
  273   1HB   LYS  35           HBR      LYS  35  -5.460   3.615 -11.018
  274   2HB   LYS  35           HBS      LYS  35  -4.420   4.687 -10.039
  275   1HG   LYS  35           HGR      LYS  35  -5.584   6.011 -11.702
  276   2HG   LYS  35           HGS      LYS  35  -3.845   5.955 -12.110
  277   1HD   LYS  35           HDS      LYS  35  -4.245   4.261 -13.784
  278   2HD   LYS  35           HDR      LYS  35  -5.925   4.162 -13.335
  279   1HE   LYS  35           HER      LYS  35  -6.468   5.754 -14.731
  280   2HE   LYS  35           HES      LYS  35  -5.342   6.889 -13.932
  281   1HZ   LYS  35           HZA      LYS  35  -4.480   4.917 -15.926
  282   2HZ   LYS  35           HZB      LYS  35  -4.918   6.440 -16.320
  283   3HZ   LYS  35           HZC      LYS  35  -3.632   6.186 -15.344
  284    H    THR  36           HN       THR  36  -1.479   4.925 -11.937
  285    HA   THR  36           HA       THR  36   0.407   4.264  -9.845
  286    HB   THR  36           HB       THR  36   0.366   6.812 -11.546
  287    HG1  THR  36           HG1      THR  36   0.158   5.480 -12.817
  288   1HG2  THR  36           HMG      THR  36   2.475   5.355  -9.983
  289   2HG2  THR  36           HMG      THR  36   2.923   6.322 -11.410
  290   3HG2  THR  36           HMG      THR  36   2.092   7.094 -10.036
  291    H    LEU  37           HN       LEU  37   1.010   5.551  -8.098
  292    HA   LEU  37           HA       LEU  37  -1.342   6.957  -6.954
  293   1HB   LEU  37           HBS      LEU  37   0.884   5.379  -5.629
  294   2HB   LEU  37           HBR      LEU  37  -0.565   6.058  -4.835
  295    HG   LEU  37           HG       LEU  37  -0.671   3.932  -6.982
  296   1HD1  LEU  37           HMD      LEU  37  -0.200   3.773  -4.044
  297   2HD1  LEU  37           HMD      LEU  37  -1.373   2.629  -4.745
  298   3HD1  LEU  37           HMD      LEU  37   0.302   2.671  -5.351
  299   1HD2  LEU  37           HMD      LEU  37  -2.565   5.577  -5.517
  300   2HD2  LEU  37           HMD      LEU  37  -2.832   4.486  -6.901
  301   3HD2  LEU  37           HMD      LEU  37  -2.861   3.843  -5.240
  302    H    THR  38           HN       THR  38  -1.052   8.709  -5.564
  303    HA   THR  38           HA       THR  38   1.117  10.434  -6.397
  304    HB   THR  38           HB       THR  38  -0.859  11.294  -4.271
  305    HG1  THR  38           HG1      THR  38  -2.151  10.455  -5.211
  306   1HG2  THR  38           HMG      THR  38   0.607  12.544  -6.534
  307   2HG2  THR  38           HMG      THR  38  -1.021  13.175  -6.173
  308   3HG2  THR  38           HMG      THR  38   0.236  13.174  -4.908
  309    H    SER  39           HN       SER  39   1.733  12.055  -4.424
  310    HA   SER  39           HA       SER  39   3.681  10.729  -2.988
  311   1HB   SER  39           HBS      SER  39   3.918  13.041  -3.322
  312   2HB   SER  39           HBR      SER  39   2.374  13.411  -2.500
  313    HG   SER  39           HG       SER  39   3.161  12.733  -0.535
  314    H    GLY  40           HN       GLY  40   0.474  11.782  -1.826
  315   1HA   GLY  40           HAR      GLY  40   0.516   9.565   0.155
  316   2HA   GLY  40           HAS      GLY  40   0.283  11.239   0.724
  317    H    GLY  41           HN       GLY  41  -0.915   9.274  -2.033
  318   1HA   GLY  41           HAR      GLY  41  -3.705   9.778  -1.078
  319   2HA   GLY  41           HAS      GLY  41  -3.264   9.831  -2.803
  320    H    HIS  42           HN       HIS  42  -1.350   7.489  -1.409
  321    HA   HIS  42           HA       HIS  42  -3.260   5.371  -2.069
  322   1HB   HIS  42           HBS      HIS  42  -1.328   3.940  -2.342
  323   2HB   HIS  42           HBR      HIS  42  -1.050   5.485  -3.199
  324    HD1  HIS  42           HD1      HIS  42   0.597   3.214  -0.844
  325    HD2  HIS  42           HD2      HIS  42   0.532   7.332  -1.472
  326    HE1  HIS  42           HE1      HIS  42   2.559   4.155   0.403
  327    HE2  HIS  42           HE2      HIS  42   2.616   6.621  -0.113
  328    H    ALA  43           HN       ALA  43  -2.214   3.198  -0.853
  329    HA   ALA  43           HA       ALA  43  -1.256   3.512   1.774
  330   1HB   ALA  43           HMB      ALA  43  -4.225   3.013   1.550
  331   2HB   ALA  43           HMB      ALA  43  -3.267   2.489   2.959
  332   3HB   ALA  43           HMB      ALA  43  -3.360   4.218   2.537
  333    H    GLU  44           HN       GLU  44  -1.008   1.447   2.870
  334    HA   GLU  44           HA       GLU  44  -0.453  -0.557   0.746
  335   1HB   GLU  44           HBR      GLU  44   1.523  -0.954   1.895
  336   2HB   GLU  44           HBS      GLU  44   1.297   0.709   1.855
  337   1HG   GLU  44           HGR      GLU  44   1.767   0.763   4.096
  338   2HG   GLU  44           HGS      GLU  44   0.066   0.235   4.204
  339    H    HIS  45           HN       HIS  45  -1.349  -2.484   0.828
  340    HA   HIS  45           HA       HIS  45  -2.154  -3.586   3.472
  341   1HB   HIS  45           HBS      HIS  45  -4.069  -3.143   1.939
  342   2HB   HIS  45           HBR      HIS  45  -3.330  -4.237   0.733
  343    HD1  HIS  45           HD1      HIS  45  -4.685  -4.412   4.336
  344    HD2  HIS  45           HD2      HIS  45  -3.714  -6.883   1.129
  345    HE1  HIS  45           HE1      HIS  45  -5.404  -6.725   4.983
  346    HE2  HIS  45           HE2      HIS  45  -4.851  -8.220   3.033
  347    H    GLU  46           HN       GLU  46  -0.602  -4.895   4.118
  348    HA   GLU  46           HA       GLU  46   1.129  -6.404   4.134
  349   1HB   GLU  46           HBR      GLU  46  -1.080  -7.585   3.230
  350   2HB   GLU  46           HBS      GLU  46  -0.218  -7.630   1.792
  351   1HG   GLU  46           HGS      GLU  46   0.399  -9.663   2.542
  352   2HG   GLU  46           HGR      GLU  46   1.774  -8.719   3.176
  353    H    GLY  47           HN       GLY  47   1.610  -4.055   2.661
  354   1HA   GLY  47           HAR      GLY  47   3.732  -3.483   1.826
  355   2HA   GLY  47           HAS      GLY  47   3.895  -5.122   1.139
  356    H    LYS  48           HN       LYS  48   0.986  -4.695   0.133
  357    HA   LYS  48           HA       LYS  48   1.883  -3.664  -2.504
  358   1HB   LYS  48           HBS      LYS  48  -0.806  -4.902  -2.020
  359   2HB   LYS  48           HBR      LYS  48   0.213  -4.900  -3.489
  360   1HG   LYS  48           HGR      LYS  48   1.768  -6.335  -1.737
  361   2HG   LYS  48           HGS      LYS  48   0.120  -6.804  -1.227
  362   1HD   LYS  48           HDR      LYS  48  -0.055  -8.182  -2.888
  363   2HD   LYS  48           HDS      LYS  48   0.110  -6.879  -4.033
  364   1HE   LYS  48           HES      LYS  48   2.636  -7.852  -2.843
  365   2HE   LYS  48           HER      LYS  48   1.744  -9.019  -3.857
  366   1HZ   LYS  48           HZA      LYS  48   2.142  -6.322  -4.853
  367   2HZ   LYS  48           HZB      LYS  48   3.404  -7.357  -4.898
  368   3HZ   LYS  48           HZC      LYS  48   2.017  -7.727  -5.676
  369    HA   PRO  49           HA       PRO  49  -0.202   0.042  -1.193
  370   1HB   PRO  49           HBR      PRO  49   0.667   1.431  -3.339
  371   2HB   PRO  49           HBS      PRO  49   1.363   1.437  -1.853
  372   1HG   PRO  49           HGS      PRO  49   2.233   0.149  -4.169
  373   2HG   PRO  49           HGR      PRO  49   3.115   0.554  -2.812
  374   1HD   PRO  49           HDS      PRO  49   2.324  -1.922  -3.418
  375   2HD   PRO  49           HDR      PRO  49   2.799  -1.428  -1.913
  376    H    TYR  50           HN       TYR  50  -1.684   1.661  -2.160
  377    HA   TYR  50           HA       TYR  50  -3.425   0.610  -4.254
  378   1HB   TYR  50           HBR      TYR  50  -3.979   0.153  -1.326
  379   2HB   TYR  50           HBS      TYR  50  -5.321   0.440  -2.468
  380    HD1  TYR  50           HD1      TYR  50  -5.762  -1.215  -4.288
  381    HD2  TYR  50           HD2      TYR  50  -3.015  -1.974  -1.135
  382    HE1  TYR  50           HE1      TYR  50  -5.704  -3.589  -4.921
  383    HE2  TYR  50           HE2      TYR  50  -2.933  -4.345  -1.764
  384    HH   TYR  50           HH       TYR  50  -3.184  -5.681  -3.576
  385    H    CYS  51           HN       CYS  51  -5.280   1.972  -4.577
  386    HA   CYS  51           HA       CYS  51  -5.386   4.652  -3.838
  387   1HB   CYS  51           HBS      CYS  51  -7.712   2.740  -4.162
  388   2HB   CYS  51           HBR      CYS  51  -7.835   4.519  -4.078
  389    H    ASN  52           HN       ASN  52  -5.696   5.766  -2.075
  390    HA   ASN  52           HA       ASN  52  -6.374   4.677   0.474
  391   1HB   ASN  52           HBR      ASN  52  -5.514   7.141  -0.477
  392   2HB   ASN  52           HBS      ASN  52  -7.142   7.449   0.191
  393   1HD2  ASN  52           HD2      ASN  52  -5.774   5.714   3.346
  394   2HD2  ASN  52           HD2      ASN  52  -6.897   5.209   2.129
  395    H    HIS  53           HN       HIS  53  -8.236   5.784  -2.270
  396    HA   HIS  53           HA       HIS  53 -10.322   3.971  -1.470
  397   1HB   HIS  53           HBS      HIS  53 -10.908   6.949  -1.383
  398   2HB   HIS  53           HBR      HIS  53 -12.159   5.770  -1.866
  399    HD1  HIS  53           HD1      HIS  53 -13.210   4.323   0.027
  400    HD2  HIS  53           HD2      HIS  53 -10.177   6.876   1.302
  401    HE1  HIS  53           HE1      HIS  53 -13.406   4.461   2.522
  402    HE2  HIS  53           HE2      HIS  53 -11.590   6.027   3.298
  403    HA   PRO  54           HA       PRO  54 -12.346   3.837  -2.023
  404   1HB   PRO  54           HBS      PRO  54 -13.723   2.122  -3.547
  405   2HB   PRO  54           HBR      PRO  54 -14.241   3.626  -3.139
  406   1HG   PRO  54           HGR      PRO  54 -13.425   2.714  -5.619
  407   2HG   PRO  54           HGS      PRO  54 -14.114   4.183  -5.235
  408   1HD   PRO  54           HDS      PRO  54 -11.457   3.658  -5.770
  409   2HD   PRO  54           HDR      PRO  54 -12.157   5.128  -5.485
  410    H    CYS  55           HN       CYS  55 -10.077   2.425  -3.925
  411    HA   CYS  55           HA       CYS  55 -10.728  -0.234  -3.784
  412   1HB   CYS  55           HBS      CYS  55  -7.955   0.963  -4.012
  413   2HB   CYS  55           HBR      CYS  55  -8.406  -0.720  -4.407
  414    H    TYR  56           HN       TYR  56  -8.522   1.531  -1.598
  415    HA   TYR  56           HA       TYR  56  -7.707  -0.714  -0.089
  416   1HB   TYR  56           HBR      TYR  56  -6.510   1.421  -0.052
  417   2HB   TYR  56           HBS      TYR  56  -7.897   2.201   0.761
  418    HD1  TYR  56           HD1      TYR  56  -5.356  -0.524   1.221
  419    HD2  TYR  56           HD2      TYR  56  -7.987   2.248   3.088
  420    HE1  TYR  56           HE1      TYR  56  -4.358  -1.054   3.403
  421    HE2  TYR  56           HE2      TYR  56  -6.981   1.745   5.270
  422    HH   TYR  56           HH       TYR  56  -3.999  -0.182   5.451
  423    H    SER  57           HN       SER  57 -10.409   1.560   0.332
  424    HA   SER  57           HA       SER  57 -11.257   0.344   2.864
  425   1HB   SER  57           HBS      SER  57 -11.702   2.812   1.604
  426   2HB   SER  57           HBR      SER  57 -13.277   1.967   1.598
  427    HG   SER  57           HG       SER  57 -13.357   2.930   3.469
  428    H    ALA  58           HN       ALA  58 -11.596  -0.149  -0.513
  429    HA   ALA  58           HA       ALA  58 -14.061  -1.551  -0.544
  430   1HB   ALA  58           HMB      ALA  58 -12.003  -0.872  -2.358
  431   2HB   ALA  58           HMB      ALA  58 -12.198  -2.642  -2.434
  432   3HB   ALA  58           HMB      ALA  58 -13.601  -1.577  -2.710
  433    H    MET  59           HN       MET  59 -10.699  -2.651  -0.096
  434    HA   MET  59           HA       MET  59 -11.692  -5.438   0.269
  435   1HB   MET  59           HBR      MET  59  -8.826  -4.596  -0.229
  436   2HB   MET  59           HBS      MET  59  -9.505  -6.243  -0.228
  437   1HG   MET  59           HGS      MET  59 -10.510  -4.112  -2.158
  438   2HG   MET  59           HGR      MET  59  -9.055  -5.072  -2.516
  439   1HE   MET  59           HME      MET  59 -12.585  -4.665  -2.862
  440   2HE   MET  59           HME      MET  59 -13.375  -6.257  -2.981
  441   3HE   MET  59           HME      MET  59 -12.980  -5.576  -1.382
  442    H    PHE  60           HN       PHE  60 -10.430  -2.601   1.704
  443    HA   PHE  60           HA       PHE  60  -9.884  -4.008   4.261
  444   1HB   PHE  60           HBR      PHE  60  -7.978  -1.887   3.289
  445   2HB   PHE  60           HBS      PHE  60  -7.713  -3.227   4.441
  446    HD1  PHE  60           HD2      PHE  60  -7.940  -5.688   3.257
  447    HD2  PHE  60           HD1      PHE  60  -6.997  -2.012   1.320
  448    HE1  PHE  60           HE2      PHE  60  -6.932  -6.942   1.380
  449    HE2  PHE  60           HE1      PHE  60  -5.991  -3.234  -0.554
  450    HZ   PHE  60           HZ       PHE  60  -6.010  -5.700  -0.556
  451    H    GLY  61           HN       GLY  61  -8.737  -1.770   5.509
  452   1HA   GLY  61           HAS      GLY  61 -10.494   0.479   5.483
  453   2HA   GLY  61           HAR      GLY  61 -11.011  -0.664   6.754
  454    HA   PRO  62           HA       PRO  62  -7.167   1.965   7.847
  455   1HB   PRO  62           HBS      PRO  62  -8.442   4.090   8.929
  456   2HB   PRO  62           HBR      PRO  62  -7.577   4.106   7.533
  457   1HG   PRO  62           HGS      PRO  62 -10.346   4.136   7.883
  458   2HG   PRO  62           HGR      PRO  62  -9.472   4.570   6.530
  459   1HD   PRO  62           HDS      PRO  62 -10.891   2.318   6.762
  460   2HD   PRO  62           HDR      PRO  62  -9.706   2.574   5.638
  461    H    LYS  63           HN       LYS  63  -7.238   3.420  10.201
  462    HA   LYS  63           HA       LYS  63  -8.037   1.311  12.139
  463   1HB   LYS  63           HBS      LYS  63  -6.772   2.552  13.785
  464   2HB   LYS  63           HBR      LYS  63  -5.750   2.174  12.369
  465   1HG   LYS  63           HGR      LYS  63  -6.980   4.759  12.001
  466   2HG   LYS  63           HGS      LYS  63  -6.186   4.698  13.601
  467   1HD   LYS  63           HDS      LYS  63  -4.900   4.086  10.939
  468   2HD   LYS  63           HDR      LYS  63  -4.730   5.555  11.861
  469   1HE   LYS  63           HES      LYS  63  -2.847   4.537  12.563
  470   2HE   LYS  63           HER      LYS  63  -3.988   3.872  13.764
  471   1HZ   LYS  63           HZC      LYS  63  -3.963   2.312  11.432
  472   2HZ   LYS  63           HZA      LYS  63  -2.442   2.466  12.008
  473   3HZ   LYS  63           HZB      LYS  63  -3.623   1.873  12.968
  474    H    GLY  64           HN       GLY  64  -9.428   1.769  13.809
  475   1HA   GLY  64           HAS      GLY  64 -10.924   4.354  13.650
  476   2HA   GLY  64           HAR      GLY  64 -11.681   2.810  14.127
  477    H    PHE  65           HN       PHE  65 -10.042   5.591  15.174
  478    HA   PHE  65           HA       PHE  65  -9.684   6.433  17.259
  479   1HB   PHE  65           HBS      PHE  65 -11.617   4.204  17.776
  480   2HB   PHE  65           HBR      PHE  65 -10.727   4.860  19.182
  481    HD1  PHE  65           HD1      PHE  65 -13.094   5.518  16.519
  482    HD2  PHE  65           HD2      PHE  65 -11.216   7.173  19.966
  483    HE1  PHE  65           HE1      PHE  65 -14.677   7.393  16.456
  484    HE2  PHE  65           HE2      PHE  65 -12.801   9.071  19.927
  485    HZ   PHE  65           HZ       PHE  65 -14.494   9.202  18.122
  486    H    GLY  66           HN       GLY  66  -9.698   3.006  18.216
  487   1HA   GLY  66           HAS      GLY  66  -7.550   3.373  20.010
  488   2HA   GLY  66           HAR      GLY  66  -8.211   1.800  19.492
  489    H    ARG  67           HN       ARG  67  -5.484   3.652  19.590
  490    HA   ARG  67           HA       ARG  67  -4.239   2.019  17.431
  491   1HB   ARG  67           HBS      ARG  67  -2.431   3.719  17.347
  492   2HB   ARG  67           HBR      ARG  67  -4.011   4.293  16.744
  493   1HG   ARG  67           HGS      ARG  67  -3.153   4.846  19.580
  494   2HG   ARG  67           HGR      ARG  67  -2.565   5.860  18.232
  495   1HD   ARG  67           HDS      ARG  67  -4.478   6.943  18.129
  496   2HD   ARG  67           HDR      ARG  67  -5.396   5.416  18.007
  497    HE   ARG  67           HE       ARG  67  -4.976   5.446  20.619
  498   1HH1  ARG  67           HH1      ARG  67  -6.080   8.006  18.459
  499   2HH1  ARG  67           HH1      ARG  67  -6.801   8.923  19.738
  500   1HH2  ARG  67           HH2      ARG  67  -5.819   6.736  22.282
  501   2HH2  ARG  67           HH2      ARG  67  -6.657   8.204  21.901
  502    H    GLY  68           HN       GLY  68  -2.506   0.835  17.987
  503   1HA   GLY  68           HAR      GLY  68  -0.837  -0.139  19.233
  504   2HA   GLY  68           HAS      GLY  68  -0.725   1.424  20.086
  505    H    GLY  69           HN       GLY  69  -1.458   1.590  22.120
  506   1HA   GLY  69           HAS      GLY  69  -2.764   1.225  23.996
  507   2HA   GLY  69           HAR      GLY  69  -3.610  -0.078  23.118
  508    H    ALA  70           HN       ALA  70  -0.333   0.635  24.404
  509    HA   ALA  70           HA       ALA  70  -0.498  -1.385  26.373
  510   1HB   ALA  70           HMB      ALA  70   0.770  -2.166  23.795
  511   2HB   ALA  70           HMB      ALA  70   1.594  -2.640  25.302
  512   3HB   ALA  70           HMB      ALA  70  -0.088  -3.147  25.010
  513    H    GLU  71           HN       GLU  71   0.663  -0.620  27.960
  514    HA   GLU  71           HA       GLU  71   3.017   1.122  27.352
  515   1HB   GLU  71           HBR      GLU  71   0.885   2.332  27.678
  516   2HB   GLU  71           HBS      GLU  71   0.634   1.499  29.112
  517   1HG   GLU  71           HGR      GLU  71   2.430   2.576  30.331
  518   2HG   GLU  71           HGS      GLU  71   3.072   3.207  28.791
  519    H    SER  72           HN       SER  72   1.330   0.388  30.392
  520    HA   SER  72           HA       SER  72   3.420  -1.551  31.181
  521   1HB   SER  72           HBR      SER  72   3.678   1.094  31.877
  522   2HB   SER  72           HBS      SER  72   2.814   0.402  33.279
  523    HG   SER  72           HG       SER  72   5.390   0.394  32.743
  524    H    HIS  73           HN       HIS  73   2.760  -3.069  32.572
  525    HA   HIS  73           HA       HIS  73  -0.067  -3.012  33.467
  526   1HB   HIS  73           HBR      HIS  73   1.648  -5.164  32.636
  527   2HB   HIS  73           HBS      HIS  73   1.252  -5.390  34.365
  528    HD1  HIS  73           HD1      HIS  73  -0.572  -4.831  31.017
  529    HD2  HIS  73           HD2      HIS  73  -1.201  -6.416  34.816
  530    HE1  HIS  73           HE1      HIS  73  -2.770  -6.032  30.927
  531    HE2  HIS  73           HE2      HIS  73  -3.145  -7.013  33.217
  532    H    THR  74           HN       THR  74   3.256  -3.540  34.679
  533    HA   THR  74           HA       THR  74   4.193  -3.234  36.750
  534    HB   THR  74           HB       THR  74   1.694  -2.015  37.950
  535    HG1  THR  74           HG1      THR  74   2.117  -0.238  37.094
  536   1HG2  THR  74           HMG      THR  74   4.543  -2.000  38.486
  537   2HG2  THR  74           HMG      THR  74   3.894  -0.345  38.365
  538   3HG2  THR  74           HMG      THR  74   3.181  -1.500  39.522
  539    H    PHE  75           HN       PHE  75   3.668  -3.817  39.146
  540    HA   PHE  75           HA       PHE  75   3.206  -5.502  40.610
  541   1HB   PHE  75           HBS      PHE  75   0.903  -6.542  38.977
  542   2HB   PHE  75           HBR      PHE  75   1.080  -6.373  40.747
  543    HD1  PHE  75           HD1      PHE  75   1.697  -3.773  41.294
  544    HD2  PHE  75           HD2      PHE  75  -0.912  -5.166  38.227
  545    HE1  PHE  75           HE1      PHE  75   0.567  -1.595  41.295
  546    HE2  PHE  75           HE2      PHE  75  -2.070  -2.980  38.212
  547    HZ   PHE  75           HZ       PHE  75  -1.276  -1.175  39.713
  548    H    LYS  76           HN       LYS  76   1.987  -7.040  37.629
  549    HA   LYS  76           HA       LYS  76   2.719  -8.829  36.400
  550   1HB   LYS  76           HBS      LYS  76   5.385  -7.903  37.518
  551   2HB   LYS  76           HBR      LYS  76   5.180  -9.123  36.229
  552   1HG   LYS  76           HGR      LYS  76   3.682  -6.850  35.430
  553   2HG   LYS  76           HGS      LYS  76   5.250  -6.238  36.033
  554   1HD   LYS  76           HDS      LYS  76   4.845  -8.337  33.900
  555   2HD   LYS  76           HDR      LYS  76   5.265  -6.665  33.645
  556   1HE   LYS  76           HES      LYS  76   7.364  -7.421  33.588
  557   2HE   LYS  76           HER      LYS  76   7.214  -7.356  35.367
  558   1HZ   LYS  76           HZA      LYS  76   6.572  -9.738  33.777
  559   2HZ   LYS  76           HZB      LYS  76   8.034  -9.481  34.457
  560   3HZ   LYS  76           HZC      LYS  76   6.710  -9.636  35.401
   
  No H/Q in entry =         560
  Start of MODEL   16
    1    H    PRO   1           HN       PRO   1  13.159   2.422   5.430
    2    HA   PRO   1           HA       PRO   1  14.549   3.891   4.075
    3   1HB   PRO   1           HBS      PRO   1  16.864   2.511   4.054
    4   2HB   PRO   1           HBR      PRO   1  16.643   3.979   4.756
    5   1HG   PRO   1           HGS      PRO   1  16.876   1.471   5.962
    6   2HG   PRO   1           HGR      PRO   1  17.089   2.973   6.655
    7   1HD   PRO   1           HDR      PRO   1  14.962   1.398   7.045
    8   2HD   PRO   1           HDS      PRO   1  15.018   3.014   7.391
    9    H    LYS   2           HN       LYS   2  13.633   0.767   4.387
   10    HA   LYS   2           HA       LYS   2  14.304   0.151   1.548
   11   1HB   LYS   2           HBS      LYS   2  14.088  -1.609   4.005
   12   2HB   LYS   2           HBR      LYS   2  14.092  -2.249   2.338
   13   1HG   LYS   2           HGR      LYS   2  16.309  -0.756   2.185
   14   2HG   LYS   2           HGS      LYS   2  16.314  -1.048   3.947
   15   1HD   LYS   2           HDR      LYS   2  16.343  -3.090   1.745
   16   2HD   LYS   2           HDS      LYS   2  17.658  -2.697   2.818
   17   1HE   LYS   2           HER      LYS   2  16.945  -4.180   4.293
   18   2HE   LYS   2           HES      LYS   2  15.342  -3.397   4.372
   19   1HZ   LYS   2           HZC      LYS   2  16.096  -5.246   2.225
   20   2HZ   LYS   2           HZA      LYS   2  15.387  -5.750   3.607
   21   3HZ   LYS   2           HZB      LYS   2  14.602  -4.716   2.615
   22    H    CYS   3           HN       CYS   3  12.843  -1.184   0.387
   23    HA   CYS   3           HA       CYS   3  10.312  -0.012   0.566
   24   1HB   CYS   3           HBS      CYS   3  11.692  -0.656  -1.460
   25   2HB   CYS   3           HBR      CYS   3  11.061  -2.311  -1.233
   26    HA   PRO   4           HA       PRO   4   8.041  -3.154   2.811
   27   1HB   PRO   4           HBR      PRO   4   5.769  -1.656   2.493
   28   2HB   PRO   4           HBS      PRO   4   6.631  -1.853   3.877
   29   1HG   PRO   4           HGS      PRO   4   6.409   0.422   2.503
   30   2HG   PRO   4           HGR      PRO   4   7.517   0.132   3.717
   31   1HD   PRO   4           HDS      PRO   4   7.919   0.106   0.915
   32   2HD   PRO   4           HDR      PRO   4   9.021   0.415   2.110
   33    H    LYS   5           HN       LYS   5   7.900  -2.073  -0.306
   34    HA   LYS   5           HA       LYS   5   5.674  -3.849  -1.110
   35   1HB   LYS   5           HBR      LYS   5   6.456  -1.441  -2.096
   36   2HB   LYS   5           HBS      LYS   5   7.361  -2.548  -3.168
   37   1HG   LYS   5           HGS      LYS   5   4.353  -2.454  -2.723
   38   2HG   LYS   5           HGR      LYS   5   5.247  -2.020  -4.208
   39   1HD   LYS   5           HDR      LYS   5   4.722  -4.074  -4.847
   40   2HD   LYS   5           HDS      LYS   5   6.084  -4.559  -3.874
   41   1HE   LYS   5           HER      LYS   5   3.928  -4.400  -2.097
   42   2HE   LYS   5           HES      LYS   5   3.270  -5.153  -3.577
   43   1HZ   LYS   5           HZA      LYS   5   5.658  -6.362  -3.167
   44   2HZ   LYS   5           HZB      LYS   5   5.041  -6.232  -1.660
   45   3HZ   LYS   5           HZC      LYS   5   4.189  -6.990  -2.829
   46    H    CYS   6           HN       CYS   6   8.904  -3.251  -2.520
   47    HA   CYS   6           HA       CYS   6   8.728  -5.982  -3.559
   48   1HB   CYS   6           HBS      CYS   6  10.450  -5.324  -5.128
   49   2HB   CYS   6           HBR      CYS   6   9.054  -4.213  -5.134
   50    H    ASP   7           HN       ASP   7  10.320  -4.391  -1.023
   51    HA   ASP   7           HA       ASP   7  11.964  -4.967   0.415
   52   1HB   ASP   7           HBS      ASP   7  10.763  -7.276  -0.027
   53   2HB   ASP   7           HBR      ASP   7  12.354  -7.677  -0.734
   54    H    LYS   8           HN       LYS   8  12.712  -3.405  -1.556
   55    HA   LYS   8           HA       LYS   8  15.545  -4.293  -1.851
   56   1HB   LYS   8           HBR      LYS   8  13.937  -3.207  -3.862
   57   2HB   LYS   8           HBS      LYS   8  14.893  -1.826  -3.255
   58   1HG   LYS   8           HGR      LYS   8  16.775  -2.567  -4.230
   59   2HG   LYS   8           HGS      LYS   8  16.517  -4.236  -3.647
   60   1HD   LYS   8           HDR      LYS   8  14.846  -3.211  -5.881
   61   2HD   LYS   8           HDS      LYS   8  16.510  -3.598  -6.224
   62   1HE   LYS   8           HES      LYS   8  15.665  -5.797  -4.784
   63   2HE   LYS   8           HER      LYS   8  14.214  -5.323  -5.712
   64   1HZ   LYS   8           HZB      LYS   8  16.876  -5.781  -6.871
   65   2HZ   LYS   8           HZC      LYS   8  15.640  -6.848  -6.912
   66   3HZ   LYS   8           HZA      LYS   8  15.513  -5.421  -7.696
   67    H    GLU   9           HN       GLU   9  16.735  -1.877  -2.048
   68    HA   GLU   9           HA       GLU   9  15.780  -0.270   0.287
   69   1HB   GLU   9           HBR      GLU   9  18.427   0.303  -0.864
   70   2HB   GLU   9           HBS      GLU   9  17.845   0.401   0.703
   71   1HG   GLU   9           HGS      GLU   9  17.772  -2.149   0.800
   72   2HG   GLU   9           HGR      GLU   9  18.885  -2.141  -0.594
   73    H    VAL  10           HN       VAL  10  15.715   1.991  -0.017
   74    HA   VAL  10           HA       VAL  10  14.896   2.511  -2.810
   75    HB   VAL  10           HB       VAL  10  13.808   3.348  -0.124
   76   1HG1  VAL  10           HMG      VAL  10  13.753   5.276  -1.794
   77   2HG1  VAL  10           HMG      VAL  10  12.606   4.288  -2.730
   78   3HG1  VAL  10           HMG      VAL  10  12.206   4.780  -1.066
   79   1HG2  VAL  10           HMG      VAL  10  13.331   1.134  -1.622
   80   2HG2  VAL  10           HMG      VAL  10  12.207   1.839  -0.437
   81   3HG2  VAL  10           HMG      VAL  10  12.024   2.223  -2.163
   82    H    TYR  11           HN       TYR  11  15.918   3.921  -3.967
   83    HA   TYR  11           HA       TYR  11  18.044   5.577  -2.794
   84   1HB   TYR  11           HBS      TYR  11  18.195   4.332  -5.032
   85   2HB   TYR  11           HBR      TYR  11  17.095   5.585  -5.671
   86    HD1  TYR  11           HD2      TYR  11  20.449   4.997  -4.210
   87    HD2  TYR  11           HD1      TYR  11  17.934   7.771  -6.227
   88    HE1  TYR  11           HE2      TYR  11  22.403   6.395  -4.706
   89    HE2  TYR  11           HE1      TYR  11  19.879   9.193  -6.706
   90    HH   TYR  11           HH       TYR  11  22.999   8.507  -5.165
   91    H    PHE  12           HN       PHE  12  18.096   7.852  -3.058
   92    HA   PHE  12           HA       PHE  12  15.956   8.848  -1.719
   93   1HB   PHE  12           HBS      PHE  12  17.970  10.515  -3.288
   94   2HB   PHE  12           HBR      PHE  12  16.855  11.143  -2.040
   95    HD1  PHE  12           HD2      PHE  12  17.199  10.385   0.386
   96    HD2  PHE  12           HD1      PHE  12  19.905   9.436  -2.767
   97    HE1  PHE  12           HE2      PHE  12  18.906   9.733   2.053
   98    HE2  PHE  12           HE1      PHE  12  21.613   8.780  -1.132
   99    HZ   PHE  12           HZ       PHE  12  21.095   8.868   1.278
  100    H    ALA  13           HN       ALA  13  16.796  10.268  -4.892
  101    HA   ALA  13           HA       ALA  13  14.363  11.383  -5.273
  102   1HB   ALA  13           HMB      ALA  13  16.455  11.917  -6.502
  103   2HB   ALA  13           HMB      ALA  13  16.245  10.428  -7.459
  104   3HB   ALA  13           HMB      ALA  13  15.058  11.750  -7.595
  105    H    GLU  14           HN       GLU  14  14.897   8.107  -5.440
  106    HA   GLU  14           HA       GLU  14  12.585   7.611  -7.206
  107   1HB   GLU  14           HBS      GLU  14  14.526   5.892  -5.722
  108   2HB   GLU  14           HBR      GLU  14  13.292   5.223  -6.642
  109   1HG   GLU  14           HGR      GLU  14  14.397   6.753  -8.620
  110   2HG   GLU  14           HGS      GLU  14  15.748   6.767  -7.452
  111    H    ARG  15           HN       ARG  15  12.583   8.771  -4.309
  112    HA   ARG  15           HA       ARG  15  11.464   6.530  -2.797
  113   1HB   ARG  15           HBR      ARG  15  11.819   7.834  -0.841
  114   2HB   ARG  15           HBS      ARG  15  13.264   8.002  -1.877
  115   1HG   ARG  15           HGR      ARG  15  12.386  10.217  -2.636
  116   2HG   ARG  15           HGS      ARG  15  11.065  10.048  -1.444
  117   1HD   ARG  15           HDR      ARG  15  12.744   9.836   0.339
  118   2HD   ARG  15           HDS      ARG  15  14.030  10.097  -0.874
  119    HE   ARG  15           HE       ARG  15  12.020  12.109  -0.011
  120   1HH1  ARG  15           HH1      ARG  15  14.885  11.309  -1.904
  121   2HH1  ARG  15           HH1      ARG  15  15.437  12.948  -1.961
  122   1HH2  ARG  15           HH2      ARG  15  12.843  14.221   0.003
  123   2HH2  ARG  15           HH2      ARG  15  14.282  14.598  -0.884
  124    H    VAL  16           HN       VAL  16   9.568   6.614  -1.572
  125    HA   VAL  16           HA       VAL  16   8.070   9.076  -1.517
  126    HB   VAL  16           HB       VAL  16   5.921   8.227  -2.140
  127   1HG1  VAL  16           HMG      VAL  16   8.003   7.713  -4.275
  128   2HG1  VAL  16           HMG      VAL  16   6.250   7.800  -4.578
  129   3HG1  VAL  16           HMG      VAL  16   7.117   9.223  -3.951
  130   1HG2  VAL  16           HMG      VAL  16   7.312   5.592  -2.632
  131   2HG2  VAL  16           HMG      VAL  16   5.982   5.948  -1.505
  132   3HG2  VAL  16           HMG      VAL  16   5.694   5.988  -3.261
  133    H    THR  17           HN       THR  17   6.617   9.170   0.247
  134    HA   THR  17           HA       THR  17   7.532   7.319   2.387
  135    HB   THR  17           HB       THR  17   6.467  10.109   2.963
  136    HG1  THR  17           HG1      THR  17   7.647  10.596   1.642
  137   1HG2  THR  17           HMG      THR  17   8.040   8.061   4.374
  138   2HG2  THR  17           HMG      THR  17   8.670   9.722   4.529
  139   3HG2  THR  17           HMG      THR  17   6.992   9.356   5.009
  140    H    SER  18           HN       SER  18   6.137   6.491   3.847
  141    HA   SER  18           HA       SER  18   3.491   7.183   4.245
  142   1HB   SER  18           HBS      SER  18   3.079   6.561   1.910
  143   2HB   SER  18           HBR      SER  18   3.669   4.908   2.245
  144    HG   SER  18           HG       SER  18   1.383   6.383   3.248
  145    H    LEU  19           HN       LEU  19   2.590   6.027   5.871
  146    HA   LEU  19           HA       LEU  19   2.748   4.947   7.880
  147   1HB   LEU  19           HBR      LEU  19   3.945   2.901   5.994
  148   2HB   LEU  19           HBS      LEU  19   3.520   2.569   7.698
  149    HG   LEU  19           HG       LEU  19   1.783   1.696   6.337
  150   1HD1  LEU  19           HMD      LEU  19   1.001   4.375   7.525
  151   2HD1  LEU  19           HMD      LEU  19  -0.160   3.141   6.977
  152   3HD1  LEU  19           HMD      LEU  19   0.954   2.781   8.320
  153   1HD2  LEU  19           HMD      LEU  19   2.420   3.092   4.351
  154   2HD2  LEU  19           HMD      LEU  19   0.664   2.966   4.631
  155   3HD2  LEU  19           HMD      LEU  19   1.536   4.450   5.091
  156    H    GLY  20           HN       GLY  20   5.075   6.589   6.732
  157   1HA   GLY  20           HAS      GLY  20   6.665   7.608   8.115
  158   2HA   GLY  20           HAR      GLY  20   6.694   6.153   9.144
  159    H    LYS  21           HN       LYS  21   6.889   4.610   6.440
  160    HA   LYS  21           HA       LYS  21   9.863   4.824   6.277
  161   1HB   LYS  21           HBR      LYS  21   8.366   2.567   7.023
  162   2HB   LYS  21           HBS      LYS  21   8.806   2.300   5.312
  163   1HG   LYS  21           HGR      LYS  21  10.546   1.317   6.594
  164   2HG   LYS  21           HGS      LYS  21  11.204   2.860   5.978
  165   1HD   LYS  21           HDR      LYS  21   9.907   3.226   8.519
  166   2HD   LYS  21           HDS      LYS  21  11.091   1.954   8.642
  167   1HE   LYS  21           HES      LYS  21  12.069   4.275   7.152
  168   2HE   LYS  21           HER      LYS  21  11.537   4.664   8.813
  169   1HZ   LYS  21           HZA      LYS  21  13.316   2.406   8.264
  170   2HZ   LYS  21           HZB      LYS  21  13.904   3.915   8.479
  171   3HZ   LYS  21           HZC      LYS  21  13.065   3.186   9.677
  172    H    ASP  22           HN       ASP  22  10.751   4.365   4.202
  173    HA   ASP  22           HA       ASP  22   9.149   5.742   2.245
  174   1HB   ASP  22           HBS      ASP  22  11.988   4.842   1.846
  175   2HB   ASP  22           HBR      ASP  22  11.124   6.237   1.136
  176    H    TRP  23           HN       TRP  23   9.339   5.164  -0.097
  177    HA   TRP  23           HA       TRP  23   9.421   2.239  -0.612
  178   1HB   TRP  23           HBR      TRP  23   7.282   4.164  -1.532
  179   2HB   TRP  23           HBS      TRP  23   7.311   2.381  -1.719
  180    HD1  TRP  23           HD1      TRP  23   6.855   5.127   0.962
  181    HE1  TRP  23           HE1      TRP  23   5.252   4.231   2.766
  182    HE3  TRP  23           HE3      TRP  23   6.307   0.393  -0.813
  183    HZ2  TRP  23           HZ2      TRP  23   3.779   1.885   3.207
  184    HZ3  TRP  23           HZ3      TRP  23   4.808  -1.141   0.377
  185    HH2  TRP  23           HH2      TRP  23   3.446  -0.368   2.250
  186    H    HIS  24           HN       ZHI  24   9.120   1.899  -3.072
  187    HA   HIS  24           HA       ZHI  24  10.691   3.863  -4.584
  188   1HB   HIS  24           HBS      ZHI  24   9.520   1.198  -5.506
  189   2HB   HIS  24           HBR      ZHI  24  10.631   2.250  -6.433
  190    HD2  HIS  24           HD2      ZHI  24  12.956   2.828  -4.406
  191    HE1  HIS  24           HE1      ZHI  24  12.772  -1.072  -2.914
  192    HE2  HIS  24           HE2      ZHI  24  14.290   0.896  -3.320
  193    H    ARG  25           HN       ARG  25  10.015   5.035  -6.295
  194    HA   ARG  25           HA       ARG  25   7.343   6.050  -6.127
  195   1HB   ARG  25           HBS      ARG  25   9.651   7.038  -7.137
  196   2HB   ARG  25           HBR      ARG  25   8.872   6.469  -8.641
  197   1HG   ARG  25           HGR      ARG  25   7.034   7.925  -8.364
  198   2HG   ARG  25           HGS      ARG  25   7.451   8.259  -6.659
  199   1HD   ARG  25           HDS      ARG  25   8.493  10.065  -7.379
  200   2HD   ARG  25           HDR      ARG  25   9.722   8.971  -8.073
  201    HE   ARG  25           HE       ARG  25   7.447  10.188  -9.545
  202   1HH1  ARG  25           HH1      ARG  25  10.370   8.217  -9.587
  203   2HH1  ARG  25           HH1      ARG  25  10.673   8.508 -11.267
  204   1HH2  ARG  25           HH2      ARG  25   7.948  10.650 -11.708
  205   2HH2  ARG  25           HH2      ARG  25   9.302   9.883 -12.468
  206    HA   PRO  26           HA       PRO  26   6.880   3.318 -10.172
  207   1HB   PRO  26           HBR      PRO  26   8.720   1.253  -9.720
  208   2HB   PRO  26           HBS      PRO  26   8.467   2.107 -11.100
  209   1HG   PRO  26           HGS      PRO  26  10.594   2.352  -9.545
  210   2HG   PRO  26           HGR      PRO  26  10.122   3.474 -10.687
  211   1HD   PRO  26           HDS      PRO  26   9.932   3.646  -7.897
  212   2HD   PRO  26           HDR      PRO  26   9.821   4.863  -9.011
  213    H    CYS  27           HN       CYS  27   7.622   2.166  -7.045
  214    HA   CYS  27           HA       CYS  27   6.011  -0.211  -7.299
  215   1HB   CYS  27           HBS      CYS  27   7.645   1.088  -5.174
  216   2HB   CYS  27           HBR      CYS  27   6.368  -0.055  -4.666
  217    H    LEU  28           HN       LEU  28   5.653   2.876  -5.531
  218    HA   LEU  28           HA       LEU  28   3.197   2.130  -4.228
  219   1HB   LEU  28           HBS      LEU  28   5.026   3.882  -3.653
  220   2HB   LEU  28           HBR      LEU  28   4.115   4.947  -4.763
  221    HG   LEU  28           HG       LEU  28   2.091   4.234  -3.211
  222   1HD1  LEU  28           HMD      LEU  28   4.131   2.926  -1.906
  223   2HD1  LEU  28           HMD      LEU  28   4.024   4.463  -1.007
  224   3HD1  LEU  28           HMD      LEU  28   2.584   3.425  -1.174
  225   1HD2  LEU  28           HMD      LEU  28   3.773   6.426  -3.569
  226   2HD2  LEU  28           HMD      LEU  28   2.210   6.410  -2.714
  227   3HD2  LEU  28           HMD      LEU  28   3.726   6.195  -1.803
  228    H    LYS  29           HN       LYS  29   2.130   1.221  -6.108
  229    HA   LYS  29           HA       LYS  29   0.372   3.316  -7.235
  230   1HB   LYS  29           HBR      LYS  29   0.193   1.646  -9.271
  231   2HB   LYS  29           HBS      LYS  29   1.406   2.958  -9.230
  232   1HG   LYS  29           HGR      LYS  29   2.948   1.103  -8.173
  233   2HG   LYS  29           HGS      LYS  29   1.782  -0.017  -8.934
  234   1HD   LYS  29           HDR      LYS  29   3.743   0.413 -10.311
  235   2HD   LYS  29           HDS      LYS  29   2.233   0.790 -11.094
  236   1HE   LYS  29           HES      LYS  29   2.604   3.109 -10.946
  237   2HE   LYS  29           HER      LYS  29   3.843   2.895  -9.678
  238   1HZ   LYS  29           HZA      LYS  29   4.379   1.627 -12.204
  239   2HZ   LYS  29           HZB      LYS  29   4.413   3.261 -12.217
  240   3HZ   LYS  29           HZC      LYS  29   5.386   2.431 -11.200
  241    H    CYS  30           HN       CYS  30  -1.742   2.646  -7.545
  242    HA   CYS  30           HA       CYS  30  -2.854   0.573  -6.014
  243   1HB   CYS  30           HBS      CYS  30  -3.945   2.607  -7.194
  244   2HB   CYS  30           HBR      CYS  30  -4.130   1.479  -8.569
  245    H    GLU  31           HN       GLU  31  -2.910  -1.519  -6.189
  246    HA   GLU  31           HA       GLU  31  -2.227  -2.840  -8.769
  247   1HB   GLU  31           HBR      GLU  31  -1.427  -3.311  -6.226
  248   2HB   GLU  31           HBS      GLU  31  -2.857  -4.189  -6.220
  249   1HG   GLU  31           HGS      GLU  31  -1.734  -5.930  -6.966
  250   2HG   GLU  31           HGR      GLU  31  -1.833  -5.177  -8.580
  251    H    LYS  32           HN       LYS  32  -4.785  -1.349  -7.846
  252    HA   LYS  32           HA       LYS  32  -6.622  -3.478  -8.843
  253   1HB   LYS  32           HBS      LYS  32  -7.091  -2.101  -6.644
  254   2HB   LYS  32           HBR      LYS  32  -7.595  -0.839  -7.804
  255   1HG   LYS  32           HGS      LYS  32  -9.469  -2.285  -6.954
  256   2HG   LYS  32           HGR      LYS  32  -9.294  -2.270  -8.732
  257   1HD   LYS  32           HDR      LYS  32  -7.829  -4.369  -7.257
  258   2HD   LYS  32           HDS      LYS  32  -9.563  -4.482  -7.146
  259   1HE   LYS  32           HES      LYS  32  -7.791  -4.641  -9.568
  260   2HE   LYS  32           HER      LYS  32  -9.015  -5.798  -8.974
  261   1HZ   LYS  32           HZB      LYS  32 -10.408  -3.545  -9.439
  262   2HZ   LYS  32           HZC      LYS  32  -9.341  -3.550 -10.674
  263   3HZ   LYS  32           HZA      LYS  32 -10.326  -4.832 -10.441
  264    H    CYS  33           HN       CYS  33  -6.273   0.090  -8.972
  265    HA   CYS  33           HA       CYS  33  -7.344  -0.082 -11.694
  266   1HB   CYS  33           HBS      CYS  33  -8.077   2.162 -11.421
  267   2HB   CYS  33           HBR      CYS  33  -8.528   1.181 -10.001
  268    H    GLY  34           HN       GLY  34  -4.337   0.438 -10.226
  269   1HA   GLY  34           HAR      GLY  34  -2.278   0.949 -11.110
  270   2HA   GLY  34           HAS      GLY  34  -3.058   1.007 -12.713
  271    H    LYS  35           HN       LYS  35  -3.823   2.960  -9.836
  272    HA   LYS  35           HA       LYS  35  -3.007   5.443 -11.243
  273   1HB   LYS  35           HBS      LYS  35  -5.035   4.872  -9.368
  274   2HB   LYS  35           HBR      LYS  35  -3.797   5.810  -8.486
  275   1HG   LYS  35           HGS      LYS  35  -4.707   6.775 -11.183
  276   2HG   LYS  35           HGR      LYS  35  -5.775   7.015  -9.771
  277   1HD   LYS  35           HDS      LYS  35  -3.411   7.880  -8.775
  278   2HD   LYS  35           HDR      LYS  35  -3.141   8.197 -10.468
  279   1HE   LYS  35           HER      LYS  35  -4.171  10.112 -10.192
  280   2HE   LYS  35           HES      LYS  35  -5.692   9.185 -10.059
  281   1HZ   LYS  35           HZA      LYS  35  -4.098   9.417  -7.669
  282   2HZ   LYS  35           HZB      LYS  35  -4.825  10.787  -8.181
  283   3HZ   LYS  35           HZC      LYS  35  -5.719   9.460  -7.853
  284    H    THR  36           HN       THR  36  -1.058   6.222 -10.965
  285    HA   THR  36           HA       THR  36   0.857   5.296  -9.005
  286    HB   THR  36           HB       THR  36   0.816   7.893 -10.650
  287    HG1  THR  36           HG1      THR  36   0.713   6.447 -11.844
  288   1HG2  THR  36           HMG      THR  36   2.809   6.723  -8.786
  289   2HG2  THR  36           HMG      THR  36   3.431   7.363 -10.330
  290   3HG2  THR  36           HMG      THR  36   2.502   8.421  -9.236
  291    H    LEU  37           HN       LEU  37   1.335   6.090  -7.049
  292    HA   LEU  37           HA       LEU  37  -0.989   7.431  -5.833
  293   1HB   LEU  37           HBS      LEU  37   1.162   5.563  -4.799
  294   2HB   LEU  37           HBR      LEU  37  -0.143   6.253  -3.794
  295    HG   LEU  37           HG       LEU  37  -0.561   4.445  -6.188
  296   1HD1  LEU  37           HMD      LEU  37  -0.295   3.937  -3.237
  297   2HD1  LEU  37           HMD      LEU  37  -1.396   2.936  -4.216
  298   3HD1  LEU  37           HMD      LEU  37   0.339   3.001  -4.615
  299   1HD2  LEU  37           HMD      LEU  37  -2.251   6.275  -5.068
  300   2HD2  LEU  37           HMD      LEU  37  -2.770   4.779  -5.883
  301   3HD2  LEU  37           HMD      LEU  37  -2.624   4.821  -4.109
  302    H    THR  38           HN       THR  38  -0.777   9.524  -5.540
  303    HA   THR  38           HA       THR  38   1.764  10.601  -4.439
  304    HB   THR  38           HB       THR  38   0.647  11.762  -6.443
  305    HG1  THR  38           HG1      THR  38   1.057  13.573  -5.702
  306   1HG2  THR  38           HMG      THR  38  -1.644  11.746  -4.785
  307   2HG2  THR  38           HMG      THR  38  -1.097  13.438  -4.897
  308   3HG2  THR  38           HMG      THR  38  -1.441  12.514  -6.380
  309    H    SER  39           HN       SER  39   0.838  12.729  -3.052
  310    HA   SER  39           HA       SER  39  -0.154  13.502  -1.141
  311   1HB   SER  39           HBR      SER  39  -2.480  13.432  -1.233
  312   2HB   SER  39           HBS      SER  39  -1.959  13.212  -2.928
  313    HG   SER  39           HG       SER  39  -3.394  11.707  -2.832
  314    H    GLY  40           HN       GLY  40  -2.129  12.461   0.505
  315   1HA   GLY  40           HAR      GLY  40  -1.248   9.733   1.282
  316   2HA   GLY  40           HAS      GLY  40  -1.666  10.917   2.550
  317    H    GLY  41           HN       GLY  41  -3.055  10.208  -0.670
  318   1HA   GLY  41           HAR      GLY  41  -5.701   9.679   0.622
  319   2HA   GLY  41           HAS      GLY  41  -5.498  10.229  -1.060
  320    H    HIS  42           HN       HIS  42  -2.989   8.122  -0.329
  321    HA   HIS  42           HA       HIS  42  -4.436   5.800  -1.403
  322   1HB   HIS  42           HBS      HIS  42  -2.331   4.818  -1.881
  323   2HB   HIS  42           HBR      HIS  42  -2.241   6.531  -2.381
  324    HD1  HIS  42           HD1      HIS  42  -1.135   4.354   0.608
  325    HD2  HIS  42           HD2      HIS  42   0.019   7.680  -1.614
  326    HE1  HIS  42           HE1      HIS  42   1.217   4.885   1.297
  327    HE2  HIS  42           HE2      HIS  42   1.871   6.976   0.051
  328    H    ALA  43           HN       ALA  43  -2.889   3.751  -0.521
  329    HA   ALA  43           HA       ALA  43  -2.904   3.647   2.373
  330   1HB   ALA  43           HMB      ALA  43  -5.287   3.282   1.961
  331   2HB   ALA  43           HMB      ALA  43  -4.896   1.932   0.865
  332   3HB   ALA  43           HMB      ALA  43  -4.495   1.819   2.597
  333    H    GLU  44           HN       GLU  44  -2.813   0.978   2.786
  334    HA   GLU  44           HA       GLU  44  -1.816  -0.595   0.638
  335   1HB   GLU  44           HBR      GLU  44   0.458  -0.881   1.290
  336   2HB   GLU  44           HBS      GLU  44   0.113   0.719   0.920
  337   1HG   GLU  44           HGS      GLU  44   1.410   1.055   2.757
  338   2HG   GLU  44           HGR      GLU  44  -0.215   1.170   3.487
  339    H    HIS  45           HN       HIS  45  -1.270  -2.780   1.357
  340    HA   HIS  45           HA       HIS  45  -2.024  -3.334   4.184
  341   1HB   HIS  45           HBS      HIS  45  -2.590  -5.618   3.635
  342   2HB   HIS  45           HBR      HIS  45  -3.556  -4.513   2.615
  343    HD1  HIS  45           HD1      HIS  45  -0.514  -6.838   2.352
  344    HD2  HIS  45           HD2      HIS  45  -3.513  -5.129   0.023
  345    HE1  HIS  45           HE1      HIS  45  -0.387  -7.950   0.110
  346    HE2  HIS  45           HE2      HIS  45  -2.234  -6.959  -1.286
  347    H    GLU  46           HN       GLU  46  -0.226  -3.348   5.286
  348    HA   GLU  46           HA       GLU  46   1.793  -4.072   6.115
  349   1HB   GLU  46           HBR      GLU  46   0.124  -6.125   5.324
  350   2HB   GLU  46           HBS      GLU  46   1.538  -6.498   4.502
  351   1HG   GLU  46           HGR      GLU  46   1.226  -6.423   7.513
  352   2HG   GLU  46           HGS      GLU  46   1.846  -7.701   6.432
  353    H    GLY  47           HN       GLY  47   1.750  -2.797   3.333
  354   1HA   GLY  47           HAR      GLY  47   3.927  -2.084   2.505
  355   2HA   GLY  47           HAS      GLY  47   4.418  -3.797   2.445
  356    H    LYS  48           HN       LYS  48   1.166  -3.169   1.521
  357    HA   LYS  48           HA       LYS  48   1.889  -3.375  -1.369
  358   1HB   LYS  48           HBS      LYS  48   1.205  -5.581  -0.476
  359   2HB   LYS  48           HBR      LYS  48  -0.323  -4.856   0.095
  360   1HG   LYS  48           HGS      LYS  48  -0.690  -6.066  -1.988
  361   2HG   LYS  48           HGR      LYS  48  -0.919  -4.312  -2.249
  362   1HD   LYS  48           HDR      LYS  48   0.397  -4.583  -3.995
  363   2HD   LYS  48           HDS      LYS  48   1.715  -4.603  -2.855
  364   1HE   LYS  48           HES      LYS  48   1.802  -6.990  -2.868
  365   2HE   LYS  48           HER      LYS  48   0.236  -7.081  -3.726
  366   1HZ   LYS  48           HZB      LYS  48   1.785  -5.578  -5.331
  367   2HZ   LYS  48           HZC      LYS  48   2.844  -6.690  -4.775
  368   3HZ   LYS  48           HZA      LYS  48   1.478  -7.170  -5.531
  369    HA   PRO  49           HA       PRO  49  -0.696   0.190  -0.599
  370   1HB   PRO  49           HBR      PRO  49   0.360   1.742  -2.497
  371   2HB   PRO  49           HBS      PRO  49   0.904   1.670  -0.949
  372   1HG   PRO  49           HGS      PRO  49   2.077   0.612  -3.249
  373   2HG   PRO  49           HGR      PRO  49   2.794   0.956  -1.781
  374   1HD   PRO  49           HDS      PRO  49   2.131  -1.505  -2.670
  375   2HD   PRO  49           HDR      PRO  49   2.585  -1.124  -1.126
  376    H    TYR  50           HN       TYR  50  -2.413   1.342  -1.453
  377    HA   TYR  50           HA       TYR  50  -2.976   1.011  -4.276
  378   1HB   TYR  50           HBR      TYR  50  -5.165   0.150  -2.363
  379   2HB   TYR  50           HBS      TYR  50  -5.121   0.019  -4.144
  380    HD1  TYR  50           HD1      TYR  50  -3.456  -1.303  -1.051
  381    HD2  TYR  50           HD2      TYR  50  -4.581  -2.019  -5.090
  382    HE1  TYR  50           HE1      TYR  50  -2.847  -3.671  -0.797
  383    HE2  TYR  50           HE2      TYR  50  -4.001  -4.389  -4.840
  384    HH   TYR  50           HH       TYR  50  -2.361  -5.644  -3.422
  385    H    CYS  51           HN       CYS  51  -5.390   2.077  -4.514
  386    HA   CYS  51           HA       CYS  51  -5.643   4.641  -3.373
  387   1HB   CYS  51           HBS      CYS  51  -7.822   2.704  -4.199
  388   2HB   CYS  51           HBR      CYS  51  -8.066   4.427  -3.795
  389    H    ASN  52           HN       ASN  52  -6.270   5.431  -1.503
  390    HA   ASN  52           HA       ASN  52  -6.956   3.836   0.783
  391   1HB   ASN  52           HBS      ASN  52  -6.017   6.210   0.741
  392   2HB   ASN  52           HBR      ASN  52  -7.706   6.724   0.453
  393   1HD2  ASN  52           HD2      ASN  52  -6.955   6.816   4.119
  394   2HD2  ASN  52           HD2      ASN  52  -6.302   7.567   2.701
  395    H    HIS  53           HN       HIS  53  -8.743   5.338  -1.844
  396    HA   HIS  53           HA       HIS  53 -10.792   3.302  -1.540
  397   1HB   HIS  53           HBS      HIS  53 -11.468   6.220  -1.034
  398   2HB   HIS  53           HBR      HIS  53 -12.653   5.088  -1.747
  399    HD1  HIS  53           HD1      HIS  53 -13.927   3.599  -0.104
  400    HD2  HIS  53           HD2      HIS  53 -10.705   5.593   1.623
  401    HE1  HIS  53           HE1      HIS  53 -14.186   3.345   2.376
  402    HE2  HIS  53           HE2      HIS  53 -12.237   4.546   3.427
  403    HA   PRO  54           HA       PRO  54 -12.760   3.189  -2.248
  404   1HB   PRO  54           HBS      PRO  54 -13.959   1.725  -4.129
  405   2HB   PRO  54           HBR      PRO  54 -14.566   3.127  -3.526
  406   1HG   PRO  54           HGR      PRO  54 -13.526   2.654  -6.050
  407   2HG   PRO  54           HGS      PRO  54 -14.330   4.006  -5.500
  408   1HD   PRO  54           HDS      PRO  54 -11.615   3.707  -5.894
  409   2HD   PRO  54           HDR      PRO  54 -12.423   5.073  -5.425
  410    H    CYS  55           HN       CYS  55 -10.280   2.275  -4.164
  411    HA   CYS  55           HA       CYS  55 -10.789  -0.401  -4.574
  412   1HB   CYS  55           HBS      CYS  55  -8.075   0.936  -4.403
  413   2HB   CYS  55           HBR      CYS  55  -8.438  -0.636  -5.174
  414    H    TYR  56           HN       TYR  56  -8.834   1.053  -1.966
  415    HA   TYR  56           HA       TYR  56  -8.098  -1.385  -0.691
  416   1HB   TYR  56           HBR      TYR  56  -6.974   0.707  -0.183
  417   2HB   TYR  56           HBS      TYR  56  -8.490   1.407   0.454
  418    HD1  TYR  56           HD1      TYR  56  -5.980  -1.308   1.075
  419    HD2  TYR  56           HD2      TYR  56  -9.032   1.159   2.713
  420    HE1  TYR  56           HE1      TYR  56  -5.340  -2.029   3.335
  421    HE2  TYR  56           HE2      TYR  56  -8.390   0.465   4.977
  422    HH   TYR  56           HH       TYR  56  -5.388  -1.077   5.585
  423    H    SER  57           HN       SER  57 -10.815   0.877  -0.139
  424    HA   SER  57           HA       SER  57 -11.954  -0.673   1.951
  425   1HB   SER  57           HBS      SER  57 -12.361   1.852   0.870
  426   2HB   SER  57           HBR      SER  57 -13.892   0.987   0.555
  427    HG   SER  57           HG       SER  57 -12.463   1.617   2.976
  428    H    ALA  58           HN       ALA  58 -11.993  -1.024  -1.451
  429    HA   ALA  58           HA       ALA  58 -14.555  -2.361  -1.582
  430   1HB   ALA  58           HMB      ALA  58 -12.317  -1.917  -3.568
  431   2HB   ALA  58           HMB      ALA  58 -13.833  -2.767  -3.955
  432   3HB   ALA  58           HMB      ALA  58 -13.873  -1.060  -3.448
  433    H    MET  59           HN       MET  59 -11.132  -3.349  -1.825
  434    HA   MET  59           HA       MET  59 -11.935  -6.119  -2.319
  435   1HB   MET  59           HBR      MET  59  -9.470  -4.496  -2.639
  436   2HB   MET  59           HBS      MET  59  -9.249  -6.231  -2.273
  437   1HG   MET  59           HGR      MET  59 -10.894  -6.714  -4.150
  438   2HG   MET  59           HGS      MET  59 -10.769  -4.998  -4.608
  439   1HE   MET  59           HME      MET  59  -9.372  -8.260  -4.092
  440   2HE   MET  59           HME      MET  59  -8.709  -8.408  -5.739
  441   3HE   MET  59           HME      MET  59  -7.611  -8.201  -4.352
  442    H    PHE  60           HN       PHE  60 -10.313  -4.199   0.177
  443    HA   PHE  60           HA       PHE  60  -9.379  -6.538   1.574
  444   1HB   PHE  60           HBR      PHE  60  -8.803  -3.713   1.655
  445   2HB   PHE  60           HBS      PHE  60  -9.202  -4.274   3.305
  446    HD1  PHE  60           HD1      PHE  60  -7.378  -5.492   0.325
  447    HD2  PHE  60           HD2      PHE  60  -7.312  -5.029   4.561
  448    HE1  PHE  60           HE1      PHE  60  -5.202  -6.624   0.393
  449    HE2  PHE  60           HE2      PHE  60  -5.118  -6.168   4.656
  450    HZ   PHE  60           HZ       PHE  60  -4.097  -7.017   2.563
  451    H    GLY  61           HN       GLY  61 -11.074  -7.757   2.246
  452   1HA   GLY  61           HAR      GLY  61 -12.442  -6.668   4.667
  453   2HA   GLY  61           HAS      GLY  61 -13.269  -7.803   3.565
  454    HA   PRO  62           HA       PRO  62  -9.243  -9.953   5.180
  455   1HB   PRO  62           HBS      PRO  62  -8.617  -8.921   7.676
  456   2HB   PRO  62           HBR      PRO  62  -7.647  -8.988   6.353
  457   1HG   PRO  62           HGS      PRO  62  -8.978  -6.812   7.390
  458   2HG   PRO  62           HGR      PRO  62  -7.878  -6.827   6.137
  459   1HD   PRO  62           HDS      PRO  62 -10.506  -6.385   5.864
  460   2HD   PRO  62           HDR      PRO  62  -9.478  -6.785   4.631
  461    H    LYS  63           HN       LYS  63  -9.975 -11.883   5.422
  462    HA   LYS  63           HA       LYS  63 -10.782 -13.743   6.489
  463   1HB   LYS  63           HBR      LYS  63  -9.937 -12.067   8.870
  464   2HB   LYS  63           HBS      LYS  63 -10.527 -13.750   8.997
  465   1HG   LYS  63           HGR      LYS  63  -8.113 -13.771   9.033
  466   2HG   LYS  63           HGS      LYS  63  -8.667 -14.457   7.478
  467   1HD   LYS  63           HDS      LYS  63  -8.294 -11.611   7.241
  468   2HD   LYS  63           HDR      LYS  63  -6.872 -12.338   7.937
  469   1HE   LYS  63           HES      LYS  63  -6.505 -13.753   6.108
  470   2HE   LYS  63           HER      LYS  63  -8.158 -13.480   5.483
  471   1HZ   LYS  63           HZC      LYS  63  -7.346 -11.068   5.353
  472   2HZ   LYS  63           HZA      LYS  63  -5.846 -11.712   5.374
  473   3HZ   LYS  63           HZB      LYS  63  -6.893 -12.121   4.190
  474    H    GLY  64           HN       GLY  64 -12.907 -13.502   5.775
  475   1HA   GLY  64           HAR      GLY  64 -15.231 -13.629   6.468
  476   2HA   GLY  64           HAS      GLY  64 -14.862 -12.489   7.789
  477    H    PHE  65           HN       PHE  65 -16.373 -12.740   4.911
  478    HA   PHE  65           HA       PHE  65 -16.850  -9.950   4.829
  479   1HB   PHE  65           HBS      PHE  65 -14.697  -9.866   3.559
  480   2HB   PHE  65           HBR      PHE  65 -15.409 -10.964   2.340
  481    HD1  PHE  65           HD2      PHE  65 -16.863  -7.934   4.104
  482    HD2  PHE  65           HD1      PHE  65 -15.659  -9.792   0.463
  483    HE1  PHE  65           HE2      PHE  65 -17.863  -6.066   2.827
  484    HE2  PHE  65           HE1      PHE  65 -16.646  -7.953  -0.827
  485    HZ   PHE  65           HZ       PHE  65 -17.800  -6.119   0.349
  486    H    GLY  66           HN       GLY  66 -16.712 -12.196   2.069
  487   1HA   GLY  66           HAR      GLY  66 -19.592 -11.703   1.653
  488   2HA   GLY  66           HAS      GLY  66 -18.422 -12.312   0.452
  489    H    ARG  67           HN       ARG  67 -17.875 -14.498   0.416
  490    HA   ARG  67           HA       ARG  67 -20.019 -16.189   1.566
  491   1HB   ARG  67           HBS      ARG  67 -18.214 -16.619  -0.839
  492   2HB   ARG  67           HBR      ARG  67 -19.487 -17.736  -0.269
  493   1HG   ARG  67           HGS      ARG  67 -21.175 -15.964  -0.683
  494   2HG   ARG  67           HGR      ARG  67 -19.882 -14.924  -1.344
  495   1HD   ARG  67           HDS      ARG  67 -21.281 -16.210  -3.005
  496   2HD   ARG  67           HDR      ARG  67 -19.507 -16.357  -3.153
  497    HE   ARG  67           HE       ARG  67 -21.097 -18.433  -1.739
  498   1HH1  ARG  67           HH1      ARG  67 -19.121 -17.487  -4.502
  499   2HH1  ARG  67           HH1      ARG  67 -18.666 -19.116  -4.874
  500   1HH2  ARG  67           HH2      ARG  67 -20.377 -20.537  -2.178
  501   2HH2  ARG  67           HH2      ARG  67 -19.378 -20.844  -3.560
  502    H    GLY  68           HN       GLY  68 -16.816 -17.058   0.283
  503   1HA   GLY  68           HAS      GLY  68 -15.018 -18.127   1.460
  504   2HA   GLY  68           HAR      GLY  68 -16.110 -18.395   2.845
  505    H    GLY  69           HN       GLY  69 -14.460 -20.051   0.712
  506   1HA   GLY  69           HAS      GLY  69 -16.347 -21.994  -0.331
  507   2HA   GLY  69           HAR      GLY  69 -14.582 -22.195  -0.155
  508    H    ALA  70           HN       ALA  70 -15.525 -24.386   0.481
  509    HA   ALA  70           HA       ALA  70 -15.626 -25.997   2.103
  510   1HB   ALA  70           HMB      ALA  70 -14.147 -23.712   3.329
  511   2HB   ALA  70           HMB      ALA  70 -14.629 -25.072   4.374
  512   3HB   ALA  70           HMB      ALA  70 -13.607 -25.366   2.944
  513    H    GLU  71           HN       GLU  71 -16.108 -26.020   4.767
  514    HA   GLU  71           HA       GLU  71 -18.967 -25.165   4.802
  515   1HB   GLU  71           HBS      GLU  71 -19.385 -27.179   5.871
  516   2HB   GLU  71           HBR      GLU  71 -18.585 -27.520   4.436
  517   1HG   GLU  71           HGS      GLU  71 -17.131 -27.264   7.080
  518   2HG   GLU  71           HGR      GLU  71 -17.900 -28.824   6.679
  519    H    SER  72           HN       SER  72 -19.932 -24.984   6.942
  520    HA   SER  72           HA       SER  72 -20.074 -24.326   9.118
  521   1HB   SER  72           HBR      SER  72 -17.319 -25.587   9.220
  522   2HB   SER  72           HBS      SER  72 -18.240 -25.020  10.642
  523    HG   SER  72           HG       SER  72 -19.997 -26.356  10.073
  524    H    HIS  73           HN       HIS  73 -16.570 -23.839   8.932
  525    HA   HIS  73           HA       HIS  73 -16.725 -20.941   8.764
  526   1HB   HIS  73           HBR      HIS  73 -17.583 -21.351  11.090
  527   2HB   HIS  73           HBS      HIS  73 -16.033 -22.156  11.473
  528    HD1  HIS  73           HD1      HIS  73 -14.546 -20.548  12.740
  529    HD2  HIS  73           HD2      HIS  73 -16.817 -18.635   9.821
  530    HE1  HIS  73           HE1      HIS  73 -13.789 -18.159  12.709
  531    HE2  HIS  73           HE2      HIS  73 -15.145 -17.001  10.929
  532    H    THR  74           HN       THR  74 -15.067 -20.784   7.426
  533    HA   THR  74           HA       THR  74 -12.379 -21.365   8.474
  534    HB   THR  74           HB       THR  74 -12.816 -23.500   7.442
  535    HG1  THR  74           HG1      THR  74 -11.109 -23.144   6.995
  536   1HG2  THR  74           HMG      THR  74 -14.632 -22.238   5.799
  537   2HG2  THR  74           HMG      THR  74 -13.299 -22.640   4.686
  538   3HG2  THR  74           HMG      THR  74 -14.076 -23.925   5.646
  539    H    PHE  75           HN       PHE  75 -14.131 -20.515   5.460
  540    HA   PHE  75           HA       PHE  75 -14.053 -18.671   4.127
  541   1HB   PHE  75           HBR      PHE  75 -14.209 -17.611   6.567
  542   2HB   PHE  75           HBS      PHE  75 -12.559 -17.052   6.171
  543    HD1  PHE  75           HD1      PHE  75 -12.141 -15.607   4.352
  544    HD2  PHE  75           HD2      PHE  75 -16.150 -16.598   5.402
  545    HE1  PHE  75           HE1      PHE  75 -12.943 -13.766   2.943
  546    HE2  PHE  75           HE2      PHE  75 -16.984 -14.746   3.991
  547    HZ   PHE  75           HZ       PHE  75 -15.366 -13.371   2.712
  548    H    LYS  76           HN       LYS  76 -11.080 -18.066   6.007
  549    HA   LYS  76           HA       LYS  76  -9.520 -17.634   3.564
  550   1HB   LYS  76           HBS      LYS  76  -9.055 -16.319   5.589
  551   2HB   LYS  76           HBR      LYS  76  -8.651 -17.821   6.467
  552   1HG   LYS  76           HGR      LYS  76  -7.158 -17.418   3.941
  553   2HG   LYS  76           HGS      LYS  76  -6.833 -16.201   5.209
  554   1HD   LYS  76           HDS      LYS  76  -6.543 -19.195   5.455
  555   2HD   LYS  76           HDR      LYS  76  -5.263 -18.023   5.301
  556   1HE   LYS  76           HES      LYS  76  -5.578 -17.149   7.433
  557   2HE   LYS  76           HER      LYS  76  -7.219 -17.846   7.557
  558   1HZ   LYS  76           HZB      LYS  76  -5.965 -20.040   7.374
  559   2HZ   LYS  76           HZC      LYS  76  -4.642 -19.188   7.809
  560   3HZ   LYS  76           HZA      LYS  76  -5.936 -19.250   8.802
   
  No H/Q in entry =         560
  Start of MODEL   17
    1    H    PRO   1           HN       PRO   1  12.342   2.996   5.172
    2    HA   PRO   1           HA       PRO   1  14.266   4.224   4.306
    3   1HB   PRO   1           HBR      PRO   1  16.250   2.478   4.848
    4   2HB   PRO   1           HBS      PRO   1  16.076   3.961   5.530
    5   1HG   PRO   1           HGS      PRO   1  15.561   1.463   6.659
    6   2HG   PRO   1           HGR      PRO   1  15.831   2.918   7.433
    7   1HD   PRO   1           HDR      PRO   1  13.444   1.738   7.195
    8   2HD   PRO   1           HDS      PRO   1  13.674   3.329   7.579
    9    H    LYS   2           HN       LYS   2  13.275   0.986   4.407
   10    HA   LYS   2           HA       LYS   2  14.288   0.582   1.631
   11   1HB   LYS   2           HBR      LYS   2  14.280  -1.844   2.242
   12   2HB   LYS   2           HBS      LYS   2  15.473  -0.842   3.121
   13   1HG   LYS   2           HGS      LYS   2  13.790  -0.746   5.031
   14   2HG   LYS   2           HGR      LYS   2  12.867  -2.006   4.164
   15   1HD   LYS   2           HDS      LYS   2  14.302  -3.617   4.772
   16   2HD   LYS   2           HDR      LYS   2  15.694  -2.630   4.419
   17   1HE   LYS   2           HER      LYS   2  15.774  -1.679   6.515
   18   2HE   LYS   2           HES      LYS   2  14.081  -2.111   6.889
   19   1HZ   LYS   2           HZC      LYS   2  15.089  -4.486   6.548
   20   2HZ   LYS   2           HZA      LYS   2  16.464  -3.740   7.017
   21   3HZ   LYS   2           HZB      LYS   2  15.154  -3.727   7.992
   22    H    CYS   3           HN       CYS   3  13.050  -0.649   0.204
   23    HA   CYS   3           HA       CYS   3  10.399   0.194   0.261
   24   1HB   CYS   3           HBS      CYS   3  11.977  -0.134  -1.689
   25   2HB   CYS   3           HBR      CYS   3  11.528  -1.862  -1.630
   26    HA   PRO   4           HA       PRO   4   8.363  -3.342   2.096
   27   1HB   PRO   4           HBR      PRO   4   5.990  -1.962   1.850
   28   2HB   PRO   4           HBS      PRO   4   6.791  -2.324   3.237
   29   1HG   PRO   4           HGS      PRO   4   6.498   0.120   2.245
   30   2HG   PRO   4           HGR      PRO   4   7.617  -0.307   3.408
   31   1HD   PRO   4           HDS      PRO   4   8.020   0.128   0.638
   32   2HD   PRO   4           HDR      PRO   4   9.100   0.322   1.877
   33    H    LYS   5           HN       LYS   5   8.248  -2.002  -0.901
   34    HA   LYS   5           HA       LYS   5   6.348  -3.977  -1.942
   35   1HB   LYS   5           HBR      LYS   5   6.728  -1.448  -2.646
   36   2HB   LYS   5           HBS      LYS   5   7.962  -2.179  -3.710
   37   1HG   LYS   5           HGR      LYS   5   5.734  -1.853  -4.806
   38   2HG   LYS   5           HGS      LYS   5   6.301  -3.547  -4.804
   39   1HD   LYS   5           HDR      LYS   5   4.878  -4.099  -2.977
   40   2HD   LYS   5           HDS      LYS   5   4.377  -2.444  -2.762
   41   1HE   LYS   5           HES      LYS   5   2.766  -4.007  -3.951
   42   2HE   LYS   5           HER      LYS   5   3.121  -2.447  -4.748
   43   1HZ   LYS   5           HZB      LYS   5   4.743  -3.638  -6.095
   44   2HZ   LYS   5           HZC      LYS   5   4.299  -5.055  -5.418
   45   3HZ   LYS   5           HZA      LYS   5   3.230  -4.210  -6.318
   46    H    CYS   6           HN       CYS   6   9.588  -2.919  -3.060
   47    HA   CYS   6           HA       CYS   6   9.760  -5.525  -4.452
   48   1HB   CYS   6           HBS      CYS   6  11.467  -4.553  -5.832
   49   2HB   CYS   6           HBR      CYS   6   9.971  -3.585  -5.846
   50    H    ASP   7           HN       ASP   7  10.869  -4.061  -1.633
   51    HA   ASP   7           HA       ASP   7  12.485  -4.478  -0.136
   52   1HB   ASP   7           HBS      ASP   7  13.155  -6.632   0.328
   53   2HB   ASP   7           HBR      ASP   7  11.521  -6.794  -0.374
   54    H    LYS   8           HN       LYS   8  13.208  -2.814  -1.989
   55    HA   LYS   8           HA       LYS   8  16.126  -3.423  -2.130
   56   1HB   LYS   8           HBS      LYS   8  14.487  -2.097  -4.030
   57   2HB   LYS   8           HBR      LYS   8  15.464  -0.842  -3.217
   58   1HG   LYS   8           HGR      LYS   8  17.381  -2.708  -3.693
   59   2HG   LYS   8           HGS      LYS   8  16.286  -3.017  -5.072
   60   1HD   LYS   8           HDR      LYS   8  17.614  -0.424  -4.334
   61   2HD   LYS   8           HDS      LYS   8  18.021  -1.449  -5.682
   62   1HE   LYS   8           HER      LYS   8  15.205  -0.598  -5.559
   63   2HE   LYS   8           HES      LYS   8  16.389   0.719  -5.795
   64   1HZ   LYS   8           HZA      LYS   8  17.168  -1.255  -7.482
   65   2HZ   LYS   8           HZB      LYS   8  15.539  -1.264  -7.616
   66   3HZ   LYS   8           HZC      LYS   8  16.373   0.111  -7.897
   67    H    GLU   9           HN       GLU   9  17.105  -0.916  -1.901
   68    HA   GLU   9           HA       GLU   9  15.738   0.357   0.429
   69   1HB   GLU   9           HBR      GLU   9  18.542   1.068  -0.209
   70   2HB   GLU   9           HBS      GLU   9  17.684   1.123   1.229
   71   1HG   GLU   9           HGR      GLU   9  18.000  -1.691   0.384
   72   2HG   GLU   9           HGS      GLU   9  19.532  -0.806   0.617
   73    H    VAL  10           HN       VAL  10  15.710   2.678   0.329
   74    HA   VAL  10           HA       VAL  10  15.082   3.307  -2.483
   75    HB   VAL  10           HB       VAL  10  13.744   3.864   0.157
   76   1HG1  VAL  10           HMG      VAL  10  13.670   5.922  -1.366
   77   2HG1  VAL  10           HMG      VAL  10  12.641   4.942  -2.436
   78   3HG1  VAL  10           HMG      VAL  10  12.124   5.274  -0.765
   79   1HG2  VAL  10           HMG      VAL  10  13.540   1.774  -1.575
   80   2HG2  VAL  10           HMG      VAL  10  12.305   2.272  -0.398
   81   3HG2  VAL  10           HMG      VAL  10  12.183   2.815  -2.087
   82    H    TYR  11           HN       TYR  11  16.037   4.869  -3.493
   83    HA   TYR  11           HA       TYR  11  17.923   6.634  -2.079
   84   1HB   TYR  11           HBR      TYR  11  17.231   6.724  -5.023
   85   2HB   TYR  11           HBS      TYR  11  18.713   7.278  -4.193
   86    HD1  TYR  11           HD1      TYR  11  20.046   5.304  -2.955
   87    HD2  TYR  11           HD2      TYR  11  17.362   4.752  -6.207
   88    HE1  TYR  11           HE1      TYR  11  21.136   3.166  -3.484
   89    HE2  TYR  11           HE2      TYR  11  18.455   2.625  -6.759
   90    HH   TYR  11           HH       TYR  11  21.492   1.946  -5.869
   91    H    PHE  12           HN       PHE  12  17.804   8.922  -2.294
   92    HA   PHE  12           HA       PHE  12  15.518   9.652  -1.040
   93   1HB   PHE  12           HBR      PHE  12  17.772  10.892  -1.039
   94   2HB   PHE  12           HBS      PHE  12  17.154  11.776  -2.464
   95    HD1  PHE  12           HD2      PHE  12  14.808  12.995  -2.114
   96    HD2  PHE  12           HD1      PHE  12  17.253  11.515   1.046
   97    HE1  PHE  12           HE2      PHE  12  13.677  14.524  -0.531
   98    HE2  PHE  12           HE1      PHE  12  16.151  13.024   2.635
   99    HZ   PHE  12           HZ       PHE  12  14.404  14.573   1.838
  100    H    ALA  13           HN       ALA  13  16.371  11.195  -4.161
  101    HA   ALA  13           HA       ALA  13  13.889  12.197  -4.549
  102   1HB   ALA  13           HMB      ALA  13  16.056  11.498  -6.554
  103   2HB   ALA  13           HMB      ALA  13  14.639  12.497  -6.964
  104   3HB   ALA  13           HMB      ALA  13  15.795  13.055  -5.729
  105    H    GLU  14           HN       GLU  14  14.603   8.966  -4.847
  106    HA   GLU  14           HA       GLU  14  12.346   8.435  -6.675
  107   1HB   GLU  14           HBS      GLU  14  14.353   6.758  -5.231
  108   2HB   GLU  14           HBR      GLU  14  13.159   6.058  -6.181
  109   1HG   GLU  14           HGS      GLU  14  15.296   6.222  -7.389
  110   2HG   GLU  14           HGR      GLU  14  14.126   7.273  -8.231
  111    H    ARG  15           HN       ARG  15  12.258   9.447  -3.708
  112    HA   ARG  15           HA       ARG  15  11.280   7.060  -2.323
  113   1HB   ARG  15           HBR      ARG  15  11.540   8.258  -0.296
  114   2HB   ARG  15           HBS      ARG  15  12.967   8.612  -1.309
  115   1HG   ARG  15           HGS      ARG  15  11.679  10.768  -1.969
  116   2HG   ARG  15           HGR      ARG  15  10.686  10.422  -0.524
  117   1HD   ARG  15           HDR      ARG  15  13.582  10.204  -0.109
  118   2HD   ARG  15           HDS      ARG  15  13.009  11.837  -0.548
  119    HE   ARG  15           HE       ARG  15  12.400  10.344   1.904
  120   1HH1  ARG  15           HH1      ARG  15  11.984  13.257  -0.038
  121   2HH1  ARG  15           HH1      ARG  15  11.122  14.096   1.207
  122   1HH2  ARG  15           HH2      ARG  15  11.153  11.426   3.461
  123   2HH2  ARG  15           HH2      ARG  15  10.651  13.060   3.187
  124    H    VAL  16           HN       VAL  16   9.363   6.880  -1.203
  125    HA   VAL  16           HA       VAL  16   7.713   9.224  -0.913
  126    HB   VAL  16           HB       VAL  16   5.623   8.322  -1.638
  127   1HG1  VAL  16           HMG      VAL  16   7.071   9.488  -3.312
  128   2HG1  VAL  16           HMG      VAL  16   7.566   7.888  -3.917
  129   3HG1  VAL  16           HMG      VAL  16   5.858   8.386  -4.009
  130   1HG2  VAL  16           HMG      VAL  16   7.142   5.823  -2.405
  131   2HG2  VAL  16           HMG      VAL  16   5.858   5.991  -1.185
  132   3HG2  VAL  16           HMG      VAL  16   5.475   6.187  -2.912
  133    H    THR  17           HN       THR  17   6.427   9.136   0.917
  134    HA   THR  17           HA       THR  17   7.381   7.028   2.791
  135    HB   THR  17           HB       THR  17   6.678   9.914   3.547
  136    HG1  THR  17           HG1      THR  17   9.029   8.669   2.994
  137   1HG2  THR  17           HMG      THR  17   7.796   7.587   4.990
  138   2HG2  THR  17           HMG      THR  17   8.579   9.156   5.302
  139   3HG2  THR  17           HMG      THR  17   6.828   8.964   5.576
  140    H    SER  18           HN       SER  18   6.022   6.096   4.187
  141    HA   SER  18           HA       SER  18   3.305   6.739   4.661
  142   1HB   SER  18           HBS      SER  18   3.287   6.389   2.133
  143   2HB   SER  18           HBR      SER  18   3.565   4.659   2.486
  144    HG   SER  18           HG       SER  18   1.738   4.963   4.100
  145    H    LEU  19           HN       LEU  19   2.389   5.337   6.056
  146    HA   LEU  19           HA       LEU  19   2.530   4.018   7.924
  147   1HB   LEU  19           HBR      LEU  19   3.655   2.321   5.693
  148   2HB   LEU  19           HBS      LEU  19   3.425   1.685   7.347
  149    HG   LEU  19           HG       LEU  19   1.572   0.972   6.075
  150   1HD1  LEU  19           HMD      LEU  19   0.767   3.459   7.621
  151   2HD1  LEU  19           HMD      LEU  19  -0.325   2.144   7.120
  152   3HD1  LEU  19           HMD      LEU  19   0.981   1.820   8.291
  153   1HD2  LEU  19           HMD      LEU  19   2.089   2.888   4.363
  154   2HD2  LEU  19           HMD      LEU  19   0.434   2.245   4.516
  155   3HD2  LEU  19           HMD      LEU  19   0.866   3.788   5.296
  156    H    GLY  20           HN       GLY  20   4.899   5.789   7.093
  157   1HA   GLY  20           HAR      GLY  20   6.422   6.573   8.684
  158   2HA   GLY  20           HAS      GLY  20   6.431   4.968   9.462
  159    H    LYS  21           HN       LYS  21   6.750   3.901   6.543
  160    HA   LYS  21           HA       LYS  21   9.716   4.207   6.497
  161   1HB   LYS  21           HBR      LYS  21   8.065   1.721   5.953
  162   2HB   LYS  21           HBS      LYS  21   9.772   1.921   5.462
  163   1HG   LYS  21           HGS      LYS  21   8.811   2.146   8.337
  164   2HG   LYS  21           HGR      LYS  21   9.405   0.628   7.605
  165   1HD   LYS  21           HDR      LYS  21  11.456   1.218   8.090
  166   2HD   LYS  21           HDS      LYS  21  11.334   2.590   7.023
  167   1HE   LYS  21           HES      LYS  21  10.068   3.026   9.633
  168   2HE   LYS  21           HER      LYS  21  11.812   2.649   9.717
  169   1HZ   LYS  21           HZC      LYS  21  11.051   4.558   7.716
  170   2HZ   LYS  21           HZA      LYS  21  10.843   5.062   9.256
  171   3HZ   LYS  21           HZB      LYS  21  12.316   4.572   8.749
  172    H    ASP  22           HN       ASP  22  10.639   3.990   4.379
  173    HA   ASP  22           HA       ASP  22   8.993   5.529   2.573
  174   1HB   ASP  22           HBS      ASP  22  11.885   4.850   2.138
  175   2HB   ASP  22           HBR      ASP  22  10.953   6.270   1.584
  176    H    TRP  23           HN       TRP  23   9.250   5.246   0.190
  177    HA   TRP  23           HA       TRP  23   9.493   2.406  -0.653
  178   1HB   TRP  23           HBR      TRP  23   7.291   4.336  -1.402
  179   2HB   TRP  23           HBS      TRP  23   7.410   2.595  -1.813
  180    HD1  TRP  23           HD1      TRP  23   6.753   4.951   1.180
  181    HE1  TRP  23           HE1      TRP  23   5.108   3.778   2.770
  182    HE3  TRP  23           HE3      TRP  23   6.503   0.458  -1.190
  183    HZ2  TRP  23           HZ2      TRP  23   3.793   1.303   2.898
  184    HZ3  TRP  23           HZ3      TRP  23   5.094  -1.301  -0.223
  185    HH2  TRP  23           HH2      TRP  23   3.674  -0.858   1.710
  186    H    HIS  24           HN       ZHI  24   9.326   2.296  -3.123
  187    HA   HIS  24           HA       ZHI  24  10.743   4.547  -4.398
  188   1HB   HIS  24           HBS      ZHI  24   9.914   1.886  -5.640
  189   2HB   HIS  24           HBR      ZHI  24  10.962   3.138  -6.368
  190    HD2  HIS  24           HD2      ZHI  24  13.149   3.677  -4.220
  191    HE1  HIS  24           HE1      ZHI  24  13.226  -0.343  -3.081
  192    HE2  HIS  24           HE2      ZHI  24  14.604   1.760  -3.265
  193    H    ARG  25           HN       ARG  25   9.882   5.909  -5.808
  194    HA   ARG  25           HA       ARG  25   7.200   6.433  -5.744
  195   1HB   ARG  25           HBS      ARG  25   7.813   7.546  -8.172
  196   2HB   ARG  25           HBR      ARG  25   8.075   8.300  -6.576
  197   1HG   ARG  25           HGS      ARG  25  10.297   8.270  -6.801
  198   2HG   ARG  25           HGR      ARG  25  10.314   6.598  -7.428
  199   1HD   ARG  25           HDR      ARG  25  11.128   8.439  -8.969
  200   2HD   ARG  25           HDS      ARG  25   9.913   7.302  -9.618
  201    HE   ARG  25           HE       ARG  25   9.092   9.945  -8.539
  202   1HH1  ARG  25           HH1      ARG  25   9.469   7.780 -11.295
  203   2HH1  ARG  25           HH1      ARG  25   8.264   8.593 -12.238
  204   1HH2  ARG  25           HH2      ARG  25   7.440  10.910  -9.755
  205   2HH2  ARG  25           HH2      ARG  25   7.122  10.368 -11.369
  206    HA   PRO  26           HA       PRO  26   6.679   4.185 -10.000
  207   1HB   PRO  26           HBR      PRO  26   8.527   2.274 -10.430
  208   2HB   PRO  26           HBS      PRO  26   8.437   3.708 -11.227
  209   1HG   PRO  26           HGR      PRO  26  10.261   2.943  -9.251
  210   2HG   PRO  26           HGS      PRO  26  10.380   4.167 -10.380
  211   1HD   PRO  26           HDS      PRO  26   9.858   4.513  -7.768
  212   2HD   PRO  26           HDR      PRO  26   9.643   5.654  -8.944
  213    H    CYS  27           HN       CYS  27   7.914   2.531  -7.271
  214    HA   CYS  27           HA       CYS  27   6.503   0.124  -7.680
  215   1HB   CYS  27           HBS      CYS  27   7.906   1.422  -5.394
  216   2HB   CYS  27           HBR      CYS  27   6.794   0.069  -5.040
  217    H    LEU  28           HN       LEU  28   5.665   3.061  -5.858
  218    HA   LEU  28           HA       LEU  28   3.526   1.918  -4.415
  219   1HB   LEU  28           HBS      LEU  28   4.964   4.030  -4.063
  220   2HB   LEU  28           HBR      LEU  28   3.773   4.839  -5.120
  221    HG   LEU  28           HG       LEU  28   2.006   4.035  -3.458
  222   1HD1  LEU  28           HMD      LEU  28   4.304   2.827  -2.307
  223   2HD1  LEU  28           HMD      LEU  28   3.793   4.137  -1.213
  224   3HD1  LEU  28           HMD      LEU  28   2.638   2.860  -1.675
  225   1HD2  LEU  28           HMD      LEU  28   3.633   6.292  -3.666
  226   2HD2  LEU  28           HMD      LEU  28   2.100   6.160  -2.770
  227   3HD2  LEU  28           HMD      LEU  28   3.648   5.894  -1.930
  228    H    LYS  29           HN       LYS  29   2.280   0.742  -5.880
  229    HA   LYS  29           HA       LYS  29   0.531   2.356  -7.672
  230   1HB   LYS  29           HBS      LYS  29   0.755   0.700  -9.415
  231   2HB   LYS  29           HBR      LYS  29   2.353   1.384  -9.003
  232   1HG   LYS  29           HGS      LYS  29   2.612  -0.708  -7.484
  233   2HG   LYS  29           HGR      LYS  29   1.254  -1.377  -8.436
  234   1HD   LYS  29           HDS      LYS  29   3.390  -0.194 -10.063
  235   2HD   LYS  29           HDR      LYS  29   3.971  -1.450  -9.004
  236   1HE   LYS  29           HES      LYS  29   2.034  -2.881  -9.873
  237   2HE   LYS  29           HER      LYS  29   1.908  -1.649 -11.161
  238   1HZ   LYS  29           HZB      LYS  29   4.528  -2.227 -11.072
  239   2HZ   LYS  29           HZC      LYS  29   3.852  -3.689 -10.801
  240   3HZ   LYS  29           HZA      LYS  29   3.462  -2.845 -12.143
  241    H    CYS  30           HN       CYS  30  -1.538   1.787  -7.674
  242    HA   CYS  30           HA       CYS  30  -2.629  -0.213  -5.985
  243   1HB   CYS  30           HBS      CYS  30  -3.755   1.854  -6.981
  244   2HB   CYS  30           HBR      CYS  30  -4.015   0.844  -8.434
  245    H    GLU  31           HN       GLU  31  -2.530  -2.297  -6.139
  246    HA   GLU  31           HA       GLU  31  -2.551  -3.616  -8.799
  247   1HB   GLU  31           HBR      GLU  31  -2.108  -4.519  -5.953
  248   2HB   GLU  31           HBS      GLU  31  -2.419  -5.598  -7.200
  249   1HG   GLU  31           HGR      GLU  31  -0.343  -3.958  -8.272
  250   2HG   GLU  31           HGS      GLU  31   0.075  -4.343  -6.581
  251    H    LYS  32           HN       LYS  32  -4.859  -2.133  -7.894
  252    HA   LYS  32           HA       LYS  32  -6.813  -4.389  -7.927
  253   1HB   LYS  32           HBR      LYS  32  -6.397  -2.343  -5.949
  254   2HB   LYS  32           HBS      LYS  32  -7.987  -2.102  -6.732
  255   1HG   LYS  32           HGR      LYS  32  -7.521  -4.910  -6.100
  256   2HG   LYS  32           HGS      LYS  32  -7.369  -3.878  -4.649
  257   1HD   LYS  32           HDR      LYS  32  -9.524  -2.967  -4.954
  258   2HD   LYS  32           HDS      LYS  32  -9.716  -3.690  -6.527
  259   1HE   LYS  32           HES      LYS  32  -9.865  -4.928  -3.807
  260   2HE   LYS  32           HER      LYS  32 -10.977  -5.069  -5.197
  261   1HZ   LYS  32           HZA      LYS  32  -8.991  -6.239  -6.260
  262   2HZ   LYS  32           HZB      LYS  32  -8.451  -6.447  -4.732
  263   3HZ   LYS  32           HZC      LYS  32  -9.897  -7.063  -5.179
  264    H    CYS  33           HN       CYS  33  -6.202  -0.957  -8.711
  265    HA   CYS  33           HA       CYS  33  -7.982  -1.388 -11.064
  266   1HB   CYS  33           HBS      CYS  33  -8.341   0.987 -11.196
  267   2HB   CYS  33           HBR      CYS  33  -8.862   0.319  -9.625
  268    H    GLY  34           HN       GLY  34  -4.783  -0.676  -9.957
  269   1HA   GLY  34           HAR      GLY  34  -2.795  -0.421 -11.115
  270   2HA   GLY  34           HAS      GLY  34  -3.702  -0.632 -12.636
  271    H    LYS  35           HN       LYS  35  -3.902   1.767  -9.975
  272    HA   LYS  35           HA       LYS  35  -3.155   3.895 -11.927
  273   1HB   LYS  35           HBR      LYS  35  -5.382   4.027 -10.491
  274   2HB   LYS  35           HBS      LYS  35  -4.245   4.556  -9.217
  275   1HG   LYS  35           HGR      LYS  35  -3.765   5.938 -11.748
  276   2HG   LYS  35           HGS      LYS  35  -5.441   6.159 -11.172
  277   1HD   LYS  35           HDR      LYS  35  -3.423   6.431  -9.085
  278   2HD   LYS  35           HDS      LYS  35  -3.220   7.591 -10.370
  279   1HE   LYS  35           HES      LYS  35  -5.776   8.004 -10.068
  280   2HE   LYS  35           HER      LYS  35  -5.524   7.176  -8.505
  281   1HZ   LYS  35           HZA      LYS  35  -3.522   9.010  -8.719
  282   2HZ   LYS  35           HZB      LYS  35  -4.849   9.804  -9.245
  283   3HZ   LYS  35           HZC      LYS  35  -4.843   9.115  -7.765
  284    H    THR  36           HN       THR  36  -1.206   4.708 -11.688
  285    HA   THR  36           HA       THR  36   0.619   4.006  -9.569
  286    HB   THR  36           HB       THR  36   0.738   6.352 -11.548
  287    HG1  THR  36           HG1      THR  36   1.821   3.862 -11.456
  288   1HG2  THR  36           HMG      THR  36   2.714   5.247  -9.596
  289   2HG2  THR  36           HMG      THR  36   3.297   5.854 -11.167
  290   3HG2  THR  36           HMG      THR  36   2.383   6.931 -10.079
  291    H    LEU  37           HN       LEU  37   1.111   5.043  -7.735
  292    HA   LEU  37           HA       LEU  37  -1.175   6.603  -6.732
  293   1HB   LEU  37           HBS      LEU  37   1.042   5.030  -5.385
  294   2HB   LEU  37           HBR      LEU  37  -0.287   5.865  -4.532
  295    HG   LEU  37           HG       LEU  37  -0.684   3.619  -6.523
  296   1HD1  LEU  37           HMD      LEU  37  -0.312   3.650  -3.532
  297   2HD1  LEU  37           HMD      LEU  37  -1.337   2.419  -4.313
  298   3HD1  LEU  37           HMD      LEU  37   0.386   2.551  -4.749
  299   1HD2  LEU  37           HMD      LEU  37  -2.421   5.238  -4.659
  300   2HD2  LEU  37           HMD      LEU  37  -2.640   4.898  -6.396
  301   3HD2  LEU  37           HMD      LEU  37  -2.905   3.608  -5.194
  302    H    THR  38           HN       THR  38  -1.027   8.490  -5.611
  303    HA   THR  38           HA       THR  38   1.283  10.243  -5.910
  304    HB   THR  38           HB       THR  38  -1.246  10.406  -4.174
  305    HG1  THR  38           HG1      THR  38  -0.268  11.715  -6.344
  306   1HG2  THR  38           HMG      THR  38   1.165  11.936  -3.931
  307   2HG2  THR  38           HMG      THR  38  -0.147  12.987  -4.524
  308   3HG2  THR  38           HMG      THR  38  -0.359  12.060  -3.016
  309    H    SER  39           HN       SER  39   2.617  10.902  -4.175
  310    HA   SER  39           HA       SER  39   3.634   8.837  -2.559
  311   1HB   SER  39           HBR      SER  39   3.912  11.837  -2.208
  312   2HB   SER  39           HBS      SER  39   4.884  10.588  -1.380
  313    HG   SER  39           HG       SER  39   4.848  11.565  -4.048
  314    H    GLY  40           HN       GLY  40   1.046  11.116  -2.018
  315   1HA   GLY  40           HAR      GLY  40   0.320   9.475   0.381
  316   2HA   GLY  40           HAS      GLY  40  -0.179  11.173   0.158
  317    H    GLY  41           HN       GLY  41  -2.309  10.085   0.519
  318   1HA   GLY  41           HAR      GLY  41  -4.347   9.426  -0.194
  319   2HA   GLY  41           HAS      GLY  41  -3.728   9.943  -1.786
  320    H    HIS  42           HN       HIS  42  -1.760   7.463  -0.818
  321    HA   HIS  42           HA       HIS  42  -3.541   5.311  -1.742
  322   1HB   HIS  42           HBS      HIS  42  -1.573   3.965  -1.998
  323   2HB   HIS  42           HBR      HIS  42  -1.248   5.581  -2.694
  324    HD1  HIS  42           HD1      HIS  42   0.103   3.167  -0.208
  325    HD2  HIS  42           HD2      HIS  42   0.342   7.256  -0.962
  326    HE1  HIS  42           HE1      HIS  42   1.994   4.035   1.189
  327    HE2  HIS  42           HE2      HIS  42   2.196   6.494   0.675
  328    H    ALA  43           HN       ALA  43  -2.457   3.128  -0.565
  329    HA   ALA  43           HA       ALA  43  -1.627   3.406   2.077
  330   1HB   ALA  43           HMB      ALA  43  -4.552   3.037   1.794
  331   2HB   ALA  43           HMB      ALA  43  -3.732   1.973   2.963
  332   3HB   ALA  43           HMB      ALA  43  -3.593   3.742   3.119
  333    H    GLU  44           HN       GLU  44  -1.210   1.329   3.111
  334    HA   GLU  44           HA       GLU  44  -0.584  -0.589   0.922
  335   1HB   GLU  44           HBS      GLU  44   1.391  -0.964   2.057
  336   2HB   GLU  44           HBR      GLU  44   1.239   0.695   1.862
  337   1HG   GLU  44           HGS      GLU  44   1.894   0.704   4.062
  338   2HG   GLU  44           HGR      GLU  44   0.171   0.416   4.426
  339    H    HIS  45           HN       HIS  45  -1.450  -2.517   0.987
  340    HA   HIS  45           HA       HIS  45  -2.339  -3.805   3.480
  341   1HB   HIS  45           HBS      HIS  45  -1.971  -5.101   0.749
  342   2HB   HIS  45           HBR      HIS  45  -2.871  -5.736   2.156
  343    HD1  HIS  45           HD1      HIS  45  -3.075  -2.392   0.224
  344    HD2  HIS  45           HD2      HIS  45  -5.494  -5.295   1.972
  345    HE1  HIS  45           HE1      HIS  45  -5.443  -1.702  -0.228
  346    HE2  HIS  45           HE2      HIS  45  -6.912  -3.450   0.839
  347    H    GLU  46           HN       GLU  46  -1.376  -6.325   3.187
  348    HA   GLU  46           HA       GLU  46   1.059  -6.066   4.546
  349   1HB   GLU  46           HBS      GLU  46  -0.809  -8.013   3.712
  350   2HB   GLU  46           HBR      GLU  46   0.692  -8.674   3.361
  351   1HG   GLU  46           HGR      GLU  46   0.285  -7.413   6.112
  352   2HG   GLU  46           HGS      GLU  46  -0.561  -8.935   5.722
  353    H    GLY  47           HN       GLY  47   2.475  -4.851   3.269
  354   1HA   GLY  47           HAR      GLY  47   4.104  -4.414   1.699
  355   2HA   GLY  47           HAS      GLY  47   4.267  -6.179   1.500
  356    H    LYS  48           HN       LYS  48   1.522  -3.951   0.908
  357    HA   LYS  48           HA       LYS  48   2.061  -3.757  -1.935
  358   1HB   LYS  48           HBR      LYS  48  -0.405  -4.621  -2.341
  359   2HB   LYS  48           HBS      LYS  48   1.000  -5.722  -2.404
  360   1HG   LYS  48           HGR      LYS  48   0.080  -5.637   0.302
  361   2HG   LYS  48           HGS      LYS  48  -1.342  -5.877  -0.753
  362   1HD   LYS  48           HDS      LYS  48   1.173  -7.549  -0.792
  363   2HD   LYS  48           HDR      LYS  48  -0.302  -7.955   0.041
  364   1HE   LYS  48           HER      LYS  48  -0.851  -9.055  -1.788
  365   2HE   LYS  48           HES      LYS  48  -1.255  -7.451  -2.465
  366   1HZ   LYS  48           HZC      LYS  48   1.438  -7.781  -2.797
  367   2HZ   LYS  48           HZA      LYS  48   0.787  -9.219  -3.220
  368   3HZ   LYS  48           HZB      LYS  48   0.289  -7.849  -3.956
  369    HA   PRO  49           HA       PRO  49  -0.218  -0.095  -0.784
  370   1HB   PRO  49           HBR      PRO  49   0.848   1.321  -2.776
  371   2HB   PRO  49           HBS      PRO  49   1.427   1.302  -1.239
  372   1HG   PRO  49           HGS      PRO  49   2.499   0.085  -3.512
  373   2HG   PRO  49           HGR      PRO  49   3.271   0.487  -2.089
  374   1HD   PRO  49           HDS      PRO  49   2.514  -1.996  -2.811
  375   2HD   PRO  49           HDR      PRO  49   3.004  -1.539  -1.299
  376    H    TYR  50           HN       TYR  50  -2.020   0.883  -1.523
  377    HA   TYR  50           HA       TYR  50  -2.710   0.453  -4.321
  378   1HB   TYR  50           HBR      TYR  50  -4.678  -0.356  -2.144
  379   2HB   TYR  50           HBS      TYR  50  -4.977  -0.334  -3.906
  380    HD1  TYR  50           HD2      TYR  50  -2.611  -1.863  -1.431
  381    HD2  TYR  50           HD1      TYR  50  -4.877  -2.397  -4.990
  382    HE1  TYR  50           HE2      TYR  50  -2.105  -4.264  -1.382
  383    HE2  TYR  50           HE1      TYR  50  -4.345  -4.797  -4.976
  384    HH   TYR  50           HH       TYR  50  -3.510  -6.417  -2.281
  385    H    CYS  51           HN       CYS  51  -5.005   1.624  -4.596
  386    HA   CYS  51           HA       CYS  51  -5.136   4.224  -3.709
  387   1HB   CYS  51           HBS      CYS  51  -7.474   2.347  -4.134
  388   2HB   CYS  51           HBR      CYS  51  -7.595   4.117  -3.948
  389    H    ASN  52           HN       ASN  52  -5.333   5.243  -1.896
  390    HA   ASN  52           HA       ASN  52  -6.273   4.116   0.581
  391   1HB   ASN  52           HBS      ASN  52  -4.872   6.291   0.086
  392   2HB   ASN  52           HBR      ASN  52  -6.495   7.034   0.036
  393   1HD2  ASN  52           HD2      ASN  52  -6.020   7.558   3.480
  394   2HD2  ASN  52           HD2      ASN  52  -6.055   8.270   1.902
  395    H    HIS  53           HN       HIS  53  -7.745   5.740  -2.179
  396    HA   HIS  53           HA       HIS  53 -10.106   4.125  -1.707
  397   1HB   HIS  53           HBS      HIS  53 -10.336   7.161  -1.674
  398   2HB   HIS  53           HBR      HIS  53 -11.676   6.094  -2.187
  399    HD1  HIS  53           HD1      HIS  53 -13.186   5.285  -0.313
  400    HD2  HIS  53           HD2      HIS  53  -9.525   6.719   1.061
  401    HE1  HIS  53           HE1      HIS  53 -13.386   5.456   2.179
  402    HE2  HIS  53           HE2      HIS  53 -11.175   6.328   3.016
  403    HA   PRO  54           HA       PRO  54 -12.066   4.306  -2.505
  404   1HB   PRO  54           HBS      PRO  54 -13.457   2.801  -4.227
  405   2HB   PRO  54           HBR      PRO  54 -13.814   4.359  -3.848
  406   1HG   PRO  54           HGR      PRO  54 -12.825   3.365  -6.233
  407   2HG   PRO  54           HGS      PRO  54 -13.345   4.914  -5.898
  408   1HD   PRO  54           HDS      PRO  54 -10.740   4.017  -6.113
  409   2HD   PRO  54           HDR      PRO  54 -11.259   5.570  -5.879
  410    H    CYS  55           HN       CYS  55  -9.907   2.492  -4.270
  411    HA   CYS  55           HA       CYS  55 -11.030   0.017  -4.138
  412   1HB   CYS  55           HBS      CYS  55  -8.068   0.649  -4.183
  413   2HB   CYS  55           HBR      CYS  55  -8.812  -0.918  -4.610
  414    H    TYR  56           HN       TYR  56  -8.714   1.380  -1.788
  415    HA   TYR  56           HA       TYR  56  -8.496  -0.935  -0.146
  416   1HB   TYR  56           HBR      TYR  56  -6.920   0.937  -0.020
  417   2HB   TYR  56           HBS      TYR  56  -8.216   2.004   0.593
  418    HD1  TYR  56           HD1      TYR  56  -9.302   1.335   2.855
  419    HD2  TYR  56           HD2      TYR  56  -5.664  -0.370   1.465
  420    HE1  TYR  56           HE1      TYR  56  -8.760   0.640   5.149
  421    HE2  TYR  56           HE2      TYR  56  -5.095  -1.046   3.754
  422    HH   TYR  56           HH       TYR  56  -6.302  -1.635   5.790
  423    H    SER  57           HN       SER  57 -10.616   1.940   0.044
  424    HA   SER  57           HA       SER  57 -12.035   0.695   2.305
  425   1HB   SER  57           HBS      SER  57 -11.461   3.410   1.425
  426   2HB   SER  57           HBR      SER  57 -13.181   3.179   1.854
  427    HG   SER  57           HG       SER  57 -12.280   3.760   3.703
  428    H    ALA  58           HN       ALA  58 -12.291   0.070  -0.731
  429    HA   ALA  58           HA       ALA  58 -15.258   0.108  -0.743
  430   1HB   ALA  58           HMB      ALA  58 -13.213  -0.480  -2.900
  431   2HB   ALA  58           HMB      ALA  58 -14.981  -0.543  -3.111
  432   3HB   ALA  58           HMB      ALA  58 -14.186   1.001  -2.711
  433    H    MET  59           HN       MET  59 -12.459  -2.075  -1.107
  434    HA   MET  59           HA       MET  59 -14.242  -4.444  -0.955
  435   1HB   MET  59           HBS      MET  59 -11.385  -4.011  -1.774
  436   2HB   MET  59           HBR      MET  59 -11.878  -5.593  -1.118
  437   1HG   MET  59           HGS      MET  59 -13.449  -4.238  -3.351
  438   2HG   MET  59           HGR      MET  59 -11.999  -5.208  -3.695
  439   1HE   MET  59           HME      MET  59 -15.313  -4.915  -3.608
  440   2HE   MET  59           HME      MET  59 -15.830  -6.561  -4.056
  441   3HE   MET  59           HME      MET  59 -16.069  -5.974  -2.391
  442    H    PHE  60           HN       PHE  60 -11.492  -2.818   0.626
  443    HA   PHE  60           HA       PHE  60 -12.401  -3.986   3.207
  444   1HB   PHE  60           HBR      PHE  60  -9.971  -2.201   2.988
  445   2HB   PHE  60           HBS      PHE  60 -10.384  -3.424   4.225
  446    HD1  PHE  60           HD2      PHE  60  -9.742  -3.371   0.475
  447    HD2  PHE  60           HD1      PHE  60  -9.267  -5.323   4.232
  448    HE1  PHE  60           HE2      PHE  60  -8.352  -5.105  -0.608
  449    HE2  PHE  60           HE1      PHE  60  -7.873  -7.048   3.184
  450    HZ   PHE  60           HZ       PHE  60  -7.371  -6.914   0.774
  451    H    GLY  61           HN       GLY  61 -11.544  -1.885   4.821
  452   1HA   GLY  61           HAS      GLY  61 -11.788   0.560   4.836
  453   2HA   GLY  61           HAR      GLY  61 -13.355   0.352   4.004
  454    HA   PRO  62           HA       PRO  62 -13.871  -1.078   8.629
  455   1HB   PRO  62           HBR      PRO  62 -11.718  -0.580  10.145
  456   2HB   PRO  62           HBS      PRO  62 -12.186  -2.072   9.646
  457   1HG   PRO  62           HGS      PRO  62 -10.053  -0.530   8.726
  458   2HG   PRO  62           HGR      PRO  62 -10.283  -2.176   8.580
  459   1HD   PRO  62           HDS      PRO  62 -10.612  -0.375   6.607
  460   2HD   PRO  62           HDR      PRO  62 -11.133  -1.943   6.573
  461    H    LYS  63           HN       LYS  63 -14.072   0.116  10.740
  462    HA   LYS  63           HA       LYS  63 -13.833   3.044  10.204
  463   1HB   LYS  63           HBR      LYS  63 -16.024   1.457  11.366
  464   2HB   LYS  63           HBS      LYS  63 -15.502   2.837  12.375
  465   1HG   LYS  63           HGR      LYS  63 -16.521   2.902   9.513
  466   2HG   LYS  63           HGS      LYS  63 -17.288   3.601  10.968
  467   1HD   LYS  63           HDS      LYS  63 -15.065   4.964  11.135
  468   2HD   LYS  63           HDR      LYS  63 -14.889   4.538   9.454
  469   1HE   LYS  63           HES      LYS  63 -17.562   5.516  10.001
  470   2HE   LYS  63           HER      LYS  63 -16.292   6.680  10.468
  471   1HZ   LYS  63           HZB      LYS  63 -16.448   5.368   7.844
  472   2HZ   LYS  63           HZC      LYS  63 -17.009   6.869   8.155
  473   3HZ   LYS  63           HZA      LYS  63 -15.412   6.551   8.286
  474    H    GLY  64           HN       GLY  64 -13.296   0.313  12.351
  475   1HA   GLY  64           HAR      GLY  64 -11.690   1.996  14.208
  476   2HA   GLY  64           HAS      GLY  64 -12.126   0.283  14.450
  477    H    PHE  65           HN       PHE  65  -9.650   2.309  13.707
  478    HA   PHE  65           HA       PHE  65  -8.503   1.305  11.375
  479   1HB   PHE  65           HBR      PHE  65  -7.808   3.421  12.648
  480   2HB   PHE  65           HBS      PHE  65  -6.817   2.348  13.677
  481    HD1  PHE  65           HD2      PHE  65  -7.362   2.007   9.964
  482    HD2  PHE  65           HD1      PHE  65  -4.706   2.947  13.161
  483    HE1  PHE  65           HE2      PHE  65  -5.482   2.125   8.359
  484    HE2  PHE  65           HE1      PHE  65  -2.827   3.073  11.591
  485    HZ   PHE  65           HZ       PHE  65  -3.221   2.722   9.181
  486    H    GLY  66           HN       GLY  66  -7.271  -0.354  10.834
  487   1HA   GLY  66           HAR      GLY  66  -6.312  -2.451  10.939
  488   2HA   GLY  66           HAS      GLY  66  -5.857  -2.112  12.631
  489    H    ARG  67           HN       ARG  67  -6.535  -4.557  12.402
  490    HA   ARG  67           HA       ARG  67  -9.215  -4.650  13.671
  491   1HB   ARG  67           HBS      ARG  67  -8.783  -5.847  11.247
  492   2HB   ARG  67           HBR      ARG  67  -8.355  -7.161  12.381
  493   1HG   ARG  67           HGS      ARG  67 -10.823  -5.865  13.185
  494   2HG   ARG  67           HGR      ARG  67 -10.918  -6.424  11.490
  495   1HD   ARG  67           HDS      ARG  67 -11.652  -8.074  13.218
  496   2HD   ARG  67           HDR      ARG  67 -10.382  -8.639  12.095
  497    HE   ARG  67           HE       ARG  67  -9.397  -7.534  14.611
  498   1HH1  ARG  67           HH1      ARG  67 -10.704 -10.441  13.103
  499   2HH1  ARG  67           HH1      ARG  67  -9.757 -11.507  14.086
  500   1HH2  ARG  67           HH2      ARG  67  -8.081  -8.955  15.787
  501   2HH2  ARG  67           HH2      ARG  67  -8.274 -10.667  15.606
  502    H    GLY  68           HN       GLY  68  -8.727  -4.872  15.727
  503   1HA   GLY  68           HAS      GLY  68  -6.803  -6.957  16.606
  504   2HA   GLY  68           HAR      GLY  68  -6.477  -5.252  17.019
  505    H    GLY  69           HN       GLY  69  -7.453  -7.913  18.409
  506   1HA   GLY  69           HAR      GLY  69  -9.715  -6.699  19.944
  507   2HA   GLY  69           HAS      GLY  69  -9.725  -8.387  19.368
  508    H    ALA  70           HN       ALA  70  -8.863  -6.261  21.872
  509    HA   ALA  70           HA       ALA  70  -7.197  -8.295  23.257
  510   1HB   ALA  70           HMB      ALA  70  -6.819  -5.671  23.215
  511   2HB   ALA  70           HMB      ALA  70  -8.014  -5.726  24.535
  512   3HB   ALA  70           HMB      ALA  70  -6.498  -6.653  24.667
  513    H    GLU  71           HN       GLU  71  -9.772  -6.086  24.371
  514    HA   GLU  71           HA       GLU  71 -11.806  -6.429  25.373
  515   1HB   GLU  71           HBS      GLU  71 -12.248  -7.394  23.298
  516   2HB   GLU  71           HBR      GLU  71 -11.449  -8.838  23.606
  517   1HG   GLU  71           HGR      GLU  71 -13.322  -9.708  24.874
  518   2HG   GLU  71           HGS      GLU  71 -13.683  -8.053  25.439
  519    H    SER  72           HN       SER  72 -11.594  -6.557  27.492
  520    HA   SER  72           HA       SER  72 -11.981  -9.132  28.755
  521   1HB   SER  72           HBR      SER  72  -9.569  -9.245  28.453
  522   2HB   SER  72           HBS      SER  72  -9.383  -7.658  29.254
  523    HG   SER  72           HG       SER  72 -10.374 -10.183  30.279
  524    H    HIS  73           HN       HIS  73 -13.278  -6.533  28.471
  525    HA   HIS  73           HA       HIS  73 -14.166  -6.250  31.207
  526   1HB   HIS  73           HBS      HIS  73 -13.569  -3.759  31.293
  527   2HB   HIS  73           HBR      HIS  73 -12.265  -4.926  31.654
  528    HD1  HIS  73           HD1      HIS  73 -10.565  -5.389  29.511
  529    HD2  HIS  73           HD2      HIS  73 -12.959  -1.985  29.359
  530    HE1  HIS  73           HE1      HIS  73  -9.466  -3.826  27.889
  531    HE2  HIS  73           HE2      HIS  73 -10.899  -1.754  27.810
  532    H    THR  74           HN       THR  74 -16.237  -6.220  30.763
  533    HA   THR  74           HA       THR  74 -17.211  -4.071  28.949
  534    HB   THR  74           HB       THR  74 -19.403  -5.727  29.122
  535    HG1  THR  74           HG1      THR  74 -18.803  -7.614  28.845
  536   1HG2  THR  74           HMG      THR  74 -17.200  -5.739  27.058
  537   2HG2  THR  74           HMG      THR  74 -18.696  -6.689  26.872
  538   3HG2  THR  74           HMG      THR  74 -18.778  -4.913  27.001
  539    H    PHE  75           HN       PHE  75 -18.306  -6.190  31.629
  540    HA   PHE  75           HA       PHE  75 -18.215  -4.337  33.625
  541   1HB   PHE  75           HBR      PHE  75 -20.848  -3.958  33.863
  542   2HB   PHE  75           HBS      PHE  75 -19.792  -2.797  33.007
  543    HD1  PHE  75           HD2      PHE  75 -20.928  -6.107  31.627
  544    HD2  PHE  75           HD1      PHE  75 -21.262  -1.858  31.557
  545    HE1  PHE  75           HE2      PHE  75 -22.361  -6.259  29.618
  546    HE2  PHE  75           HE1      PHE  75 -22.671  -1.983  29.552
  547    HZ   PHE  75           HZ       PHE  75 -23.274  -4.182  28.616
  548    H    LYS  76           HN       LYS  76 -17.690  -6.090  34.796
  549    HA   LYS  76           HA       LYS  76 -20.021  -7.627  35.772
  550   1HB   LYS  76           HBR      LYS  76 -18.402  -8.980  34.184
  551   2HB   LYS  76           HBS      LYS  76 -17.370  -9.022  35.642
  552   1HG   LYS  76           HGR      LYS  76 -20.241 -10.017  35.457
  553   2HG   LYS  76           HGS      LYS  76 -18.774 -11.037  35.463
  554   1HD   LYS  76           HDS      LYS  76 -18.333  -9.658  37.710
  555   2HD   LYS  76           HDR      LYS  76 -20.070  -9.538  37.668
  556   1HE   LYS  76           HES      LYS  76 -20.194 -11.525  38.613
  557   2HE   LYS  76           HER      LYS  76 -19.565 -12.207  37.086
  558   1HZ   LYS  76           HZB      LYS  76 -17.358 -11.345  38.304
  559   2HZ   LYS  76           HZC      LYS  76 -18.242 -11.835  39.587
  560   3HZ   LYS  76           HZA      LYS  76 -17.914 -12.880  38.376
   
  No H/Q in entry =         560
  Start of MODEL   18
    1    H    PRO   1           HN       PRO   1  16.022   4.439   3.483
    2    HA   PRO   1           HA       PRO   1  15.806   2.533   4.925
    3   1HB   PRO   1           HBS      PRO   1  12.993   2.745   5.039
    4   2HB   PRO   1           HBR      PRO   1  14.028   2.338   6.247
    5   1HG   PRO   1           HGS      PRO   1  12.790   4.678   5.994
    6   2HG   PRO   1           HGR      PRO   1  14.112   4.409   6.976
    7   1HD   PRO   1           HDS      PRO   1  14.012   5.887   4.637
    8   2HD   PRO   1           HDR      PRO   1  15.286   5.725   5.679
    9    H    LYS   2           HN       LYS   2  13.583   0.833   4.452
   10    HA   LYS   2           HA       LYS   2  14.357   0.175   1.650
   11   1HB   LYS   2           HBR      LYS   2  13.893  -2.220   2.526
   12   2HB   LYS   2           HBS      LYS   2  15.429  -1.410   2.940
   13   1HG   LYS   2           HGR      LYS   2  14.281  -0.717   5.131
   14   2HG   LYS   2           HGS      LYS   2  13.018  -1.908   4.709
   15   1HD   LYS   2           HDS      LYS   2  15.952  -2.450   5.167
   16   2HD   LYS   2           HDR      LYS   2  14.626  -2.842   6.227
   17   1HE   LYS   2           HES      LYS   2  14.845  -4.862   5.258
   18   2HE   LYS   2           HER      LYS   2  13.734  -4.108   4.080
   19   1HZ   LYS   2           HZA      LYS   2  16.592  -3.804   3.687
   20   2HZ   LYS   2           HZB      LYS   2  15.915  -5.244   3.320
   21   3HZ   LYS   2           HZC      LYS   2  15.393  -3.884   2.582
   22    H    CYS   3           HN       CYS   3  12.896  -1.073   0.410
   23    HA   CYS   3           HA       CYS   3  10.363   0.142   0.577
   24   1HB   CYS   3           HBS      CYS   3  11.789  -0.239  -1.440
   25   2HB   CYS   3           HBR      CYS   3  11.307  -1.957  -1.378
   26    HA   PRO   4           HA       PRO   4   8.043  -3.176   2.481
   27   1HB   PRO   4           HBR      PRO   4   5.756  -1.697   2.136
   28   2HB   PRO   4           HBS      PRO   4   6.544  -1.974   3.549
   29   1HG   PRO   4           HGS      PRO   4   6.353   0.385   2.334
   30   2HG   PRO   4           HGR      PRO   4   7.430   0.023   3.560
   31   1HD   PRO   4           HDS      PRO   4   7.910   0.181   0.769
   32   2HD   PRO   4           HDR      PRO   4   8.969   0.449   2.014
   33    H    LYS   5           HN       LYS   5   7.937  -1.878  -0.572
   34    HA   LYS   5           HA       LYS   5   5.681  -3.517  -1.530
   35   1HB   LYS   5           HBR      LYS   5   6.731  -1.102  -2.356
   36   2HB   LYS   5           HBS      LYS   5   7.421  -2.258  -3.532
   37   1HG   LYS   5           HGR      LYS   5   4.459  -2.153  -2.871
   38   2HG   LYS   5           HGS      LYS   5   5.200  -1.169  -4.167
   39   1HD   LYS   5           HDR      LYS   5   4.705  -2.859  -5.471
   40   2HD   LYS   5           HDS      LYS   5   6.181  -3.552  -4.856
   41   1HE   LYS   5           HER      LYS   5   4.294  -4.308  -2.984
   42   2HE   LYS   5           HES      LYS   5   3.406  -4.398  -4.532
   43   1HZ   LYS   5           HZC      LYS   5   6.062  -5.533  -4.459
   44   2HZ   LYS   5           HZA      LYS   5   4.898  -6.345  -3.650
   45   3HZ   LYS   5           HZB      LYS   5   4.726  -6.047  -5.246
   46    H    CYS   6           HN       CYS   6   8.997  -3.016  -2.780
   47    HA   CYS   6           HA       CYS   6   8.755  -5.668  -3.988
   48   1HB   CYS   6           HBS      CYS   6  10.615  -4.988  -5.403
   49   2HB   CYS   6           HBR      CYS   6   9.256  -3.834  -5.435
   50    H    ASP   7           HN       ASP   7  10.337  -4.249  -1.321
   51    HA   ASP   7           HA       ASP   7  11.967  -4.907   0.103
   52   1HB   ASP   7           HBS      ASP   7  10.781  -7.217  -0.448
   53   2HB   ASP   7           HBR      ASP   7  12.393  -7.565  -1.137
   54    H    LYS   8           HN       LYS   8  12.817  -3.199  -1.509
   55    HA   LYS   8           HA       LYS   8  15.586  -4.174  -1.984
   56   1HB   LYS   8           HBR      LYS   8  14.079  -3.102  -4.005
   57   2HB   LYS   8           HBS      LYS   8  14.860  -1.648  -3.323
   58   1HG   LYS   8           HGR      LYS   8  17.032  -3.183  -3.475
   59   2HG   LYS   8           HGS      LYS   8  16.068  -4.001  -4.738
   60   1HD   LYS   8           HDR      LYS   8  16.607  -1.044  -4.671
   61   2HD   LYS   8           HDS      LYS   8  17.632  -2.178  -5.508
   62   1HE   LYS   8           HES      LYS   8  14.774  -1.417  -6.076
   63   2HE   LYS   8           HER      LYS   8  16.207  -1.310  -7.137
   64   1HZ   LYS   8           HZB      LYS   8  16.224  -3.813  -6.919
   65   2HZ   LYS   8           HZC      LYS   8  14.692  -3.689  -6.366
   66   3HZ   LYS   8           HZA      LYS   8  15.067  -3.155  -7.864
   67    H    GLU   9           HN       GLU   9  16.856  -1.794  -2.124
   68    HA   GLU   9           HA       GLU   9  15.979  -0.251   0.284
   69   1HB   GLU   9           HBS      GLU   9  18.360   0.758  -0.340
   70   2HB   GLU   9           HBR      GLU   9  18.078  -0.319   0.907
   71   1HG   GLU   9           HGS      GLU   9  18.810  -1.140  -1.932
   72   2HG   GLU   9           HGR      GLU   9  20.082  -0.827  -0.723
   73    H    VAL  10           HN       VAL  10  15.810   1.955   0.124
   74    HA   VAL  10           HA       VAL  10  15.074   2.719  -2.639
   75    HB   VAL  10           HB       VAL  10  13.948   3.417   0.075
   76   1HG1  VAL  10           HMG      VAL  10  13.975   5.370  -1.645
   77   2HG1  VAL  10           HMG      VAL  10  12.692   4.440  -2.455
   78   3HG1  VAL  10           HMG      VAL  10  12.474   4.978  -0.772
   79   1HG2  VAL  10           HMG      VAL  10  13.470   1.264  -1.498
   80   2HG2  VAL  10           HMG      VAL  10  12.318   1.953  -0.333
   81   3HG2  VAL  10           HMG      VAL  10  12.199   2.388  -2.053
   82    H    TYR  11           HN       TYR  11  16.186   4.170  -3.652
   83    HA   TYR  11           HA       TYR  11  18.247   5.738  -2.236
   84   1HB   TYR  11           HBR      TYR  11  17.579   5.232  -5.143
   85   2HB   TYR  11           HBS      TYR  11  18.648   6.576  -4.648
   86    HD1  TYR  11           HD2      TYR  11  18.361   3.071  -3.370
   87    HD2  TYR  11           HD1      TYR  11  20.823   5.944  -5.311
   88    HE1  TYR  11           HE2      TYR  11  20.255   1.515  -3.249
   89    HE2  TYR  11           HE1      TYR  11  22.721   4.386  -5.221
   90    HH   TYR  11           HH       TYR  11  23.450   2.603  -3.643
   91    H    PHE  12           HN       PHE  12  18.383   8.045  -2.628
   92    HA   PHE  12           HA       PHE  12  16.226   9.092  -1.354
   93   1HB   PHE  12           HBS      PHE  12  17.946  10.987  -2.969
   94   2HB   PHE  12           HBR      PHE  12  17.240  11.197  -1.341
   95    HD1  PHE  12           HD2      PHE  12  18.237   9.592   0.543
   96    HD2  PHE  12           HD1      PHE  12  20.077  10.407  -3.213
   97    HE1  PHE  12           HE2      PHE  12  20.402   8.803   1.439
   98    HE2  PHE  12           HE1      PHE  12  22.236   9.625  -2.349
   99    HZ   PHE  12           HZ       PHE  12  22.389   8.765  -0.043
  100    H    ALA  13           HN       ALA  13  17.129  10.441  -4.539
  101    HA   ALA  13           HA       ALA  13  14.696  11.526  -5.010
  102   1HB   ALA  13           HMB      ALA  13  17.026  11.732  -6.204
  103   2HB   ALA  13           HMB      ALA  13  16.331  10.549  -7.341
  104   3HB   ALA  13           HMB      ALA  13  15.538  12.127  -7.102
  105    H    GLU  14           HN       GLU  14  15.261   8.250  -5.079
  106    HA   GLU  14           HA       GLU  14  12.867   7.747  -6.801
  107   1HB   GLU  14           HBS      GLU  14  14.945   5.874  -5.752
  108   2HB   GLU  14           HBR      GLU  14  13.665   5.396  -6.727
  109   1HG   GLU  14           HGS      GLU  14  15.080   7.574  -7.998
  110   2HG   GLU  14           HGR      GLU  14  16.303   6.371  -7.507
  111    H    ARG  15           HN       ARG  15  12.887   8.905  -4.127
  112    HA   ARG  15           HA       ARG  15  11.734   6.706  -2.544
  113   1HB   ARG  15           HBR      ARG  15  11.947   8.116  -0.649
  114   2HB   ARG  15           HBS      ARG  15  13.463   8.235  -1.584
  115   1HG   ARG  15           HGS      ARG  15  12.301  10.377  -2.594
  116   2HG   ARG  15           HGR      ARG  15  11.340  10.297  -1.090
  117   1HD   ARG  15           HDR      ARG  15  13.005  11.133   0.080
  118   2HD   ARG  15           HDS      ARG  15  14.111   9.861  -0.509
  119    HE   ARG  15           HE       ARG  15  15.107  11.525  -1.728
  120   1HH1  ARG  15           HH1      ARG  15  11.730  12.431  -1.270
  121   2HH1  ARG  15           HH1      ARG  15  11.835  13.786  -2.342
  122   1HH2  ARG  15           HH2      ARG  15  15.172  13.233  -3.217
  123   2HH2  ARG  15           HH2      ARG  15  13.782  14.241  -3.444
  124    H    VAL  16           HN       VAL  16   9.731   6.731  -1.612
  125    HA   VAL  16           HA       VAL  16   8.230   9.201  -1.645
  126    HB   VAL  16           HB       VAL  16   6.128   8.321  -2.382
  127   1HG1  VAL  16           HMG      VAL  16   7.775   9.234  -4.071
  128   2HG1  VAL  16           HMG      VAL  16   8.107   7.547  -4.530
  129   3HG1  VAL  16           HMG      VAL  16   6.467   8.214  -4.715
  130   1HG2  VAL  16           HMG      VAL  16   6.467   5.983  -1.639
  131   2HG2  VAL  16           HMG      VAL  16   5.780   6.123  -3.275
  132   3HG2  VAL  16           HMG      VAL  16   7.499   5.713  -3.063
  133    H    THR  17           HN       THR  17   6.871   9.394   0.112
  134    HA   THR  17           HA       THR  17   7.634   7.476   2.250
  135    HB   THR  17           HB       THR  17   6.892  10.393   2.756
  136    HG1  THR  17           HG1      THR  17   8.616  10.998   2.294
  137   1HG2  THR  17           HMG      THR  17   7.751   8.279   4.401
  138   2HG2  THR  17           HMG      THR  17   9.143   9.380   4.245
  139   3HG2  THR  17           HMG      THR  17   7.579  10.001   4.830
  140    H    SER  18           HN       SER  18   6.203   6.794   3.744
  141    HA   SER  18           HA       SER  18   3.488   7.579   4.005
  142   1HB   SER  18           HBR      SER  18   3.312   6.876   1.663
  143   2HB   SER  18           HBS      SER  18   3.937   5.261   2.107
  144    HG   SER  18           HG       SER  18   1.558   6.632   3.066
  145    H    LEU  19           HN       LEU  19   2.597   6.597   5.694
  146    HA   LEU  19           HA       LEU  19   2.629   5.567   7.734
  147   1HB   LEU  19           HBR      LEU  19   3.765   3.398   5.950
  148   2HB   LEU  19           HBS      LEU  19   3.289   3.146   7.653
  149    HG   LEU  19           HG       LEU  19   1.533   2.315   6.300
  150   1HD1  LEU  19           HMD      LEU  19   0.961   3.853   8.260
  151   2HD1  LEU  19           HMD      LEU  19   0.604   5.098   7.036
  152   3HD1  LEU  19           HMD      LEU  19  -0.318   3.573   7.052
  153   1HD2  LEU  19           HMD      LEU  19   2.451   4.107   4.442
  154   2HD2  LEU  19           HMD      LEU  19   0.936   3.178   4.309
  155   3HD2  LEU  19           HMD      LEU  19   0.906   4.848   4.929
  156    H    GLY  20           HN       GLY  20   5.072   7.043   6.602
  157   1HA   GLY  20           HAS      GLY  20   6.707   8.013   7.967
  158   2HA   GLY  20           HAR      GLY  20   6.605   6.614   9.068
  159    H    LYS  21           HN       LYS  21   6.763   4.945   6.420
  160    HA   LYS  21           HA       LYS  21   9.744   4.921   6.363
  161   1HB   LYS  21           HBS      LYS  21   7.770   2.653   6.414
  162   2HB   LYS  21           HBR      LYS  21   9.302   2.483   5.512
  163   1HG   LYS  21           HGS      LYS  21   9.032   3.140   8.472
  164   2HG   LYS  21           HGR      LYS  21   9.478   1.552   7.784
  165   1HD   LYS  21           HDR      LYS  21  11.551   2.260   8.123
  166   2HD   LYS  21           HDS      LYS  21  11.337   3.098   6.612
  167   1HE   LYS  21           HES      LYS  21  12.307   4.382   8.615
  168   2HE   LYS  21           HER      LYS  21  11.019   5.155   7.650
  169   1HZ   LYS  21           HZA      LYS  21  10.329   3.587  10.005
  170   2HZ   LYS  21           HZB      LYS  21  10.850   5.125  10.184
  171   3HZ   LYS  21           HZC      LYS  21   9.509   4.813   9.306
  172    H    ASP  22           HN       ASP  22  10.647   4.321   4.321
  173    HA   ASP  22           HA       ASP  22   9.206   5.829   2.328
  174   1HB   ASP  22           HBS      ASP  22  12.016   4.813   2.041
  175   2HB   ASP  22           HBR      ASP  22  11.251   6.265   1.333
  176    H    TRP  23           HN       TRP  23   9.471   5.285  -0.010
  177    HA   TRP  23           HA       TRP  23   9.566   2.374  -0.602
  178   1HB   TRP  23           HBR      TRP  23   7.458   4.328  -1.535
  179   2HB   TRP  23           HBS      TRP  23   7.500   2.555  -1.794
  180    HD1  TRP  23           HD1      TRP  23   6.960   5.187   0.985
  181    HE1  TRP  23           HE1      TRP  23   5.289   4.226   2.689
  182    HE3  TRP  23           HE3      TRP  23   6.392   0.564  -1.054
  183    HZ2  TRP  23           HZ2      TRP  23   3.764   1.887   2.961
  184    HZ3  TRP  23           HZ3      TRP  23   4.807  -0.990  -0.015
  185    HH2  TRP  23           HH2      TRP  23   3.452  -0.322   1.899
  186    H    HIS  24           HN       ZHI  24   9.335   2.126  -3.091
  187    HA   HIS  24           HA       ZHI  24  10.979   4.131  -4.469
  188   1HB   HIS  24           HBS      ZHI  24   9.839   1.508  -5.534
  189   2HB   HIS  24           HBR      ZHI  24  10.994   2.583  -6.372
  190    HD2  HIS  24           HD2      ZHI  24  13.235   3.067  -4.231
  191    HE1  HIS  24           HE1      ZHI  24  12.958  -0.882  -2.889
  192    HE2  HIS  24           HE2      ZHI  24  14.504   1.090  -3.148
  193    H    ARG  25           HN       ARG  25  10.394   5.226  -6.316
  194    HA   ARG  25           HA       ARG  25   7.863   6.476  -6.049
  195   1HB   ARG  25           HBR      ARG  25   9.835   7.622  -6.976
  196   2HB   ARG  25           HBS      ARG  25   9.785   6.547  -8.403
  197   1HG   ARG  25           HGS      ARG  25   8.845   8.766  -8.882
  198   2HG   ARG  25           HGR      ARG  25   7.624   7.473  -9.054
  199   1HD   ARG  25           HDS      ARG  25   6.560   8.053  -7.067
  200   2HD   ARG  25           HDR      ARG  25   7.951   9.016  -6.498
  201    HE   ARG  25           HE       ARG  25   7.204  10.811  -7.769
  202   1HH1  ARG  25           HH1      ARG  25   5.565   7.901  -8.895
  203   2HH1  ARG  25           HH1      ARG  25   4.327   8.785  -9.720
  204   1HH2  ARG  25           HH2      ARG  25   5.496  11.932  -8.750
  205   2HH2  ARG  25           HH2      ARG  25   4.288  11.067  -9.641
  206    HA   PRO  26           HA       PRO  26   6.765   3.892  -9.999
  207   1HB   PRO  26           HBS      PRO  26   8.258   1.654 -10.217
  208   2HB   PRO  26           HBR      PRO  26   8.344   2.956 -11.216
  209   1HG   PRO  26           HGS      PRO  26  10.114   2.162  -9.208
  210   2HG   PRO  26           HGR      PRO  26  10.396   3.204 -10.479
  211   1HD   PRO  26           HDS      PRO  26  10.069   3.957  -7.933
  212   2HD   PRO  26           HDR      PRO  26   9.951   4.962  -9.240
  213    H    CYS  27           HN       CYS  27   7.776   2.438  -7.089
  214    HA   CYS  27           HA       CYS  27   6.211   0.089  -7.364
  215   1HB   CYS  27           HBS      CYS  27   7.801   1.381  -5.203
  216   2HB   CYS  27           HBR      CYS  27   6.599   0.146  -4.730
  217    H    LEU  28           HN       LEU  28   5.648   3.162  -5.669
  218    HA   LEU  28           HA       LEU  28   3.475   2.226  -4.110
  219   1HB   LEU  28           HBS      LEU  28   5.065   4.187  -3.779
  220   2HB   LEU  28           HBR      LEU  28   4.020   5.091  -4.912
  221    HG   LEU  28           HG       LEU  28   2.123   4.421  -3.239
  222   1HD1  LEU  28           HMD      LEU  28   4.456   3.421  -1.915
  223   2HD1  LEU  28           HMD      LEU  28   3.824   4.804  -0.986
  224   3HD1  LEU  28           HMD      LEU  28   2.766   3.420  -1.357
  225   1HD2  LEU  28           HMD      LEU  28   4.021   6.599  -3.500
  226   2HD2  LEU  28           HMD      LEU  28   2.272   6.646  -3.162
  227   3HD2  LEU  28           HMD      LEU  28   3.432   6.461  -1.823
  228    H    LYS  29           HN       LYS  29   2.295   1.076  -5.787
  229    HA   LYS  29           HA       LYS  29   0.426   2.865  -7.272
  230   1HB   LYS  29           HBR      LYS  29   1.877   0.379  -8.218
  231   2HB   LYS  29           HBS      LYS  29   0.419   1.033  -9.020
  232   1HG   LYS  29           HGR      LYS  29   2.138   3.235  -8.767
  233   2HG   LYS  29           HGS      LYS  29   3.204   1.877  -9.227
  234   1HD   LYS  29           HDR      LYS  29   0.709   2.736 -10.674
  235   2HD   LYS  29           HDS      LYS  29   2.331   3.163 -11.147
  236   1HE   LYS  29           HER      LYS  29   2.534   0.457 -10.969
  237   2HE   LYS  29           HES      LYS  29   0.834   0.649 -11.481
  238   1HZ   LYS  29           HZA      LYS  29   1.845   2.223 -13.187
  239   2HZ   LYS  29           HZB      LYS  29   3.262   1.477 -12.868
  240   3HZ   LYS  29           HZC      LYS  29   1.996   0.616 -13.436
  241    H    CYS  30           HN       CYS  30  -1.659   2.199  -7.446
  242    HA   CYS  30           HA       CYS  30  -2.808   0.309  -5.644
  243   1HB   CYS  30           HBS      CYS  30  -3.904   2.261  -6.908
  244   2HB   CYS  30           HBR      CYS  30  -4.055   1.099  -8.258
  245    H    GLU  31           HN       GLU  31  -2.728  -1.793  -5.660
  246    HA   GLU  31           HA       GLU  31  -2.285  -3.271  -8.176
  247   1HB   GLU  31           HBS      GLU  31  -2.573  -4.047  -5.304
  248   2HB   GLU  31           HBR      GLU  31  -2.272  -5.181  -6.504
  249   1HG   GLU  31           HGR      GLU  31  -0.439  -3.080  -5.284
  250   2HG   GLU  31           HGS      GLU  31  -0.125  -4.792  -5.680
  251    H    LYS  32           HN       LYS  32  -4.825  -1.772  -7.456
  252    HA   LYS  32           HA       LYS  32  -6.599  -4.052  -8.202
  253   1HB   LYS  32           HBR      LYS  32  -7.380  -1.382  -6.983
  254   2HB   LYS  32           HBS      LYS  32  -8.509  -2.619  -7.603
  255   1HG   LYS  32           HGR      LYS  32  -6.653  -2.827  -5.207
  256   2HG   LYS  32           HGS      LYS  32  -8.440  -2.835  -5.217
  257   1HD   LYS  32           HDS      LYS  32  -6.600  -4.978  -6.279
  258   2HD   LYS  32           HDR      LYS  32  -7.568  -5.034  -4.831
  259   1HE   LYS  32           HER      LYS  32  -9.280  -5.833  -5.928
  260   2HE   LYS  32           HES      LYS  32  -9.304  -4.403  -6.999
  261   1HZ   LYS  32           HZC      LYS  32  -7.647  -5.509  -8.350
  262   2HZ   LYS  32           HZA      LYS  32  -7.688  -6.828  -7.388
  263   3HZ   LYS  32           HZB      LYS  32  -9.009  -6.403  -8.250
  264    H    CYS  33           HN       CYS  33  -6.418  -0.487  -8.582
  265    HA   CYS  33           HA       CYS  33  -7.433  -0.872 -11.289
  266   1HB   CYS  33           HBS      CYS  33  -8.030   1.436 -11.261
  267   2HB   CYS  33           HBR      CYS  33  -8.562   0.624  -9.763
  268    H    GLY  34           HN       GLY  34  -4.410  -0.310  -9.849
  269   1HA   GLY  34           HAR      GLY  34  -2.323  -0.105 -10.786
  270   2HA   GLY  34           HAS      GLY  34  -3.106  -0.284 -12.378
  271    H    LYS  35           HN       LYS  35  -3.797   2.222  -9.960
  272    HA   LYS  35           HA       LYS  35  -2.619   4.255 -11.792
  273   1HB   LYS  35           HBR      LYS  35  -4.918   4.376  -9.822
  274   2HB   LYS  35           HBS      LYS  35  -4.156   5.825 -10.536
  275   1HG   LYS  35           HGS      LYS  35  -5.642   3.607 -11.990
  276   2HG   LYS  35           HGR      LYS  35  -6.140   5.312 -11.802
  277   1HD   LYS  35           HDR      LYS  35  -4.256   6.012 -13.152
  278   2HD   LYS  35           HDS      LYS  35  -3.653   4.380 -13.260
  279   1HE   LYS  35           HER      LYS  35  -5.329   3.716 -14.713
  280   2HE   LYS  35           HES      LYS  35  -6.423   5.038 -14.220
  281   1HZ   LYS  35           HZA      LYS  35  -4.462   6.433 -15.195
  282   2HZ   LYS  35           HZB      LYS  35  -4.206   5.084 -16.079
  283   3HZ   LYS  35           HZC      LYS  35  -5.649   5.848 -16.153
  284    H    THR  36           HN       THR  36  -1.075   5.553 -11.108
  285    HA   THR  36           HA       THR  36   0.447   4.813  -8.842
  286    HB   THR  36           HB       THR  36   0.588   7.403 -10.490
  287    HG1  THR  36           HG1      THR  36   1.899   5.022 -10.505
  288   1HG2  THR  36           HMG      THR  36   2.429   6.234  -8.435
  289   2HG2  THR  36           HMG      THR  36   3.103   7.135  -9.818
  290   3HG2  THR  36           HMG      THR  36   1.945   7.926  -8.717
  291    H    LEU  37           HN       LEU  37   0.909   5.888  -6.931
  292    HA   LEU  37           HA       LEU  37  -1.510   7.233  -5.884
  293   1HB   LEU  37           HBS      LEU  37   0.632   5.560  -4.534
  294   2HB   LEU  37           HBR      LEU  37  -0.873   6.167  -3.786
  295    HG   LEU  37           HG       LEU  37  -0.771   4.204  -6.088
  296   1HD1  LEU  37           HMD      LEU  37  -0.889   3.841  -3.096
  297   2HD1  LEU  37           HMD      LEU  37  -1.636   2.658  -4.199
  298   3HD1  LEU  37           HMD      LEU  37   0.112   2.987  -4.298
  299   1HD2  LEU  37           HMD      LEU  37  -2.888   5.522  -4.421
  300   2HD2  LEU  37           HMD      LEU  37  -2.844   5.212  -6.175
  301   3HD2  LEU  37           HMD      LEU  37  -3.164   3.875  -5.042
  302    H    THR  38           HN       THR  38  -1.465   9.159  -4.985
  303    HA   THR  38           HA       THR  38   1.045  10.696  -5.204
  304    HB   THR  38           HB       THR  38  -1.180  11.575  -6.135
  305    HG1  THR  38           HG1      THR  38  -0.390  13.187  -5.991
  306   1HG2  THR  38           HMG      THR  38  -2.458  10.930  -3.957
  307   2HG2  THR  38           HMG      THR  38  -1.826  12.480  -3.345
  308   3HG2  THR  38           HMG      THR  38  -2.855  12.448  -4.799
  309    H    SER  39           HN       SER  39   0.682  12.615  -3.332
  310    HA   SER  39           HA       SER  39   1.766  11.112  -1.096
  311   1HB   SER  39           HBR      SER  39   2.770  13.170  -2.353
  312   2HB   SER  39           HBS      SER  39   1.731  14.107  -1.240
  313    HG   SER  39           HG       SER  39   2.659  13.281   0.543
  314    H    GLY  40           HN       GLY  40  -1.093  11.039  -1.331
  315   1HA   GLY  40           HAR      GLY  40  -1.690  10.486   1.119
  316   2HA   GLY  40           HAS      GLY  40  -1.906  12.253   1.264
  317    H    GLY  41           HN       GLY  41  -2.712   9.891  -1.310
  318   1HA   GLY  41           HAR      GLY  41  -5.574  10.080  -0.483
  319   2HA   GLY  41           HAS      GLY  41  -5.131  10.200  -2.206
  320    H    HIS  42           HN       HIS  42  -2.899   8.172  -0.815
  321    HA   HIS  42           HA       HIS  42  -4.461   5.783  -1.521
  322   1HB   HIS  42           HBS      HIS  42  -2.391   4.680  -1.915
  323   2HB   HIS  42           HBR      HIS  42  -2.290   6.299  -2.666
  324    HD1  HIS  42           HD1      HIS  42  -1.116   4.568   0.580
  325    HD2  HIS  42           HD2      HIS  42   0.026   7.471  -2.174
  326    HE1  HIS  42           HE1      HIS  42   1.235   5.210   1.163
  327    HE2  HIS  42           HE2      HIS  42   1.894   7.045  -0.432
  328    H    ALA  43           HN       ALA  43  -2.935   3.836  -0.402
  329    HA   ALA  43           HA       ALA  43  -2.680   4.266   2.447
  330   1HB   ALA  43           HMB      ALA  43  -5.056   2.931   1.422
  331   2HB   ALA  43           HMB      ALA  43  -4.094   1.881   2.493
  332   3HB   ALA  43           HMB      ALA  43  -4.657   3.468   3.072
  333    H    GLU  44           HN       GLU  44  -2.334   1.729   3.307
  334    HA   GLU  44           HA       GLU  44  -0.853   0.201   1.245
  335   1HB   GLU  44           HBS      GLU  44   0.958  -0.155   2.633
  336   2HB   GLU  44           HBR      GLU  44   0.813   1.503   2.422
  337   1HG   GLU  44           HGS      GLU  44   0.339  -0.235   4.827
  338   2HG   GLU  44           HGR      GLU  44   1.303   1.267   4.801
  339    H    HIS  45           HN       HIS  45  -1.158  -1.931   1.396
  340    HA   HIS  45           HA       HIS  45  -2.204  -3.030   3.924
  341   1HB   HIS  45           HBS      HIS  45  -4.048  -3.319   2.283
  342   2HB   HIS  45           HBR      HIS  45  -2.914  -4.124   1.162
  343    HD1  HIS  45           HD1      HIS  45  -4.379  -4.688   4.682
  344    HD2  HIS  45           HD2      HIS  45  -2.474  -6.753   1.609
  345    HE1  HIS  45           HE1      HIS  45  -4.386  -7.105   5.345
  346    HE2  HIS  45           HE2      HIS  45  -3.268  -8.366   3.472
  347    H    GLU  46           HN       GLU  46  -1.452  -5.291   4.195
  348    HA   GLU  46           HA       GLU  46   1.261  -5.020   4.436
  349   1HB   GLU  46           HBS      GLU  46  -0.587  -7.349   4.507
  350   2HB   GLU  46           HBR      GLU  46   1.036  -7.624   4.832
  351   1HG   GLU  46           HGS      GLU  46  -0.740  -5.610   6.257
  352   2HG   GLU  46           HGR      GLU  46  -0.473  -7.244   6.923
  353    H    GLY  47           HN       GLY  47   2.409  -4.620   2.602
  354   1HA   GLY  47           HAR      GLY  47   3.986  -5.516   1.126
  355   2HA   GLY  47           HAS      GLY  47   2.968  -6.965   0.919
  356    H    LYS  48           HN       LYS  48   1.439  -3.850   0.703
  357    HA   LYS  48           HA       LYS  48   2.391  -2.874  -1.692
  358   1HB   LYS  48           HBR      LYS  48   0.177  -3.316  -3.063
  359   2HB   LYS  48           HBS      LYS  48   1.570  -4.430  -3.153
  360   1HG   LYS  48           HGR      LYS  48  -0.073  -5.300  -0.991
  361   2HG   LYS  48           HGS      LYS  48  -1.145  -4.980  -2.384
  362   1HD   LYS  48           HDR      LYS  48  -0.199  -6.553  -3.697
  363   2HD   LYS  48           HDS      LYS  48   1.353  -6.496  -2.908
  364   1HE   LYS  48           HER      LYS  48  -0.747  -7.398  -1.115
  365   2HE   LYS  48           HES      LYS  48  -0.640  -8.407  -2.586
  366   1HZ   LYS  48           HZA      LYS  48   1.906  -7.826  -1.531
  367   2HZ   LYS  48           HZB      LYS  48   0.971  -8.541  -0.400
  368   3HZ   LYS  48           HZC      LYS  48   1.221  -9.276  -1.838
  369    HA   PRO  49           HA       PRO  49  -0.437   0.353  -0.499
  370   1HB   PRO  49           HBR      PRO  49   0.219   1.974  -2.512
  371   2HB   PRO  49           HBS      PRO  49   0.958   1.971  -1.045
  372   1HG   PRO  49           HGS      PRO  49   1.977   1.111  -3.467
  373   2HG   PRO  49           HGR      PRO  49   2.797   1.364  -2.036
  374   1HD   PRO  49           HDS      PRO  49   2.024  -1.048  -3.114
  375   2HD   PRO  49           HDR      PRO  49   2.870  -0.797  -1.714
  376    H    TYR  50           HN       TYR  50  -2.287   1.471  -1.277
  377    HA   TYR  50           HA       TYR  50  -3.181   0.780  -3.951
  378   1HB   TYR  50           HBR      TYR  50  -4.897  -0.003  -1.562
  379   2HB   TYR  50           HBS      TYR  50  -5.402  -0.024  -3.277
  380    HD1  TYR  50           HD1      TYR  50  -2.873  -1.535  -0.944
  381    HD2  TYR  50           HD2      TYR  50  -5.242  -2.009  -4.443
  382    HE1  TYR  50           HE1      TYR  50  -2.267  -3.915  -1.026
  383    HE2  TYR  50           HE2      TYR  50  -4.695  -4.400  -4.501
  384    HH   TYR  50           HH       TYR  50  -3.151  -5.942  -1.769
  385    H    CYS  51           HN       CYS  51  -5.380   1.909  -4.318
  386    HA   CYS  51           HA       CYS  51  -5.702   4.507  -3.391
  387   1HB   CYS  51           HBS      CYS  51  -7.850   2.493  -4.098
  388   2HB   CYS  51           HBR      CYS  51  -8.138   4.232  -3.814
  389    H    ASN  52           HN       ASN  52  -6.231   5.473  -1.601
  390    HA   ASN  52           HA       ASN  52  -6.989   4.132   0.821
  391   1HB   ASN  52           HBS      ASN  52  -5.878   6.387   0.637
  392   2HB   ASN  52           HBR      ASN  52  -7.480   7.033   0.182
  393   1HD2  ASN  52           HD2      ASN  52  -6.498   6.468   4.046
  394   2HD2  ASN  52           HD2      ASN  52  -5.374   6.421   2.729
  395    H    HIS  53           HN       HIS  53  -8.724   5.567  -1.886
  396    HA   HIS  53           HA       HIS  53 -10.742   3.540  -1.496
  397   1HB   HIS  53           HBS      HIS  53 -11.536   6.464  -1.218
  398   2HB   HIS  53           HBR      HIS  53 -12.657   5.232  -1.865
  399    HD1  HIS  53           HD1      HIS  53 -13.889   3.792  -0.137
  400    HD2  HIS  53           HD2      HIS  53 -10.792   6.047   1.497
  401    HE1  HIS  53           HE1      HIS  53 -14.174   3.687   2.350
  402    HE2  HIS  53           HE2      HIS  53 -12.318   5.071   3.344
  403    HA   PRO  54           HA       PRO  54 -12.692   3.361  -2.268
  404   1HB   PRO  54           HBR      PRO  54 -13.808   1.740  -4.084
  405   2HB   PRO  54           HBS      PRO  54 -14.443   3.172  -3.589
  406   1HG   PRO  54           HGS      PRO  54 -13.358   2.570  -6.043
  407   2HG   PRO  54           HGR      PRO  54 -14.148   3.968  -5.592
  408   1HD   PRO  54           HDS      PRO  54 -11.426   3.590  -5.898
  409   2HD   PRO  54           HDR      PRO  54 -12.219   5.000  -5.556
  410    H    CYS  55           HN       CYS  55 -10.239   2.178  -4.161
  411    HA   CYS  55           HA       CYS  55 -10.848  -0.470  -4.273
  412   1HB   CYS  55           HBS      CYS  55  -8.058   0.710  -4.220
  413   2HB   CYS  55           HBR      CYS  55  -8.512  -0.905  -4.833
  414    H    TYR  56           HN       TYR  56  -9.072   1.158  -1.678
  415    HA   TYR  56           HA       TYR  56  -8.123  -1.241  -0.366
  416   1HB   TYR  56           HBR      TYR  56  -7.057   0.933   0.013
  417   2HB   TYR  56           HBS      TYR  56  -8.577   1.575   0.699
  418    HD1  TYR  56           HD2      TYR  56  -9.490   0.385   2.793
  419    HD2  TYR  56           HD1      TYR  56  -5.488  -0.115   1.444
  420    HE1  TYR  56           HE2      TYR  56  -8.867  -0.501   4.996
  421    HE2  TYR  56           HE1      TYR  56  -4.844  -0.976   3.654
  422    HH   TYR  56           HH       TYR  56  -5.459  -1.203   5.775
  423    H    SER  57           HN       SER  57 -10.675   1.130   0.497
  424    HA   SER  57           HA       SER  57 -11.736  -0.453   2.561
  425   1HB   SER  57           HBS      SER  57 -12.189   2.099   1.532
  426   2HB   SER  57           HBR      SER  57 -13.759   1.258   1.382
  427    HG   SER  57           HG       SER  57 -11.999   1.515   3.689
  428    H    ALA  58           HN       ALA  58 -12.470  -0.338  -0.880
  429    HA   ALA  58           HA       ALA  58 -15.025  -1.646  -0.597
  430   1HB   ALA  58           HMB      ALA  58 -13.332  -0.991  -3.024
  431   2HB   ALA  58           HMB      ALA  58 -15.008  -1.591  -3.066
  432   3HB   ALA  58           HMB      ALA  58 -14.648  -0.008  -2.333
  433    H    MET  59           HN       MET  59 -11.817  -2.604  -1.834
  434    HA   MET  59           HA       MET  59 -12.928  -5.153  -2.713
  435   1HB   MET  59           HBS      MET  59 -10.807  -3.388  -3.540
  436   2HB   MET  59           HBR      MET  59 -10.158  -5.027  -3.274
  437   1HG   MET  59           HGR      MET  59 -10.871  -5.101  -5.509
  438   2HG   MET  59           HGS      MET  59 -12.223  -5.856  -4.634
  439   1HE   MET  59           HME      MET  59 -14.312  -4.534  -3.798
  440   2HE   MET  59           HME      MET  59 -15.157  -3.582  -5.045
  441   3HE   MET  59           HME      MET  59 -14.576  -5.224  -5.419
  442    H    PHE  60           HN       PHE  60 -10.620  -3.948  -0.332
  443    HA   PHE  60           HA       PHE  60  -9.098  -6.262  -0.072
  444   1HB   PHE  60           HBR      PHE  60  -9.306  -3.757   1.410
  445   2HB   PHE  60           HBS      PHE  60  -9.038  -5.142   2.508
  446    HD1  PHE  60           HD1      PHE  60  -7.393  -6.920   1.353
  447    HD2  PHE  60           HD2      PHE  60  -7.286  -2.714   0.681
  448    HE1  PHE  60           HE1      PHE  60  -5.092  -7.132   0.528
  449    HE2  PHE  60           HE2      PHE  60  -4.957  -2.897  -0.132
  450    HZ   PHE  60           HZ       PHE  60  -3.893  -5.131  -0.275
  451    H    GLY  61           HN       GLY  61 -10.285  -8.103   0.014
  452   1HA   GLY  61           HAR      GLY  61 -11.335  -9.168   2.441
  453   2HA   GLY  61           HAS      GLY  61 -12.662  -8.455   1.481
  454    HA   PRO  62           HA       PRO  62 -11.165 -12.743   0.311
  455   1HB   PRO  62           HBS      PRO  62 -13.266 -14.189   1.135
  456   2HB   PRO  62           HBR      PRO  62 -11.866 -14.005   1.973
  457   1HG   PRO  62           HGS      PRO  62 -14.370 -12.862   2.455
  458   2HG   PRO  62           HGR      PRO  62 -13.091 -13.029   3.515
  459   1HD   PRO  62           HDS      PRO  62 -13.837 -10.736   2.312
  460   2HD   PRO  62           HDR      PRO  62 -12.412 -10.983   3.114
  461    H    LYS  63           HN       LYS  63 -11.738 -11.210  -1.600
  462    HA   LYS  63           HA       LYS  63 -12.361 -11.279  -3.804
  463   1HB   LYS  63           HBS      LYS  63 -11.428 -13.756  -2.968
  464   2HB   LYS  63           HBR      LYS  63 -12.938 -14.145  -3.840
  465   1HG   LYS  63           HGR      LYS  63 -10.915 -14.205  -5.295
  466   2HG   LYS  63           HGS      LYS  63 -12.139 -13.020  -5.833
  467   1HD   LYS  63           HDS      LYS  63 -10.880 -11.209  -4.826
  468   2HD   LYS  63           HDR      LYS  63  -9.716 -12.337  -4.189
  469   1HE   LYS  63           HES      LYS  63  -8.589 -12.505  -6.103
  470   2HE   LYS  63           HER      LYS  63 -10.088 -12.587  -7.071
  471   1HZ   LYS  63           HZA      LYS  63  -9.742 -10.030  -5.970
  472   2HZ   LYS  63           HZB      LYS  63  -8.408 -10.449  -6.813
  473   3HZ   LYS  63           HZC      LYS  63  -9.872 -10.466  -7.538
  474    H    GLY  64           HN       GLY  64 -14.551 -11.038  -1.767
  475   1HA   GLY  64           HAR      GLY  64 -16.740 -12.636  -2.313
  476   2HA   GLY  64           HAS      GLY  64 -16.856 -10.970  -1.689
  477    H    PHE  65           HN       PHE  65 -16.954 -13.032  -4.520
  478    HA   PHE  65           HA       PHE  65 -19.086 -11.692  -5.656
  479   1HB   PHE  65           HBS      PHE  65 -17.520  -9.799  -6.134
  480   2HB   PHE  65           HBR      PHE  65 -16.542 -10.904  -7.141
  481    HD1  PHE  65           HD2      PHE  65 -20.304 -10.798  -6.985
  482    HD2  PHE  65           HD1      PHE  65 -16.753 -10.006  -9.201
  483    HE1  PHE  65           HE2      PHE  65 -21.672 -10.277  -8.977
  484    HE2  PHE  65           HE1      PHE  65 -18.087  -9.477 -11.191
  485    HZ   PHE  65           HZ       PHE  65 -20.549  -9.553 -11.065
  486    H    GLY  66           HN       GLY  66 -16.175 -12.636  -7.469
  487   1HA   GLY  66           HAR      GLY  66 -15.607 -14.535  -8.637
  488   2HA   GLY  66           HAS      GLY  66 -16.573 -15.400  -7.412
  489    H    ARG  67           HN       ARG  67 -16.580 -16.524  -9.789
  490    HA   ARG  67           HA       ARG  67 -18.791 -15.777 -11.502
  491   1HB   ARG  67           HBR      ARG  67 -17.040 -17.278 -12.292
  492   2HB   ARG  67           HBS      ARG  67 -17.456 -18.461 -11.019
  493   1HG   ARG  67           HGS      ARG  67 -19.012 -19.385 -12.312
  494   2HG   ARG  67           HGR      ARG  67 -19.804 -17.804 -12.569
  495   1HD   ARG  67           HDS      ARG  67 -18.978 -19.048 -14.617
  496   2HD   ARG  67           HDR      ARG  67 -18.509 -17.333 -14.447
  497    HE   ARG  67           HE       ARG  67 -16.725 -19.669 -14.007
  498   1HH1  ARG  67           HH1      ARG  67 -17.148 -16.176 -14.230
  499   2HH1  ARG  67           HH1      ARG  67 -15.483 -15.891 -14.610
  500   1HH2  ARG  67           HH2      ARG  67 -14.584 -19.267 -14.631
  501   2HH2  ARG  67           HH2      ARG  67 -14.031 -17.638 -14.834
  502    H    GLY  68           HN       GLY  68 -20.805 -15.704 -10.869
  503   1HA   GLY  68           HAS      GLY  68 -21.747 -16.700  -8.330
  504   2HA   GLY  68           HAR      GLY  68 -22.738 -16.016  -9.645
  505    H    GLY  69           HN       GLY  69 -21.268 -18.064 -11.459
  506   1HA   GLY  69           HAR      GLY  69 -21.309 -20.442 -11.846
  507   2HA   GLY  69           HAS      GLY  69 -22.528 -20.607 -10.554
  508    H    ALA  70           HN       ALA  70 -24.321 -21.322 -11.479
  509    HA   ALA  70           HA       ALA  70 -26.259 -21.337 -12.697
  510   1HB   ALA  70           HMB      ALA  70 -26.147 -19.007 -11.647
  511   2HB   ALA  70           HMB      ALA  70 -25.691 -18.431 -13.271
  512   3HB   ALA  70           HMB      ALA  70 -27.255 -19.247 -13.021
  513    H    GLU  71           HN       GLU  71 -25.985 -22.599 -14.422
  514    HA   GLU  71           HA       GLU  71 -24.363 -21.909 -16.656
  515   1HB   GLU  71           HBS      GLU  71 -25.440 -24.071 -15.549
  516   2HB   GLU  71           HBR      GLU  71 -26.578 -23.917 -16.774
  517   1HG   GLU  71           HGR      GLU  71 -24.536 -25.462 -17.304
  518   2HG   GLU  71           HGS      GLU  71 -24.891 -24.176 -18.489
  519    H    SER  72           HN       SER  72 -27.920 -22.090 -16.248
  520    HA   SER  72           HA       SER  72 -29.661 -21.351 -17.533
  521   1HB   SER  72           HBS      SER  72 -29.591 -19.106 -18.131
  522   2HB   SER  72           HBR      SER  72 -28.457 -19.235 -16.754
  523    HG   SER  72           HG       SER  72 -27.154 -18.207 -17.960
  524    H    HIS  73           HN       HIS  73 -29.740 -19.931 -19.928
  525    HA   HIS  73           HA       HIS  73 -28.150 -21.499 -21.853
  526   1HB   HIS  73           HBS      HIS  73 -29.998 -21.730 -23.435
  527   2HB   HIS  73           HBR      HIS  73 -30.351 -22.607 -21.920
  528    HD1  HIS  73           HD1      HIS  73 -32.798 -21.933 -23.583
  529    HD2  HIS  73           HD2      HIS  73 -31.169 -19.284 -20.813
  530    HE1  HIS  73           HE1      HIS  73 -34.673 -20.445 -22.840
  531    HE2  HIS  73           HE2      HIS  73 -33.701 -18.859 -21.143
  532    H    THR  74           HN       THR  74 -27.703 -20.414 -23.765
  533    HA   THR  74           HA       THR  74 -27.035 -17.744 -23.301
  534    HB   THR  74           HB       THR  74 -26.268 -17.663 -25.655
  535    HG1  THR  74           HG1      THR  74 -26.651 -19.187 -26.909
  536   1HG2  THR  74           HMG      THR  74 -24.905 -18.968 -24.025
  537   2HG2  THR  74           HMG      THR  74 -25.727 -20.445 -24.590
  538   3HG2  THR  74           HMG      THR  74 -24.723 -19.498 -25.717
  539    H    PHE  75           HN       PHE  75 -27.488 -16.033 -25.124
  540    HA   PHE  75           HA       PHE  75 -30.133 -15.200 -24.477
  541   1HB   PHE  75           HBR      PHE  75 -29.601 -13.254 -26.088
  542   2HB   PHE  75           HBS      PHE  75 -28.600 -13.425 -24.616
  543    HD1  PHE  75           HD1      PHE  75 -28.754 -14.439 -28.161
  544    HD2  PHE  75           HD2      PHE  75 -26.217 -13.337 -24.919
  545    HE1  PHE  75           HE1      PHE  75 -26.813 -14.598 -29.653
  546    HE2  PHE  75           HE2      PHE  75 -24.245 -13.487 -26.403
  547    HZ   PHE  75           HZ       PHE  75 -24.551 -14.183 -28.762
  548    H    LYS  76           HN       LYS  76 -31.232 -13.900 -26.494
  549    HA   LYS  76           HA       LYS  76 -31.258 -15.543 -28.924
  550   1HB   LYS  76           HBS      LYS  76 -33.253 -16.013 -27.071
  551   2HB   LYS  76           HBR      LYS  76 -33.983 -14.783 -28.142
  552   1HG   LYS  76           HGR      LYS  76 -34.563 -16.987 -28.961
  553   2HG   LYS  76           HGS      LYS  76 -33.419 -16.226 -30.103
  554   1HD   LYS  76           HDS      LYS  76 -32.321 -17.973 -27.954
  555   2HD   LYS  76           HDR      LYS  76 -33.200 -18.728 -29.255
  556   1HE   LYS  76           HES      LYS  76 -31.420 -16.832 -30.414
  557   2HE   LYS  76           HER      LYS  76 -30.527 -17.838 -29.238
  558   1HZ   LYS  76           HZB      LYS  76 -32.037 -19.612 -30.549
  559   2HZ   LYS  76           HZC      LYS  76 -31.663 -18.565 -31.746
  560   3HZ   LYS  76           HZA      LYS  76 -30.473 -19.285 -30.890
   
  No H/Q in entry =         560
  Start of MODEL   19
    1    H    PRO   1           HN       PRO   1  12.239   2.837   5.206
    2    HA   PRO   1           HA       PRO   1  13.471   4.055   3.596
    3   1HB   PRO   1           HBR      PRO   1  16.017   3.369   4.551
    4   2HB   PRO   1           HBS      PRO   1  15.463   4.849   4.103
    5   1HG   PRO   1           HGS      PRO   1  15.932   4.109   6.599
    6   2HG   PRO   1           HGR      PRO   1  14.990   5.416   6.161
    7   1HD   PRO   1           HDS      PRO   1  14.165   2.943   7.185
    8   2HD   PRO   1           HDR      PRO   1  13.303   4.350   7.080
    9    H    LYS   2           HN       LYS   2  12.516   1.338   4.141
   10    HA   LYS   2           HA       LYS   2  13.877   0.200   1.759
   11   1HB   LYS   2           HBS      LYS   2  13.261  -2.086   2.792
   12   2HB   LYS   2           HBR      LYS   2  14.744  -1.251   3.336
   13   1HG   LYS   2           HGR      LYS   2  13.509  -0.429   5.334
   14   2HG   LYS   2           HGS      LYS   2  12.075  -1.349   4.798
   15   1HD   LYS   2           HDR      LYS   2  12.855  -3.285   5.485
   16   2HD   LYS   2           HDS      LYS   2  14.474  -2.993   4.914
   17   1HE   LYS   2           HER      LYS   2  14.448  -1.300   6.990
   18   2HE   LYS   2           HES      LYS   2  13.245  -2.488   7.568
   19   1HZ   LYS   2           HZB      LYS   2  15.001  -4.169   6.925
   20   2HZ   LYS   2           HZC      LYS   2  16.057  -2.924   6.900
   21   3HZ   LYS   2           HZA      LYS   2  15.265  -3.294   8.280
   22    H    CYS   3           HN       CYS   3  12.541  -0.756   0.308
   23    HA   CYS   3           HA       CYS   3   9.910   0.245   0.370
   24   1HB   CYS   3           HBS      CYS   3  11.460   0.110  -1.582
   25   2HB   CYS   3           HBR      CYS   3  11.143  -1.647  -1.639
   26    HA   PRO   4           HA       PRO   4   7.713  -3.357   1.843
   27   1HB   PRO   4           HBR      PRO   4   5.345  -2.050   1.458
   28   2HB   PRO   4           HBS      PRO   4   6.088  -2.315   2.897
   29   1HG   PRO   4           HGS      PRO   4   5.745   0.067   1.747
   30   2HG   PRO   4           HGR      PRO   4   6.761  -0.243   3.033
   31   1HD   PRO   4           HDS      PRO   4   7.418   0.049   0.289
   32   2HD   PRO   4           HDR      PRO   4   8.356   0.383   1.611
   33    H    LYS   5           HN       LYS   5   7.362  -1.651  -1.069
   34    HA   LYS   5           HA       LYS   5   5.279  -3.304  -2.173
   35   1HB   LYS   5           HBR      LYS   5   6.233  -0.859  -2.801
   36   2HB   LYS   5           HBS      LYS   5   7.107  -1.846  -4.008
   37   1HG   LYS   5           HGS      LYS   5   4.176  -2.344  -3.712
   38   2HG   LYS   5           HGR      LYS   5   4.668  -0.796  -4.458
   39   1HD   LYS   5           HDR      LYS   5   6.234  -2.377  -5.854
   40   2HD   LYS   5           HDS      LYS   5   5.117  -3.626  -5.373
   41   1HE   LYS   5           HER      LYS   5   3.685  -2.999  -6.939
   42   2HE   LYS   5           HES      LYS   5   3.646  -1.332  -6.297
   43   1HZ   LYS   5           HZA      LYS   5   5.972  -1.375  -7.548
   44   2HZ   LYS   5           HZB      LYS   5   5.139  -2.410  -8.497
   45   3HZ   LYS   5           HZC      LYS   5   4.580  -0.895  -8.254
   46    H    CYS   6           HN       CYS   6   8.764  -2.961  -2.971
   47    HA   CYS   6           HA       CYS   6   8.507  -5.450  -4.579
   48   1HB   CYS   6           HBS      CYS   6  10.513  -4.765  -5.756
   49   2HB   CYS   6           HBR      CYS   6   9.191  -3.574  -5.895
   50    H    ASP   7           HN       ASP   7   9.847  -4.101  -1.728
   51    HA   ASP   7           HA       ASP   7  11.276  -4.849  -0.143
   52   1HB   ASP   7           HBS      ASP   7  10.037  -7.090  -0.858
   53   2HB   ASP   7           HBR      ASP   7  11.700  -7.520  -1.350
   54    H    LYS   8           HN       LYS   8  12.338  -3.204  -1.797
   55    HA   LYS   8           HA       LYS   8  15.123  -4.269  -1.875
   56   1HB   LYS   8           HBR      LYS   8  13.873  -2.967  -3.974
   57   2HB   LYS   8           HBS      LYS   8  14.725  -1.646  -3.125
   58   1HG   LYS   8           HGS      LYS   8  16.586  -2.241  -4.207
   59   2HG   LYS   8           HGR      LYS   8  16.580  -3.765  -3.274
   60   1HD   LYS   8           HDS      LYS   8  14.816  -3.647  -5.657
   61   2HD   LYS   8           HDR      LYS   8  16.521  -3.511  -5.984
   62   1HE   LYS   8           HES      LYS   8  16.852  -5.673  -5.702
   63   2HE   LYS   8           HER      LYS   8  16.082  -5.617  -4.092
   64   1HZ   LYS   8           HZB      LYS   8  14.310  -5.501  -6.355
   65   2HZ   LYS   8           HZC      LYS   8  15.074  -6.927  -6.133
   66   3HZ   LYS   8           HZA      LYS   8  14.151  -6.301  -4.939
   67    H    GLU   9           HN       GLU   9  16.479  -1.940  -1.718
   68    HA   GLU   9           HA       GLU   9  15.345  -0.444   0.609
   69   1HB   GLU   9           HBR      GLU   9  18.150   0.001  -0.182
   70   2HB   GLU   9           HBS      GLU   9  17.389   0.071   1.307
   71   1HG   GLU   9           HGR      GLU   9  18.068  -2.605   0.001
   72   2HG   GLU   9           HGS      GLU   9  19.005  -1.753   1.258
   73    H    VAL  10           HN       VAL  10  15.487   1.843   0.471
   74    HA   VAL  10           HA       VAL  10  15.018   2.599  -2.351
   75    HB   VAL  10           HB       VAL  10  13.664   3.314   0.248
   76   1HG1  VAL  10           HMG      VAL  10  13.964   5.312  -1.418
   77   2HG1  VAL  10           HMG      VAL  10  12.688   4.478  -2.337
   78   3HG1  VAL  10           HMG      VAL  10  12.386   4.993  -0.660
   79   1HG2  VAL  10           HMG      VAL  10  13.245   1.254  -1.482
   80   2HG2  VAL  10           HMG      VAL  10  12.040   1.929  -0.362
   81   3HG2  VAL  10           HMG      VAL  10  12.067   2.466  -2.057
   82    H    TYR  11           HN       TYR  11  16.250   4.011  -3.271
   83    HA   TYR  11           HA       TYR  11  18.294   5.454  -1.710
   84   1HB   TYR  11           HBS      TYR  11  18.678   4.266  -3.981
   85   2HB   TYR  11           HBR      TYR  11  17.836   5.672  -4.690
   86    HD1  TYR  11           HD1      TYR  11  20.614   5.027  -2.217
   87    HD2  TYR  11           HD2      TYR  11  19.216   7.314  -5.518
   88    HE1  TYR  11           HE1      TYR  11  22.781   6.179  -2.328
   89    HE2  TYR  11           HE2      TYR  11  21.380   8.462  -5.650
   90    HH   TYR  11           HH       TYR  11  24.168   7.262  -3.914
   91    H    PHE  12           HN       PHE  12  18.515   7.735  -1.888
   92    HA   PHE  12           HA       PHE  12  16.255   8.770  -0.801
   93   1HB   PHE  12           HBS      PHE  12  17.421  11.141  -1.376
   94   2HB   PHE  12           HBR      PHE  12  17.985  10.050  -0.077
   95    HD1  PHE  12           HD2      PHE  12  20.027   8.551  -0.563
   96    HD2  PHE  12           HD1      PHE  12  18.742  11.738  -3.084
   97    HE1  PHE  12           HE2      PHE  12  22.270   8.629  -1.600
   98    HE2  PHE  12           HE1      PHE  12  20.949  11.814  -4.149
   99    HZ   PHE  12           HZ       PHE  12  22.716  10.257  -3.415
  100    H    ALA  13           HN       ALA  13  17.572  10.213  -3.811
  101    HA   ALA  13           HA       ALA  13  15.280  11.526  -4.395
  102   1HB   ALA  13           HMB      ALA  13  17.485  12.018  -5.361
  103   2HB   ALA  13           HMB      ALA  13  17.394  10.533  -6.342
  104   3HB   ALA  13           HMB      ALA  13  16.262  11.874  -6.650
  105    H    GLU  14           HN       GLU  14  15.604   8.229  -4.670
  106    HA   GLU  14           HA       GLU  14  13.415   8.011  -6.646
  107   1HB   GLU  14           HBS      GLU  14  15.081   6.034  -5.144
  108   2HB   GLU  14           HBR      GLU  14  13.929   5.561  -6.269
  109   1HG   GLU  14           HGR      GLU  14  16.005   7.559  -7.228
  110   2HG   GLU  14           HGS      GLU  14  16.583   5.938  -6.760
  111    H    ARG  15           HN       ARG  15  13.219   9.026  -3.740
  112    HA   ARG  15           HA       ARG  15  11.824   6.808  -2.421
  113   1HB   ARG  15           HBR      ARG  15  12.039   8.027  -0.398
  114   2HB   ARG  15           HBS      ARG  15  13.597   8.145  -1.265
  115   1HG   ARG  15           HGR      ARG  15  12.609  10.433  -2.110
  116   2HG   ARG  15           HGS      ARG  15  11.559  10.270  -0.674
  117   1HD   ARG  15           HDR      ARG  15  14.479   9.798  -0.363
  118   2HD   ARG  15           HDS      ARG  15  13.904  11.475  -0.580
  119    HE   ARG  15           HE       ARG  15  12.312  10.248   1.401
  120   1HH1  ARG  15           HH1      ARG  15  15.739  10.952   0.977
  121   2HH1  ARG  15           HH1      ARG  15  15.974  11.357   2.645
  122   1HH2  ARG  15           HH2      ARG  15  12.628  10.911   3.545
  123   2HH2  ARG  15           HH2      ARG  15  14.213  11.333   4.099
  124    H    VAL  16           HN       VAL  16   9.799   6.909  -1.500
  125    HA   VAL  16           HA       VAL  16   8.446   9.461  -1.427
  126    HB   VAL  16           HB       VAL  16   6.337   8.780  -2.320
  127   1HG1  VAL  16           HMG      VAL  16   8.610   8.239  -4.241
  128   2HG1  VAL  16           HMG      VAL  16   6.909   8.414  -4.732
  129   3HG1  VAL  16           HMG      VAL  16   7.754   9.773  -3.952
  130   1HG2  VAL  16           HMG      VAL  16   7.606   6.086  -2.840
  131   2HG2  VAL  16           HMG      VAL  16   6.230   6.464  -1.777
  132   3HG2  VAL  16           HMG      VAL  16   6.060   6.621  -3.541
  133    H    THR  17           HN       THR  17   7.007   9.618   0.273
  134    HA   THR  17           HA       THR  17   7.578   7.535   2.318
  135    HB   THR  17           HB       THR  17   7.091  10.490   2.931
  136    HG1  THR  17           HG1      THR  17   9.085  10.762   2.858
  137   1HG2  THR  17           HMG      THR  17   8.197   8.144   4.404
  138   2HG2  THR  17           HMG      THR  17   8.902   9.749   4.726
  139   3HG2  THR  17           HMG      THR  17   7.158   9.477   4.972
  140    H    SER  18           HN       SER  18   6.045   6.866   3.702
  141    HA   SER  18           HA       SER  18   3.398   7.825   3.952
  142   1HB   SER  18           HBR      SER  18   3.274   7.365   1.529
  143   2HB   SER  18           HBS      SER  18   3.683   5.656   1.857
  144    HG   SER  18           HG       SER  18   1.757   5.210   2.275
  145    H    LEU  19           HN       LEU  19   2.441   6.806   5.560
  146    HA   LEU  19           HA       LEU  19   2.380   5.608   7.506
  147   1HB   LEU  19           HBR      LEU  19   3.247   3.460   5.547
  148   2HB   LEU  19           HBS      LEU  19   2.657   3.158   7.206
  149    HG   LEU  19           HG       LEU  19   0.865   2.684   5.750
  150   1HD1  LEU  19           HMD      LEU  19   0.342   4.103   7.753
  151   2HD1  LEU  19           HMD      LEU  19   0.387   5.528   6.685
  152   3HD1  LEU  19           HMD      LEU  19  -0.824   4.249   6.414
  153   1HD2  LEU  19           HMD      LEU  19   2.096   4.251   3.969
  154   2HD2  LEU  19           HMD      LEU  19   0.372   3.821   3.835
  155   3HD2  LEU  19           HMD      LEU  19   0.847   5.399   4.513
  156    H    GLY  20           HN       GLY  20   4.768   7.095   6.917
  157   1HA   GLY  20           HAR      GLY  20   6.725   7.539   8.045
  158   2HA   GLY  20           HAS      GLY  20   6.129   6.383   9.265
  159    H    LYS  21           HN       LYS  21   6.441   5.156   6.063
  160    HA   LYS  21           HA       LYS  21   9.299   4.561   6.335
  161   1HB   LYS  21           HBS      LYS  21   7.170   2.456   6.177
  162   2HB   LYS  21           HBR      LYS  21   8.677   2.232   5.242
  163   1HG   LYS  21           HGS      LYS  21   8.626   2.807   8.226
  164   2HG   LYS  21           HGR      LYS  21   8.636   1.158   7.538
  165   1HD   LYS  21           HDR      LYS  21  10.821   1.256   7.449
  166   2HD   LYS  21           HDS      LYS  21  10.714   2.512   6.247
  167   1HE   LYS  21           HES      LYS  21  11.278   4.148   7.719
  168   2HE   LYS  21           HER      LYS  21  10.387   3.370   9.056
  169   1HZ   LYS  21           HZC      LYS  21  12.743   2.014   8.094
  170   2HZ   LYS  21           HZA      LYS  21  12.994   3.399   8.921
  171   3HZ   LYS  21           HZB      LYS  21  12.173   2.169   9.616
  172    H    ASP  22           HN       ASP  22  10.279   4.098   4.305
  173    HA   ASP  22           HA       ASP  22   9.018   5.794   2.341
  174   1HB   ASP  22           HBS      ASP  22  11.782   4.644   2.124
  175   2HB   ASP  22           HBR      ASP  22  11.129   6.174   1.470
  176    H    TRP  23           HN       TRP  23   9.370   5.371  -0.009
  177    HA   TRP  23           HA       TRP  23   9.284   2.494  -0.754
  178   1HB   TRP  23           HBR      TRP  23   7.393   4.656  -1.696
  179   2HB   TRP  23           HBS      TRP  23   7.318   2.901  -2.057
  180    HD1  TRP  23           HD1      TRP  23   6.806   5.411   0.838
  181    HE1  TRP  23           HE1      TRP  23   4.957   4.497   2.378
  182    HE3  TRP  23           HE3      TRP  23   6.031   0.959  -1.493
  183    HZ2  TRP  23           HZ2      TRP  23   3.259   2.264   2.431
  184    HZ3  TRP  23           HZ3      TRP  23   4.288  -0.532  -0.627
  185    HH2  TRP  23           HH2      TRP  23   2.856   0.143   1.230
  186    H    HIS  24           HN       ZHI  24   9.232   2.353  -3.245
  187    HA   HIS  24           HA       ZHI  24  11.055   4.316  -4.445
  188   1HB   HIS  24           HBS      ZHI  24   9.833   1.799  -5.663
  189   2HB   HIS  24           HBR      ZHI  24  11.061   2.853  -6.424
  190    HD2  HIS  24           HD2      ZHI  24  13.219   3.172  -4.150
  191    HE1  HIS  24           HE1      ZHI  24  12.734  -0.813  -2.990
  192    HE2  HIS  24           HE2      ZHI  24  14.369   1.101  -3.106
  193    H    ARG  25           HN       ARG  25  10.628   5.547  -6.239
  194    HA   ARG  25           HA       ARG  25   8.220   6.940  -6.033
  195   1HB   ARG  25           HBR      ARG  25  10.561   6.997  -7.843
  196   2HB   ARG  25           HBS      ARG  25   9.045   7.638  -8.540
  197   1HG   ARG  25           HGR      ARG  25   8.866   9.126  -6.506
  198   2HG   ARG  25           HGS      ARG  25  10.519   8.602  -6.073
  199   1HD   ARG  25           HDR      ARG  25  11.102  10.402  -7.265
  200   2HD   ARG  25           HDS      ARG  25  10.904   9.278  -8.639
  201    HE   ARG  25           HE       ARG  25   8.506  10.237  -8.693
  202   1HH1  ARG  25           HH1      ARG  25  11.464  12.031  -8.017
  203   2HH1  ARG  25           HH1      ARG  25  10.751  13.563  -8.396
  204   1HH2  ARG  25           HH2      ARG  25   7.573  12.270  -9.056
  205   2HH2  ARG  25           HH2      ARG  25   8.549  13.698  -8.986
  206    HA   PRO  26           HA       PRO  26   6.855   4.600 -10.028
  207   1HB   PRO  26           HBS      PRO  26   8.183   2.286 -10.429
  208   2HB   PRO  26           HBR      PRO  26   8.338   3.641 -11.344
  209   1HG   PRO  26           HGR      PRO  26  10.108   2.601  -9.442
  210   2HG   PRO  26           HGS      PRO  26  10.407   3.704 -10.658
  211   1HD   PRO  26           HDS      PRO  26  10.203   4.305  -8.052
  212   2HD   PRO  26           HDR      PRO  26  10.128   5.399  -9.291
  213    H    CYS  27           HN       CYS  27   7.880   2.806  -7.300
  214    HA   CYS  27           HA       CYS  27   6.256   0.572  -7.726
  215   1HB   CYS  27           HBS      CYS  27   7.774   1.695  -5.427
  216   2HB   CYS  27           HBR      CYS  27   6.539   0.454  -5.072
  217    H    LEU  28           HN       LEU  28   5.663   3.435  -5.676
  218    HA   LEU  28           HA       LEU  28   3.541   2.338  -4.246
  219   1HB   LEU  28           HBR      LEU  28   5.033   4.376  -3.840
  220   2HB   LEU  28           HBS      LEU  28   3.872   5.279  -4.854
  221    HG   LEU  28           HG       LEU  28   2.171   4.196  -3.069
  222   1HD1  LEU  28           HMD      LEU  28   4.638   3.542  -1.971
  223   2HD1  LEU  28           HMD      LEU  28   4.172   5.032  -1.109
  224   3HD1  LEU  28           HMD      LEU  28   3.081   3.622  -1.107
  225   1HD2  LEU  28           HMD      LEU  28   3.614   6.716  -3.467
  226   2HD2  LEU  28           HMD      LEU  28   1.884   6.418  -3.158
  227   3HD2  LEU  28           HMD      LEU  28   3.032   6.497  -1.797
  228    H    LYS  29           HN       LYS  29   2.097   1.281  -5.559
  229    HA   LYS  29           HA       LYS  29   0.297   2.938  -7.242
  230   1HB   LYS  29           HBR      LYS  29   1.916   0.549  -8.182
  231   2HB   LYS  29           HBS      LYS  29   0.560   1.290  -9.079
  232   1HG   LYS  29           HGR      LYS  29   1.817   3.418  -9.196
  233   2HG   LYS  29           HGS      LYS  29   3.181   2.648  -8.336
  234   1HD   LYS  29           HDS      LYS  29   3.791   1.356 -10.110
  235   2HD   LYS  29           HDR      LYS  29   2.182   1.312 -10.777
  236   1HE   LYS  29           HER      LYS  29   2.427   3.742 -11.348
  237   2HE   LYS  29           HES      LYS  29   4.159   3.572 -10.941
  238   1HZ   LYS  29           HZC      LYS  29   3.538   1.491 -12.599
  239   2HZ   LYS  29           HZA      LYS  29   2.812   2.788 -13.273
  240   3HZ   LYS  29           HZB      LYS  29   4.417   2.815 -12.972
  241    H    CYS  30           HN       CYS  30  -1.699   2.062  -7.593
  242    HA   CYS  30           HA       CYS  30  -2.699   0.091  -5.797
  243   1HB   CYS  30           HBS      CYS  30  -3.919   2.009  -7.028
  244   2HB   CYS  30           HBR      CYS  30  -4.077   0.825  -8.358
  245    H    GLU  31           HN       GLU  31  -2.611  -2.002  -5.844
  246    HA   GLU  31           HA       GLU  31  -2.104  -3.447  -8.392
  247   1HB   GLU  31           HBS      GLU  31  -1.471  -3.709  -5.661
  248   2HB   GLU  31           HBR      GLU  31  -2.460  -5.025  -5.990
  249   1HG   GLU  31           HGR      GLU  31  -0.656  -5.047  -8.185
  250   2HG   GLU  31           HGS      GLU  31   0.290  -4.362  -6.836
  251    H    LYS  32           HN       LYS  32  -4.617  -1.984  -7.637
  252    HA   LYS  32           HA       LYS  32  -6.461  -4.297  -8.027
  253   1HB   LYS  32           HBS      LYS  32  -6.490  -2.653  -5.908
  254   2HB   LYS  32           HBR      LYS  32  -7.455  -1.665  -7.040
  255   1HG   LYS  32           HGS      LYS  32  -8.047  -4.485  -6.070
  256   2HG   LYS  32           HGR      LYS  32  -8.969  -2.996  -5.721
  257   1HD   LYS  32           HDS      LYS  32  -8.578  -4.065  -8.519
  258   2HD   LYS  32           HDR      LYS  32  -9.814  -4.696  -7.466
  259   1HE   LYS  32           HER      LYS  32 -11.026  -3.135  -8.537
  260   2HE   LYS  32           HES      LYS  32 -10.441  -2.155  -7.162
  261   1HZ   LYS  32           HZC      LYS  32  -9.161  -2.264  -9.807
  262   2HZ   LYS  32           HZA      LYS  32 -10.159  -1.073  -9.304
  263   3HZ   LYS  32           HZB      LYS  32  -8.726  -1.306  -8.557
  264    H    CYS  33           HN       CYS  33  -6.197  -0.764  -8.599
  265    HA   CYS  33           HA       CYS  33  -7.531  -1.234 -11.193
  266   1HB   CYS  33           HBS      CYS  33  -8.218   1.047 -11.144
  267   2HB   CYS  33           HBR      CYS  33  -8.646   0.218  -9.623
  268    H    GLY  34           HN       GLY  34  -4.456  -0.598  -9.936
  269   1HA   GLY  34           HAR      GLY  34  -2.434  -0.206 -10.961
  270   2HA   GLY  34           HAS      GLY  34  -3.275  -0.405 -12.521
  271    H    LYS  35           HN       LYS  35  -3.958   1.974  -9.962
  272    HA   LYS  35           HA       LYS  35  -3.163   4.173 -11.809
  273   1HB   LYS  35           HBS      LYS  35  -4.979   4.075  -9.398
  274   2HB   LYS  35           HBR      LYS  35  -4.253   5.602  -9.974
  275   1HG   LYS  35           HGR      LYS  35  -5.315   4.521 -12.289
  276   2HG   LYS  35           HGS      LYS  35  -6.511   4.049 -11.049
  277   1HD   LYS  35           HDS      LYS  35  -5.533   6.851 -11.603
  278   2HD   LYS  35           HDR      LYS  35  -7.040   6.161 -12.140
  279   1HE   LYS  35           HER      LYS  35  -6.211   6.632  -9.289
  280   2HE   LYS  35           HES      LYS  35  -7.448   7.529 -10.215
  281   1HZ   LYS  35           HZB      LYS  35  -7.653   4.641  -9.790
  282   2HZ   LYS  35           HZC      LYS  35  -8.210   5.699  -8.677
  283   3HZ   LYS  35           HZA      LYS  35  -8.832   5.700 -10.187
  284    H    THR  36           HN       THR  36  -1.398   5.291 -11.400
  285    HA   THR  36           HA       THR  36   0.424   4.707  -9.270
  286    HB   THR  36           HB       THR  36   0.250   7.229 -11.016
  287    HG1  THR  36           HG1      THR  36   1.348   6.322 -12.284
  288   1HG2  THR  36           HMG      THR  36   2.260   6.249  -9.059
  289   2HG2  THR  36           HMG      THR  36   2.876   6.922 -10.590
  290   3HG2  THR  36           HMG      THR  36   1.830   7.911  -9.538
  291    H    LEU  37           HN       LEU  37   0.773   5.666  -7.353
  292    HA   LEU  37           HA       LEU  37  -1.593   7.075  -6.286
  293   1HB   LEU  37           HBR      LEU  37   0.624   5.504  -4.936
  294   2HB   LEU  37           HBS      LEU  37  -0.848   6.149  -4.154
  295    HG   LEU  37           HG       LEU  37  -0.880   4.073  -6.355
  296   1HD1  LEU  37           HMD      LEU  37  -0.757   3.816  -3.347
  297   2HD1  LEU  37           HMD      LEU  37  -1.512   2.566  -4.368
  298   3HD1  LEU  37           HMD      LEU  37   0.209   2.973  -4.585
  299   1HD2  LEU  37           HMD      LEU  37  -2.847   5.532  -4.672
  300   2HD2  LEU  37           HMD      LEU  37  -3.003   4.876  -6.321
  301   3HD2  LEU  37           HMD      LEU  37  -3.146   3.792  -4.914
  302    H    THR  38           HN       THR  38  -1.536   9.096  -5.680
  303    HA   THR  38           HA       THR  38   0.974  10.582  -6.026
  304    HB   THR  38           HB       THR  38  -1.270  11.357  -7.012
  305    HG1  THR  38           HG1      THR  38  -0.485  12.980  -7.063
  306   1HG2  THR  38           HMG      THR  38  -1.908  11.650  -4.120
  307   2HG2  THR  38           HMG      THR  38  -2.396  12.973  -5.209
  308   3HG2  THR  38           HMG      THR  38  -2.973  11.314  -5.509
  309    H    SER  39           HN       SER  39   0.650  12.694  -4.369
  310    HA   SER  39           HA       SER  39   2.018  11.575  -2.140
  311   1HB   SER  39           HBR      SER  39   2.458  13.831  -1.464
  312   2HB   SER  39           HBS      SER  39   2.616  13.703  -3.241
  313    HG   SER  39           HG       SER  39   1.549  15.623  -2.345
  314    H    GLY  40           HN       GLY  40   0.349  10.230  -1.253
  315   1HA   GLY  40           HAR      GLY  40  -0.635   9.852   0.808
  316   2HA   GLY  40           HAS      GLY  40  -0.771  11.616   1.045
  317    H    GLY  41           HN       GLY  41  -2.010   9.378  -1.468
  318   1HA   GLY  41           HAR      GLY  41  -4.753   9.752  -0.356
  319   2HA   GLY  41           HAS      GLY  41  -4.475   9.875  -2.111
  320    H    HIS  42           HN       HIS  42  -2.265   7.670  -0.963
  321    HA   HIS  42           HA       HIS  42  -4.012   5.414  -1.574
  322   1HB   HIS  42           HBS      HIS  42  -1.984   4.117  -1.846
  323   2HB   HIS  42           HBR      HIS  42  -1.827   5.666  -2.724
  324    HD1  HIS  42           HD1      HIS  42   0.091   3.535  -0.515
  325    HD2  HIS  42           HD2      HIS  42  -0.347   7.640  -1.065
  326    HE1  HIS  42           HE1      HIS  42   2.138   4.601   0.459
  327    HE2  HIS  42           HE2      HIS  42   1.921   7.078   0.046
  328    H    ALA  43           HN       ALA  43  -2.780   3.322  -0.388
  329    HA   ALA  43           HA       ALA  43  -1.888   3.710   2.222
  330   1HB   ALA  43           HMB      ALA  43  -4.793   2.961   2.023
  331   2HB   ALA  43           HMB      ALA  43  -3.787   2.359   3.364
  332   3HB   ALA  43           HMB      ALA  43  -3.987   4.112   3.118
  333    H    GLU  44           HN       GLU  44  -1.375   1.662   3.284
  334    HA   GLU  44           HA       GLU  44  -0.588  -0.161   1.069
  335   1HB   GLU  44           HBS      GLU  44   1.407  -0.384   2.202
  336   2HB   GLU  44           HBR      GLU  44   1.110   1.261   2.060
  337   1HG   GLU  44           HGR      GLU  44   0.283   1.195   4.558
  338   2HG   GLU  44           HGS      GLU  44   0.771  -0.521   4.496
  339    H    HIS  45           HN       HIS  45  -1.102  -2.219   1.118
  340    HA   HIS  45           HA       HIS  45  -1.755  -3.595   3.662
  341   1HB   HIS  45           HBS      HIS  45  -1.497  -4.917   0.940
  342   2HB   HIS  45           HBR      HIS  45  -2.315  -5.528   2.407
  343    HD1  HIS  45           HD1      HIS  45  -2.734  -2.273   0.366
  344    HD2  HIS  45           HD2      HIS  45  -4.951  -5.158   2.381
  345    HE1  HIS  45           HE1      HIS  45  -5.143  -1.676   0.022
  346    HE2  HIS  45           HE2      HIS  45  -6.488  -3.384   1.296
  347    H    GLU  46           HN       GLU  46  -0.469  -5.434   4.251
  348    HA   GLU  46           HA       GLU  46   2.279  -4.622   4.451
  349   1HB   GLU  46           HBR      GLU  46   2.489  -6.664   5.723
  350   2HB   GLU  46           HBS      GLU  46   1.191  -5.705   6.182
  351   1HG   GLU  46           HGR      GLU  46  -0.274  -7.255   4.547
  352   2HG   GLU  46           HGS      GLU  46   1.091  -8.360   4.862
  353    H    GLY  47           HN       GLY  47   2.754  -4.453   2.158
  354   1HA   GLY  47           HAR      GLY  47   4.153  -6.436   0.828
  355   2HA   GLY  47           HAS      GLY  47   2.446  -6.749   0.415
  356    H    LYS  48           HN       LYS  48   1.391  -4.217   0.282
  357    HA   LYS  48           HA       LYS  48   2.777  -2.839  -1.909
  358   1HB   LYS  48           HBR      LYS  48   0.613  -3.387  -3.323
  359   2HB   LYS  48           HBS      LYS  48   2.059  -4.436  -3.372
  360   1HG   LYS  48           HGS      LYS  48   0.472  -5.414  -1.248
  361   2HG   LYS  48           HGR      LYS  48  -0.659  -5.072  -2.589
  362   1HD   LYS  48           HDS      LYS  48   0.039  -7.318  -2.813
  363   2HD   LYS  48           HDR      LYS  48   0.804  -6.390  -4.074
  364   1HE   LYS  48           HER      LYS  48   2.578  -7.602  -3.431
  365   2HE   LYS  48           HES      LYS  48   2.776  -6.215  -2.323
  366   1HZ   LYS  48           HZA      LYS  48   1.376  -7.619  -0.768
  367   2HZ   LYS  48           HZB      LYS  48   1.741  -8.884  -1.735
  368   3HZ   LYS  48           HZC      LYS  48   2.934  -8.059  -0.983
  369    HA   PRO  49           HA       PRO  49  -0.162   0.294  -0.789
  370   1HB   PRO  49           HBR      PRO  49   0.472   1.945  -2.778
  371   2HB   PRO  49           HBS      PRO  49   1.211   1.939  -1.312
  372   1HG   PRO  49           HGS      PRO  49   2.240   1.121  -3.744
  373   2HG   PRO  49           HGR      PRO  49   3.060   1.375  -2.315
  374   1HD   PRO  49           HDS      PRO  49   2.322  -1.039  -3.412
  375   2HD   PRO  49           HDR      PRO  49   3.173  -0.788  -2.016
  376    H    TYR  50           HN       TYR  50  -2.143   1.074  -1.338
  377    HA   TYR  50           HA       TYR  50  -3.016   0.566  -4.094
  378   1HB   TYR  50           HBR      TYR  50  -4.685  -0.303  -1.701
  379   2HB   TYR  50           HBS      TYR  50  -5.207  -0.294  -3.410
  380    HD1  TYR  50           HD2      TYR  50  -2.392  -1.667  -1.347
  381    HD2  TYR  50           HD1      TYR  50  -5.281  -2.407  -4.378
  382    HE1  TYR  50           HE2      TYR  50  -1.741  -4.033  -1.377
  383    HE2  TYR  50           HE1      TYR  50  -4.644  -4.781  -4.413
  384    HH   TYR  50           HH       TYR  50  -2.965  -6.185  -3.876
  385    H    CYS  51           HN       CYS  51  -5.230   1.681  -4.380
  386    HA   CYS  51           HA       CYS  51  -5.522   4.254  -3.464
  387   1HB   CYS  51           HBS      CYS  51  -7.719   2.246  -4.019
  388   2HB   CYS  51           HBR      CYS  51  -7.972   3.997  -3.783
  389    H    ASN  52           HN       ASN  52  -5.964   5.268  -1.671
  390    HA   ASN  52           HA       ASN  52  -6.735   4.040   0.791
  391   1HB   ASN  52           HBS      ASN  52  -5.659   6.329   0.417
  392   2HB   ASN  52           HBR      ASN  52  -7.321   6.901   0.096
  393   1HD2  ASN  52           HD2      ASN  52  -7.154   7.666   3.569
  394   2HD2  ASN  52           HD2      ASN  52  -6.942   8.300   1.970
  395    H    HIS  53           HN       HIS  53  -8.524   5.435  -1.919
  396    HA   HIS  53           HA       HIS  53 -10.556   3.430  -1.420
  397   1HB   HIS  53           HBS      HIS  53 -11.321   6.376  -1.383
  398   2HB   HIS  53           HBR      HIS  53 -12.457   5.087  -1.875
  399    HD1  HIS  53           HD1      HIS  53 -13.801   4.081   0.026
  400    HD2  HIS  53           HD2      HIS  53 -10.353   6.013   1.339
  401    HE1  HIS  53           HE1      HIS  53 -13.961   4.192   2.524
  402    HE2  HIS  53           HE2      HIS  53 -11.893   5.387   3.323
  403    HA   PRO  54           HA       PRO  54 -12.618   3.310  -2.206
  404   1HB   PRO  54           HBS      PRO  54 -13.733   1.626  -3.909
  405   2HB   PRO  54           HBR      PRO  54 -14.304   3.148  -3.660
  406   1HG   PRO  54           HGS      PRO  54 -13.113   2.128  -5.919
  407   2HG   PRO  54           HGR      PRO  54 -13.784   3.643  -5.726
  408   1HD   PRO  54           HDR      PRO  54 -11.083   2.907  -5.618
  409   2HD   PRO  54           HDS      PRO  54 -11.722   4.424  -5.786
  410    H    CYS  55           HN       CYS  55 -10.241   1.971  -4.140
  411    HA   CYS  55           HA       CYS  55 -10.846  -0.641  -4.058
  412   1HB   CYS  55           HBS      CYS  55  -8.032   0.476  -4.089
  413   2HB   CYS  55           HBR      CYS  55  -8.533  -1.150  -4.635
  414    H    TYR  56           HN       TYR  56  -8.852   1.022  -1.627
  415    HA   TYR  56           HA       TYR  56  -8.203  -1.296  -0.069
  416   1HB   TYR  56           HBR      TYR  56  -6.984   0.808   0.174
  417   2HB   TYR  56           HBS      TYR  56  -8.466   1.623   0.747
  418    HD1  TYR  56           HD1      TYR  56  -9.410   0.992   2.998
  419    HD2  TYR  56           HD2      TYR  56  -5.647  -0.469   1.656
  420    HE1  TYR  56           HE1      TYR  56  -8.827   0.388   5.308
  421    HE2  TYR  56           HE2      TYR  56  -5.065  -1.105   3.954
  422    HH   TYR  56           HH       TYR  56  -6.381  -1.910   5.893
  423    H    SER  57           HN       SER  57 -10.721   1.230   0.310
  424    HA   SER  57           HA       SER  57 -11.868  -0.344   2.505
  425   1HB   SER  57           HBS      SER  57 -13.154   2.207   1.870
  426   2HB   SER  57           HBR      SER  57 -12.466   1.601   3.405
  427    HG   SER  57           HG       SER  57 -10.973   2.967   3.152
  428    H    ALA  58           HN       ALA  58 -12.202  -0.863  -0.516
  429    HA   ALA  58           HA       ALA  58 -15.148  -1.284  -0.316
  430   1HB   ALA  58           HMB      ALA  58 -13.313  -0.974  -2.701
  431   2HB   ALA  58           HMB      ALA  58 -15.007  -1.517  -2.805
  432   3HB   ALA  58           HMB      ALA  58 -14.629   0.107  -2.175
  433    H    MET  59           HN       MET  59 -12.059  -2.736  -1.366
  434    HA   MET  59           HA       MET  59 -13.384  -5.391  -1.453
  435   1HB   MET  59           HBR      MET  59 -10.728  -4.486  -2.609
  436   2HB   MET  59           HBS      MET  59 -11.433  -6.117  -2.750
  437   1HG   MET  59           HGR      MET  59 -12.949  -3.643  -3.649
  438   2HG   MET  59           HGS      MET  59 -11.773  -4.426  -4.730
  439   1HE   MET  59           HME      MET  59 -14.947  -3.890  -4.691
  440   2HE   MET  59           HME      MET  59 -14.527  -4.717  -6.212
  441   3HE   MET  59           HME      MET  59 -15.831  -5.358  -5.180
  442    H    PHE  60           HN       PHE  60 -11.264  -3.417   0.367
  443    HA   PHE  60           HA       PHE  60 -10.152  -5.781   1.798
  444   1HB   PHE  60           HBR      PHE  60  -8.726  -3.947   0.149
  445   2HB   PHE  60           HBS      PHE  60  -8.308  -3.556   1.842
  446    HD1  PHE  60           HD1      PHE  60  -8.050  -5.728   3.320
  447    HD2  PHE  60           HD2      PHE  60  -7.261  -5.544  -0.864
  448    HE1  PHE  60           HE1      PHE  60  -6.453  -7.574   3.561
  449    HE2  PHE  60           HE2      PHE  60  -5.645  -7.403  -0.646
  450    HZ   PHE  60           HZ       PHE  60  -5.183  -8.356   1.596
  451    H    GLY  61           HN       GLY  61 -12.349  -3.697   2.315
  452   1HA   GLY  61           HAS      GLY  61 -11.265  -1.950   4.393
  453   2HA   GLY  61           HAR      GLY  61 -12.964  -2.050   3.851
  454    HA   PRO  62           HA       PRO  62 -12.373  -4.256   7.997
  455   1HB   PRO  62           HBS      PRO  62 -13.591  -2.077   9.216
  456   2HB   PRO  62           HBR      PRO  62 -12.176  -2.797   9.634
  457   1HG   PRO  62           HGS      PRO  62 -12.428  -0.381   8.545
  458   2HG   PRO  62           HGR      PRO  62 -11.002  -1.245   8.615
  459   1HD   PRO  62           HDS      PRO  62 -12.670  -0.801   6.397
  460   2HD   PRO  62           HDR      PRO  62 -11.083  -1.268   6.415
  461    H    LYS  63           HN       LYS  63 -14.616  -2.798   6.035
  462    HA   LYS  63           HA       LYS  63 -16.804  -3.240   5.554
  463   1HB   LYS  63           HBS      LYS  63 -17.424  -5.528   5.513
  464   2HB   LYS  63           HBR      LYS  63 -15.698  -5.402   5.078
  465   1HG   LYS  63           HGR      LYS  63 -15.049  -6.196   7.297
  466   2HG   LYS  63           HGS      LYS  63 -16.760  -6.237   7.809
  467   1HD   LYS  63           HDS      LYS  63 -16.737  -8.361   7.230
  468   2HD   LYS  63           HDR      LYS  63 -16.890  -7.756   5.602
  469   1HE   LYS  63           HES      LYS  63 -14.286  -7.683   5.628
  470   2HE   LYS  63           HER      LYS  63 -14.483  -8.829   6.985
  471   1HZ   LYS  63           HZA      LYS  63 -15.727  -9.201   4.351
  472   2HZ   LYS  63           HZB      LYS  63 -14.291  -9.856   4.772
  473   3HZ   LYS  63           HZC      LYS  63 -15.650 -10.283   5.572
  474    H    GLY  64           HN       GLY  64 -18.745  -4.803   6.608
  475   1HA   GLY  64           HAR      GLY  64 -19.719  -2.972   8.557
  476   2HA   GLY  64           HAS      GLY  64 -20.562  -4.428   7.966
  477    H    PHE  65           HN       PHE  65 -19.758  -3.033  10.694
  478    HA   PHE  65           HA       PHE  65 -19.765  -3.763  12.850
  479   1HB   PHE  65           HBS      PHE  65 -20.998  -5.924  11.348
  480   2HB   PHE  65           HBR      PHE  65 -20.051  -6.573  12.719
  481    HD1  PHE  65           HD2      PHE  65 -22.206  -3.467  12.323
  482    HD2  PHE  65           HD1      PHE  65 -21.312  -7.040  14.467
  483    HE1  PHE  65           HE2      PHE  65 -24.024  -2.957  13.922
  484    HE2  PHE  65           HE1      PHE  65 -23.111  -6.558  16.062
  485    HZ   PHE  65           HZ       PHE  65 -24.509  -4.549  15.757
  486    H    GLY  66           HN       GLY  66 -18.645  -5.086  14.452
  487   1HA   GLY  66           HAS      GLY  66 -16.781  -7.061  13.967
  488   2HA   GLY  66           HAR      GLY  66 -15.840  -5.550  13.866
  489    H    ARG  67           HN       ARG  67 -18.507  -6.812  15.914
  490    HA   ARG  67           HA       ARG  67 -16.763  -6.380  18.287
  491   1HB   ARG  67           HBR      ARG  67 -18.811  -4.777  18.024
  492   2HB   ARG  67           HBS      ARG  67 -19.759  -6.213  18.507
  493   1HG   ARG  67           HGS      ARG  67 -17.443  -5.666  20.241
  494   2HG   ARG  67           HGR      ARG  67 -18.664  -4.362  20.221
  495   1HD   ARG  67           HDS      ARG  67 -20.124  -6.731  20.344
  496   2HD   ARG  67           HDR      ARG  67 -18.745  -6.970  21.453
  497    HE   ARG  67           HE       ARG  67 -20.781  -4.815  21.650
  498   1HH1  ARG  67           HH1      ARG  67 -17.954  -6.439  22.993
  499   2HH1  ARG  67           HH1      ARG  67 -18.274  -5.895  24.606
  500   1HH2  ARG  67           HH2      ARG  67 -21.237  -4.231  23.792
  501   2HH2  ARG  67           HH2      ARG  67 -20.130  -4.645  25.058
  502    H    GLY  68           HN       GLY  68 -17.219  -7.832  20.045
  503   1HA   GLY  68           HAS      GLY  68 -18.632 -10.342  19.542
  504   2HA   GLY  68           HAR      GLY  68 -16.867 -10.431  19.312
  505    H    GLY  69           HN       GLY  69 -16.031 -11.388  21.030
  506   1HA   GLY  69           HAS      GLY  69 -16.783 -10.483  23.768
  507   2HA   GLY  69           HAR      GLY  69 -16.961 -12.198  23.310
  508    H    ALA  70           HN       ALA  70 -15.090 -13.418  22.777
  509    HA   ALA  70           HA       ALA  70 -12.395 -12.496  23.224
  510   1HB   ALA  70           HMB      ALA  70 -14.091 -13.058  25.525
  511   2HB   ALA  70           HMB      ALA  70 -12.645 -14.100  25.469
  512   3HB   ALA  70           HMB      ALA  70 -12.468 -12.326  25.436
  513    H    GLU  71           HN       GLU  71 -10.913 -14.095  22.883
  514    HA   GLU  71           HA       GLU  71 -11.648 -16.215  21.257
  515   1HB   GLU  71           HBR      GLU  71  -9.349 -16.920  21.506
  516   2HB   GLU  71           HBS      GLU  71  -9.535 -15.271  21.259
  517   1HG   GLU  71           HGR      GLU  71  -8.873 -14.588  23.430
  518   2HG   GLU  71           HGS      GLU  71  -9.314 -16.191  24.077
  519    H    SER  72           HN       SER  72 -12.025 -18.349  21.490
  520    HA   SER  72           HA       SER  72 -13.474 -19.065  23.777
  521   1HB   SER  72           HBR      SER  72 -12.913 -21.485  22.576
  522   2HB   SER  72           HBS      SER  72 -14.269 -20.385  22.195
  523    HG   SER  72           HG       SER  72 -11.615 -20.531  21.021
  524    H    HIS  73           HN       HIS  73 -13.014 -19.966  25.639
  525    HA   HIS  73           HA       HIS  73 -10.291 -21.089  26.030
  526   1HB   HIS  73           HBR      HIS  73 -11.633 -18.964  27.656
  527   2HB   HIS  73           HBS      HIS  73 -10.802 -20.273  28.548
  528    HD1  HIS  73           HD1      HIS  73  -8.283 -20.702  26.844
  529    HD2  HIS  73           HD2      HIS  73  -9.855 -16.943  27.713
  530    HE1  HIS  73           HE1      HIS  73  -6.366 -19.093  26.734
  531    HE2  HIS  73           HE2      HIS  73  -7.306 -16.819  27.281
  532    H    THR  74           HN       THR  74 -13.340 -20.698  27.874
  533    HA   THR  74           HA       THR  74 -13.372 -23.624  28.365
  534    HB   THR  74           HB       THR  74 -15.008 -21.351  29.625
  535    HG1  THR  74           HG1      THR  74 -13.190 -23.177  30.490
  536   1HG2  THR  74           HMG      THR  74 -15.904 -23.927  29.369
  537   2HG2  THR  74           HMG      THR  74 -15.095 -23.965  30.955
  538   3HG2  THR  74           HMG      THR  74 -16.386 -22.776  30.642
  539    H    PHE  75           HN       PHE  75 -14.940 -24.910  27.594
  540    HA   PHE  75           HA       PHE  75 -16.301 -23.826  25.234
  541   1HB   PHE  75           HBR      PHE  75 -14.886 -25.901  25.067
  542   2HB   PHE  75           HBS      PHE  75 -16.087 -26.743  26.088
  543    HD1  PHE  75           HD2      PHE  75 -15.627 -25.094  22.743
  544    HD2  PHE  75           HD1      PHE  75 -18.134 -27.411  25.294
  545    HE1  PHE  75           HE2      PHE  75 -17.040 -25.690  20.802
  546    HE2  PHE  75           HE1      PHE  75 -19.550 -28.020  23.385
  547    HZ   PHE  75           HZ       PHE  75 -18.971 -27.211  21.128
  548    H    LYS  76           HN       LYS  76 -18.447 -24.055  24.763
  549    HA   LYS  76           HA       LYS  76 -20.133 -23.437  26.917
  550   1HB   LYS  76           HBR      LYS  76 -21.269 -24.508  24.349
  551   2HB   LYS  76           HBS      LYS  76 -21.835 -23.168  25.387
  552   1HG   LYS  76           HGR      LYS  76 -19.482 -23.169  23.462
  553   2HG   LYS  76           HGS      LYS  76 -20.985 -22.207  23.358
  554   1HD   LYS  76           HDS      LYS  76 -18.767 -21.915  25.382
  555   2HD   LYS  76           HDR      LYS  76 -19.144 -20.847  24.059
  556   1HE   LYS  76           HES      LYS  76 -21.280 -21.401  26.064
  557   2HE   LYS  76           HER      LYS  76 -19.931 -20.306  26.481
  558   1HZ   LYS  76           HZC      LYS  76 -20.546 -19.299  24.197
  559   2HZ   LYS  76           HZA      LYS  76 -22.005 -19.980  24.477
  560   3HZ   LYS  76           HZB      LYS  76 -21.396 -18.890  25.530
   
  No H/Q in entry =         560
  Start of MODEL   20
    1    H    PRO   1           HN       PRO   1  15.749   4.028   3.928
    2    HA   PRO   1           HA       PRO   1  15.661   1.890   5.008
    3   1HB   PRO   1           HBS      PRO   1  12.881   1.717   5.117
    4   2HB   PRO   1           HBR      PRO   1  13.952   1.436   6.328
    5   1HG   PRO   1           HGR      PRO   1  12.361   3.645   5.970
    6   2HG   PRO   1           HGS      PRO   1  13.408   3.331   7.229
    7   1HD   PRO   1           HDS      PRO   1  13.766   5.209   5.330
    8   2HD   PRO   1           HDR      PRO   1  14.921   4.682   6.391
    9    H    LYS   2           HN       LYS   2  13.570   0.145   4.200
   10    HA   LYS   2           HA       LYS   2  14.378   0.058   1.329
   11   1HB   LYS   2           HBS      LYS   2  13.806  -2.410   2.935
   12   2HB   LYS   2           HBR      LYS   2  14.860  -2.179   1.512
   13   1HG   LYS   2           HGR      LYS   2  16.514  -2.370   3.054
   14   2HG   LYS   2           HGS      LYS   2  16.167  -0.635   3.321
   15   1HD   LYS   2           HDR      LYS   2  15.874  -1.105   5.423
   16   2HD   LYS   2           HDS      LYS   2  14.347  -1.812   4.971
   17   1HE   LYS   2           HER      LYS   2  15.240  -3.995   4.971
   18   2HE   LYS   2           HES      LYS   2  16.921  -3.391   5.000
   19   1HZ   LYS   2           HZA      LYS   2  16.155  -2.350   7.194
   20   2HZ   LYS   2           HZB      LYS   2  14.967  -3.470   7.158
   21   3HZ   LYS   2           HZC      LYS   2  16.531  -3.939   7.161
   22    H    CYS   3           HN       CYS   3  13.004  -1.095  -0.099
   23    HA   CYS   3           HA       CYS   3  10.439  -0.042   0.189
   24   1HB   CYS   3           HBS      CYS   3  11.894  -0.323  -1.870
   25   2HB   CYS   3           HBR      CYS   3  11.289  -2.003  -1.935
   26    HA   PRO   4           HA       PRO   4   8.183  -3.561   1.797
   27   1HB   PRO   4           HBR      PRO   4   5.886  -2.078   1.709
   28   2HB   PRO   4           HBS      PRO   4   6.744  -2.477   3.051
   29   1HG   PRO   4           HGS      PRO   4   6.474  -0.013   2.051
   30   2HG   PRO   4           HGR      PRO   4   7.563  -0.466   3.232
   31   1HD   PRO   4           HDS      PRO   4   8.028  -0.027   0.477
   32   2HD   PRO   4           HDR      PRO   4   9.097   0.098   1.733
   33    H    LYS   5           HN       LYS   5   8.111  -1.982  -1.089
   34    HA   LYS   5           HA       LYS   5   5.888  -3.571  -2.229
   35   1HB   LYS   5           HBR      LYS   5   6.891  -1.028  -2.795
   36   2HB   LYS   5           HBS      LYS   5   7.505  -2.058  -4.121
   37   1HG   LYS   5           HGS      LYS   5   4.743  -2.702  -3.659
   38   2HG   LYS   5           HGR      LYS   5   4.902  -0.929  -3.803
   39   1HD   LYS   5           HDR      LYS   5   5.960  -1.151  -5.927
   40   2HD   LYS   5           HDS      LYS   5   6.119  -2.879  -5.769
   41   1HE   LYS   5           HER      LYS   5   3.758  -3.190  -5.972
   42   2HE   LYS   5           HES      LYS   5   3.465  -1.430  -5.867
   43   1HZ   LYS   5           HZB      LYS   5   5.224  -1.797  -7.921
   44   2HZ   LYS   5           HZC      LYS   5   4.118  -2.982  -8.114
   45   3HZ   LYS   5           HZA      LYS   5   3.640  -1.422  -8.044
   46    H    CYS   6           HN       CYS   6   9.136  -2.745  -3.469
   47    HA   CYS   6           HA       CYS   6   9.020  -5.275  -4.930
   48   1HB   CYS   6           HBS      CYS   6  10.820  -4.377  -6.287
   49   2HB   CYS   6           HBR      CYS   6   9.415  -3.281  -6.186
   50    H    ASP   7           HN       ASP   7  10.509  -4.110  -2.110
   51    HA   ASP   7           HA       ASP   7  12.129  -4.879  -0.737
   52   1HB   ASP   7           HBR      ASP   7  11.223  -7.221  -2.120
   53   2HB   ASP   7           HBS      ASP   7  12.975  -7.333  -1.783
   54    H    LYS   8           HN       LYS   8  12.903  -3.020  -2.407
   55    HA   LYS   8           HA       LYS   8  15.763  -3.815  -2.666
   56   1HB   LYS   8           HBS      LYS   8  14.194  -2.374  -4.566
   57   2HB   LYS   8           HBR      LYS   8  15.327  -1.225  -3.797
   58   1HG   LYS   8           HGR      LYS   8  17.171  -2.913  -4.308
   59   2HG   LYS   8           HGS      LYS   8  15.976  -3.765  -5.326
   60   1HD   LYS   8           HDR      LYS   8  17.086  -2.477  -6.834
   61   2HD   LYS   8           HDS      LYS   8  15.625  -1.575  -6.537
   62   1HE   LYS   8           HES      LYS   8  17.140   0.122  -6.418
   63   2HE   LYS   8           HER      LYS   8  17.166  -0.408  -4.712
   64   1HZ   LYS   8           HZA      LYS   8  19.025  -1.910  -5.487
   65   2HZ   LYS   8           HZB      LYS   8  19.116  -0.965  -6.816
   66   3HZ   LYS   8           HZC      LYS   8  19.365  -0.320  -5.337
   67    H    GLU   9           HN       GLU   9  16.904  -1.375  -2.481
   68    HA   GLU   9           HA       GLU   9  15.793  -0.161   0.020
   69   1HB   GLU   9           HBS      GLU   9  18.196   0.930  -0.235
   70   2HB   GLU   9           HBR      GLU   9  17.832  -0.326   0.807
   71   1HG   GLU   9           HGR      GLU   9  19.953  -0.794  -0.485
   72   2HG   GLU   9           HGS      GLU   9  18.672  -1.967  -0.890
   73    H    VAL  10           HN       VAL  10  15.649   2.063   0.138
   74    HA   VAL  10           HA       VAL  10  14.990   3.096  -2.542
   75    HB   VAL  10           HB       VAL  10  13.767   3.408   0.197
   76   1HG1  VAL  10           HMG      VAL  10  13.704   5.594  -1.114
   77   2HG1  VAL  10           HMG      VAL  10  12.632   4.750  -2.258
   78   3HG1  VAL  10           HMG      VAL  10  12.149   4.933  -0.555
   79   1HG2  VAL  10           HMG      VAL  10  13.430   1.473  -1.674
   80   2HG2  VAL  10           HMG      VAL  10  12.235   1.930  -0.441
   81   3HG2  VAL  10           HMG      VAL  10  12.108   2.599  -2.085
   82    H    TYR  11           HN       TYR  11  16.014   4.721  -3.371
   83    HA   TYR  11           HA       TYR  11  17.976   6.213  -1.746
   84   1HB   TYR  11           HBR      TYR  11  18.155   5.253  -4.268
   85   2HB   TYR  11           HBS      TYR  11  17.527   6.889  -4.611
   86    HD1  TYR  11           HD2      TYR  11  20.083   5.388  -2.306
   87    HD2  TYR  11           HD1      TYR  11  19.217   8.395  -5.187
   88    HE1  TYR  11           HE2      TYR  11  22.339   6.308  -2.012
   89    HE2  TYR  11           HE1      TYR  11  21.482   9.308  -4.922
   90    HH   TYR  11           HH       TYR  11  23.183   8.909  -2.243
   91    H    PHE  12           HN       PHE  12  18.031   8.542  -1.865
   92    HA   PHE  12           HA       PHE  12  15.810   9.320  -0.523
   93   1HB   PHE  12           HBS      PHE  12  18.257  10.462  -0.835
   94   2HB   PHE  12           HBR      PHE  12  17.249  11.628  -1.741
   95    HD1  PHE  12           HD1      PHE  12  15.382  12.709  -0.690
   96    HD2  PHE  12           HD2      PHE  12  18.158  10.443   1.615
   97    HE1  PHE  12           HE1      PHE  12  14.530  13.777   1.347
   98    HE2  PHE  12           HE2      PHE  12  17.322  11.511   3.683
   99    HZ   PHE  12           HZ       PHE  12  15.455  13.135   3.541
  100    H    ALA  13           HN       ALA  13  16.695  11.117  -3.487
  101    HA   ALA  13           HA       ALA  13  14.224  12.162  -3.830
  102   1HB   ALA  13           HMB      ALA  13  16.623  11.773  -5.549
  103   2HB   ALA  13           HMB      ALA  13  15.130  12.280  -6.376
  104   3HB   ALA  13           HMB      ALA  13  15.802  13.276  -5.061
  105    H    GLU  14           HN       GLU  14  14.916   8.957  -4.361
  106    HA   GLU  14           HA       GLU  14  12.461   8.660  -6.037
  107   1HB   GLU  14           HBR      GLU  14  13.313   6.321  -6.409
  108   2HB   GLU  14           HBS      GLU  14  13.995   7.597  -7.258
  109   1HG   GLU  14           HGS      GLU  14  15.552   7.367  -4.909
  110   2HG   GLU  14           HGR      GLU  14  15.450   5.728  -5.609
  111    H    ARG  15           HN       ARG  15  12.448   9.411  -3.363
  112    HA   ARG  15           HA       ARG  15  11.444   6.935  -2.082
  113   1HB   ARG  15           HBR      ARG  15  11.631   8.036   0.000
  114   2HB   ARG  15           HBS      ARG  15  13.131   8.372  -0.907
  115   1HG   ARG  15           HGR      ARG  15  12.177  10.625  -1.490
  116   2HG   ARG  15           HGS      ARG  15  10.823  10.269  -0.381
  117   1HD   ARG  15           HDR      ARG  15  13.733  10.202   0.408
  118   2HD   ARG  15           HDS      ARG  15  12.670  11.623   0.598
  119    HE   ARG  15           HE       ARG  15  11.241   9.805   1.917
  120   1HH1  ARG  15           HH1      ARG  15  14.759  10.036   1.880
  121   2HH1  ARG  15           HH1      ARG  15  14.915   9.593   3.546
  122   1HH2  ARG  15           HH2      ARG  15  11.478   9.355   4.126
  123   2HH2  ARG  15           HH2      ARG  15  13.058   9.204   4.818
  124    H    VAL  16           HN       VAL  16   9.442   6.751  -1.186
  125    HA   VAL  16           HA       VAL  16   7.917   9.184  -0.829
  126    HB   VAL  16           HB       VAL  16   5.802   8.414  -1.573
  127   1HG1  VAL  16           HMG      VAL  16   7.911   8.015  -3.705
  128   2HG1  VAL  16           HMG      VAL  16   6.163   8.120  -4.031
  129   3HG1  VAL  16           HMG      VAL  16   7.018   9.503  -3.304
  130   1HG2  VAL  16           HMG      VAL  16   5.958   6.055  -1.044
  131   2HG2  VAL  16           HMG      VAL  16   5.431   6.287  -2.728
  132   3HG2  VAL  16           HMG      VAL  16   7.108   5.805  -2.379
  133    H    THR  17           HN       THR  17   6.676   9.144   1.027
  134    HA   THR  17           HA       THR  17   7.447   6.912   2.847
  135    HB   THR  17           HB       THR  17   6.837   9.803   3.691
  136    HG1  THR  17           HG1      THR  17   8.758  10.085   3.835
  137   1HG2  THR  17           HMG      THR  17   7.482   7.319   5.155
  138   2HG2  THR  17           HMG      THR  17   8.396   8.767   5.648
  139   3HG2  THR  17           HMG      THR  17   6.614   8.783   5.684
  140    H    SER  18           HN       SER  18   5.929   5.924   4.008
  141    HA   SER  18           HA       SER  18   3.142   6.565   3.974
  142   1HB   SER  18           HBS      SER  18   3.209   4.304   2.232
  143   2HB   SER  18           HBR      SER  18   2.442   5.899   1.991
  144    HG   SER  18           HG       SER  18   4.044   6.679   0.885
  145    H    LEU  19           HN       LEU  19   2.210   5.428   5.486
  146    HA   LEU  19           HA       LEU  19   2.015   4.033   7.293
  147   1HB   LEU  19           HBR      LEU  19   3.063   2.142   5.165
  148   2HB   LEU  19           HBS      LEU  19   2.253   1.654   6.681
  149    HG   LEU  19           HG       LEU  19   0.672   1.458   4.922
  150   1HD1  LEU  19           HMD      LEU  19   0.225   2.974   7.141
  151   2HD1  LEU  19           HMD      LEU  19  -0.238   4.114   5.852
  152   3HD1  LEU  19           HMD      LEU  19  -1.029   2.521   5.959
  153   1HD2  LEU  19           HMD      LEU  19   1.985   2.980   3.398
  154   2HD2  LEU  19           HMD      LEU  19   0.216   3.189   3.337
  155   3HD2  LEU  19           HMD      LEU  19   1.222   4.359   4.230
  156    H    GLY  20           HN       GLY  20   4.511   5.509   7.082
  157   1HA   GLY  20           HAR      GLY  20   6.121   5.819   8.691
  158   2HA   GLY  20           HAS      GLY  20   5.544   4.316   9.461
  159    H    LYS  21           HN       LYS  21   6.415   4.049   6.142
  160    HA   LYS  21           HA       LYS  21   9.267   3.958   6.533
  161   1HB   LYS  21           HBS      LYS  21   9.591   1.694   5.569
  162   2HB   LYS  21           HBR      LYS  21   8.903   1.685   7.218
  163   1HG   LYS  21           HGS      LYS  21   6.613   1.588   5.809
  164   2HG   LYS  21           HGR      LYS  21   7.702   0.814   4.623
  165   1HD   LYS  21           HDS      LYS  21   6.898  -0.978   5.825
  166   2HD   LYS  21           HDR      LYS  21   8.443  -0.660   6.564
  167   1HE   LYS  21           HER      LYS  21   7.549  -0.365   8.538
  168   2HE   LYS  21           HES      LYS  21   6.436   0.885   7.910
  169   1HZ   LYS  21           HZB      LYS  21   5.299  -1.310   7.017
  170   2HZ   LYS  21           HZC      LYS  21   5.974  -1.916   8.374
  171   3HZ   LYS  21           HZA      LYS  21   4.940  -0.654   8.469
  172    H    ASP  22           HN       ASP  22  10.392   3.724   4.487
  173    HA   ASP  22           HA       ASP  22   8.930   5.354   2.623
  174   1HB   ASP  22           HBS      ASP  22  11.795   4.523   2.315
  175   2HB   ASP  22           HBR      ASP  22  10.975   6.011   1.758
  176    H    TRP  23           HN       TRP  23   9.288   5.118   0.250
  177    HA   TRP  23           HA       TRP  23   9.468   2.308  -0.692
  178   1HB   TRP  23           HBR      TRP  23   7.305   4.298  -1.391
  179   2HB   TRP  23           HBS      TRP  23   7.385   2.562  -1.832
  180    HD1  TRP  23           HD1      TRP  23   6.769   4.881   1.198
  181    HE1  TRP  23           HE1      TRP  23   5.126   3.703   2.787
  182    HE3  TRP  23           HE3      TRP  23   6.433   0.431  -1.242
  183    HZ2  TRP  23           HZ2      TRP  23   3.786   1.242   2.895
  184    HZ3  TRP  23           HZ3      TRP  23   4.974  -1.308  -0.317
  185    HH2  TRP  23           HH2      TRP  23   3.586  -0.879   1.644
  186    H    HIS  24           HN       ZHI  24   9.266   2.342  -3.186
  187    HA   HIS  24           HA       ZHI  24  10.767   4.603  -4.322
  188   1HB   HIS  24           HBS      ZHI  24   9.808   2.061  -5.713
  189   2HB   HIS  24           HBR      ZHI  24  10.916   3.296  -6.376
  190    HD2  HIS  24           HD2      ZHI  24  13.097   3.611  -4.143
  191    HE1  HIS  24           HE1      ZHI  24  13.026  -0.491  -3.347
  192    HE2  HIS  24           HE2      ZHI  24  14.474   1.570  -3.342
  193    H    ARG  25           HN       ARG  25  10.070   5.907  -5.960
  194    HA   ARG  25           HA       ARG  25   7.441   6.869  -5.537
  195   1HB   ARG  25           HBS      ARG  25   9.691   7.939  -6.609
  196   2HB   ARG  25           HBR      ARG  25   8.761   7.592  -8.096
  197   1HG   ARG  25           HGS      ARG  25   7.222   9.203  -7.675
  198   2HG   ARG  25           HGR      ARG  25   7.295   8.971  -5.905
  199   1HD   ARG  25           HDS      ARG  25   9.169  10.301  -5.680
  200   2HD   ARG  25           HDR      ARG  25   9.606  10.148  -7.406
  201    HE   ARG  25           HE       ARG  25   7.113  11.572  -6.717
  202   1HH1  ARG  25           HH1      ARG  25  10.534  11.820  -7.533
  203   2HH1  ARG  25           HH1      ARG  25  10.359  13.382  -8.260
  204   1HH2  ARG  25           HH2      ARG  25   6.900  13.556  -7.793
  205   2HH2  ARG  25           HH2      ARG  25   8.303  14.366  -8.406
  206    HA   PRO  26           HA       PRO  26   6.547   4.844  -9.862
  207   1HB   PRO  26           HBR      PRO  26   8.417   2.795 -10.162
  208   2HB   PRO  26           HBS      PRO  26   8.031   3.978 -11.232
  209   1HG   PRO  26           HGS      PRO  26  10.314   3.831  -9.894
  210   2HG   PRO  26           HGR      PRO  26   9.751   5.201 -10.663
  211   1HD   PRO  26           HDS      PRO  26   9.825   4.647  -7.912
  212   2HD   PRO  26           HDR      PRO  26   9.666   6.112  -8.660
  213    H    CYS  27           HN       CYS  27   7.752   2.972  -7.255
  214    HA   CYS  27           HA       CYS  27   6.306   0.633  -7.808
  215   1HB   CYS  27           HBS      CYS  27   7.724   1.756  -5.440
  216   2HB   CYS  27           HBR      CYS  27   6.602   0.390  -5.176
  217    H    LEU  28           HN       LEU  28   5.478   3.434  -5.779
  218    HA   LEU  28           HA       LEU  28   3.435   2.184  -4.312
  219   1HB   LEU  28           HBR      LEU  28   4.796   4.336  -3.947
  220   2HB   LEU  28           HBS      LEU  28   3.548   5.132  -4.947
  221    HG   LEU  28           HG       LEU  28   1.856   4.257  -3.261
  222   1HD1  LEU  28           HMD      LEU  28   4.197   3.020  -2.227
  223   2HD1  LEU  28           HMD      LEU  28   3.694   4.269  -1.059
  224   3HD1  LEU  28           HMD      LEU  28   2.547   3.000  -1.558
  225   1HD2  LEU  28           HMD      LEU  28   3.711   6.473  -3.231
  226   2HD2  LEU  28           HMD      LEU  28   1.990   6.428  -2.776
  227   3HD2  LEU  28           HMD      LEU  28   3.240   6.035  -1.569
  228    H    LYS  29           HN       LYS  29   2.120   1.009  -5.688
  229    HA   LYS  29           HA       LYS  29   0.360   2.561  -7.527
  230   1HB   LYS  29           HBS      LYS  29   2.273   1.603  -8.762
  231   2HB   LYS  29           HBR      LYS  29   1.832  -0.020  -8.159
  232   1HG   LYS  29           HGR      LYS  29   0.134  -0.254  -9.644
  233   2HG   LYS  29           HGS      LYS  29  -0.346   1.464  -9.527
  234   1HD   LYS  29           HDS      LYS  29   0.706   1.985 -11.380
  235   2HD   LYS  29           HDR      LYS  29   2.199   1.329 -10.765
  236   1HE   LYS  29           HES      LYS  29   1.188  -0.981 -11.420
  237   2HE   LYS  29           HER      LYS  29   0.132   0.018 -12.459
  238   1HZ   LYS  29           HZA      LYS  29   2.999   0.476 -12.523
  239   2HZ   LYS  29           HZB      LYS  29   2.405  -0.828 -13.306
  240   3HZ   LYS  29           HZC      LYS  29   1.888   0.668 -13.705
  241    H    CYS  30           HN       CYS  30  -1.663   1.776  -7.827
  242    HA   CYS  30           HA       CYS  30  -2.760  -0.264  -6.098
  243   1HB   CYS  30           HBS      CYS  30  -3.902   1.775  -7.271
  244   2HB   CYS  30           HBR      CYS  30  -4.097   0.619  -8.620
  245    H    GLU  31           HN       GLU  31  -2.522  -2.337  -6.297
  246    HA   GLU  31           HA       GLU  31  -2.218  -3.563  -9.003
  247   1HB   GLU  31           HBS      GLU  31  -1.770  -5.566  -7.702
  248   2HB   GLU  31           HBR      GLU  31  -0.563  -4.403  -7.614
  249   1HG   GLU  31           HGS      GLU  31  -1.321  -3.735  -5.366
  250   2HG   GLU  31           HGR      GLU  31  -2.745  -4.808  -5.463
  251    H    LYS  32           HN       LYS  32  -4.611  -2.250  -7.874
  252    HA   LYS  32           HA       LYS  32  -6.450  -4.600  -7.960
  253   1HB   LYS  32           HBS      LYS  32  -6.493  -2.818  -5.981
  254   2HB   LYS  32           HBR      LYS  32  -7.422  -1.881  -7.184
  255   1HG   LYS  32           HGR      LYS  32  -8.927  -3.140  -5.720
  256   2HG   LYS  32           HGS      LYS  32  -9.021  -3.754  -7.395
  257   1HD   LYS  32           HDS      LYS  32  -7.214  -5.451  -6.572
  258   2HD   LYS  32           HDR      LYS  32  -7.779  -5.007  -4.984
  259   1HE   LYS  32           HES      LYS  32  -9.357  -6.536  -5.189
  260   2HE   LYS  32           HER      LYS  32 -10.118  -5.452  -6.387
  261   1HZ   LYS  32           HZA      LYS  32  -8.031  -6.965  -7.523
  262   2HZ   LYS  32           HZB      LYS  32  -9.147  -7.945  -6.846
  263   3HZ   LYS  32           HZC      LYS  32  -9.596  -6.856  -7.976
  264    H    CYS  33           HN       CYS  33  -6.305  -1.112  -8.800
  265    HA   CYS  33           HA       CYS  33  -7.676  -1.795 -11.313
  266   1HB   CYS  33           HBS      CYS  33  -8.316   0.512 -11.438
  267   2HB   CYS  33           HBR      CYS  33  -8.723  -0.193  -9.850
  268    H    GLY  34           HN       GLY  34  -4.561  -0.958 -10.201
  269   1HA   GLY  34           HAR      GLY  34  -2.582  -0.669 -11.354
  270   2HA   GLY  34           HAS      GLY  34  -3.496  -0.819 -12.878
  271    H    LYS  35           HN       LYS  35  -3.943   1.494 -10.197
  272    HA   LYS  35           HA       LYS  35  -3.020   3.690 -11.995
  273   1HB   LYS  35           HBR      LYS  35  -5.234   3.529 -10.032
  274   2HB   LYS  35           HBS      LYS  35  -4.214   4.992  -9.935
  275   1HG   LYS  35           HGR      LYS  35  -5.812   3.988 -12.318
  276   2HG   LYS  35           HGS      LYS  35  -6.065   5.489 -11.379
  277   1HD   LYS  35           HDS      LYS  35  -3.779   6.220 -12.123
  278   2HD   LYS  35           HDR      LYS  35  -3.745   4.835 -13.179
  279   1HE   LYS  35           HER      LYS  35  -6.202   6.286 -13.536
  280   2HE   LYS  35           HES      LYS  35  -4.785   7.352 -13.756
  281   1HZ   LYS  35           HZC      LYS  35  -4.763   4.742 -15.019
  282   2HZ   LYS  35           HZA      LYS  35  -5.696   5.905 -15.686
  283   3HZ   LYS  35           HZB      LYS  35  -4.090   6.143 -15.516
  284    H    THR  36           HN       THR  36  -1.079   4.376 -11.524
  285    HA   THR  36           HA       THR  36   0.333   3.939  -9.060
  286    HB   THR  36           HB       THR  36   0.842   6.129 -11.150
  287    HG1  THR  36           HG1      THR  36   1.910   4.854 -12.131
  288   1HG2  THR  36           HMG      THR  36   2.710   4.758  -9.199
  289   2HG2  THR  36           HMG      THR  36   3.196   5.911 -10.468
  290   3HG2  THR  36           HMG      THR  36   2.152   6.449  -9.129
  291    H    LEU  37           HN       LEU  37   1.046   5.688  -7.639
  292    HA   LEU  37           HA       LEU  37  -1.263   7.460  -7.001
  293   1HB   LEU  37           HBR      LEU  37   0.321   5.835  -5.012
  294   2HB   LEU  37           HBS      LEU  37  -1.283   6.599  -4.824
  295    HG   LEU  37           HG       LEU  37  -0.876   4.350  -6.778
  296   1HD1  LEU  37           HMD      LEU  37  -0.150   3.976  -4.204
  297   2HD1  LEU  37           HMD      LEU  37  -1.907   3.721  -4.064
  298   3HD1  LEU  37           HMD      LEU  37  -0.951   2.729  -5.192
  299   1HD2  LEU  37           HMD      LEU  37  -2.925   5.924  -6.527
  300   2HD2  LEU  37           HMD      LEU  37  -3.197   4.165  -6.619
  301   3HD2  LEU  37           HMD      LEU  37  -3.256   4.995  -5.043
  302    H    THR  38           HN       THR  38  -0.856   9.304  -5.814
  303    HA   THR  38           HA       THR  38   1.880  10.382  -6.049
  304    HB   THR  38           HB       THR  38  -0.196  11.755  -6.683
  305    HG1  THR  38           HG1      THR  38   1.444  12.610  -6.562
  306   1HG2  THR  38           HMG      THR  38  -0.587  11.703  -3.692
  307   2HG2  THR  38           HMG      THR  38  -1.141  13.069  -4.695
  308   3HG2  THR  38           HMG      THR  38  -1.783  11.432  -4.987
  309    H    SER  39           HN       SER  39   1.997  12.064  -3.934
  310    HA   SER  39           HA       SER  39   2.785  10.123  -1.911
  311   1HB   SER  39           HBR      SER  39   4.390  11.760  -2.776
  312   2HB   SER  39           HBS      SER  39   3.374  13.086  -2.141
  313    HG   SER  39           HG       SER  39   4.266  10.874  -0.515
  314    H    GLY  40           HN       GLY  40  -0.047  10.767  -2.134
  315   1HA   GLY  40           HAR      GLY  40  -0.663  10.249   0.443
  316   2HA   GLY  40           HAS      GLY  40  -0.781  12.029   0.410
  317    H    GLY  41           HN       GLY  41  -1.596   9.476  -1.971
  318   1HA   GLY  41           HAR      GLY  41  -4.493   9.999  -1.483
  319   2HA   GLY  41           HAS      GLY  41  -3.848  10.015  -3.144
  320    H    HIS  42           HN       HIS  42  -2.023   7.810  -1.445
  321    HA   HIS  42           HA       HIS  42  -3.702   5.599  -2.362
  322   1HB   HIS  42           HBS      HIS  42  -1.676   4.272  -2.366
  323   2HB   HIS  42           HBR      HIS  42  -1.362   5.837  -3.171
  324    HD1  HIS  42           HD1      HIS  42   0.329   3.620  -0.970
  325    HD2  HIS  42           HD2      HIS  42  -0.235   7.745  -1.104
  326    HE1  HIS  42           HE1      HIS  42   2.283   4.640   0.222
  327    HE2  HIS  42           HE2      HIS  42   1.903   7.131   0.218
  328    H    ALA  43           HN       ALA  43  -2.814   3.460  -1.047
  329    HA   ALA  43           HA       ALA  43  -2.501   3.895   1.766
  330   1HB   ALA  43           HMB      ALA  43  -4.959   3.980   1.661
  331   2HB   ALA  43           HMB      ALA  43  -4.973   2.371   0.895
  332   3HB   ALA  43           HMB      ALA  43  -4.368   2.560   2.559
  333    H    GLU  44           HN       GLU  44  -2.622   1.504   2.809
  334    HA   GLU  44           HA       GLU  44  -0.958  -0.221   1.022
  335   1HB   GLU  44           HBS      GLU  44  -0.369   1.489   3.268
  336   2HB   GLU  44           HBR      GLU  44   0.129  -0.072   3.633
  337   1HG   GLU  44           HGS      GLU  44   2.027   0.942   2.658
  338   2HG   GLU  44           HGR      GLU  44   1.390   0.018   1.269
  339    H    HIS  45           HN       HIS  45  -1.820  -2.155   1.018
  340    HA   HIS  45           HA       HIS  45  -2.880  -3.464   3.430
  341   1HB   HIS  45           HBS      HIS  45  -2.003  -4.786   0.830
  342   2HB   HIS  45           HBR      HIS  45  -3.012  -5.479   2.132
  343    HD1  HIS  45           HD1      HIS  45  -3.323  -2.245   0.032
  344    HD2  HIS  45           HD2      HIS  45  -5.611  -5.374   1.548
  345    HE1  HIS  45           HE1      HIS  45  -5.666  -1.857  -0.766
  346    HE2  HIS  45           HE2      HIS  45  -7.057  -3.750   0.147
  347    H    GLU  46           HN       GLU  46  -1.593  -5.859   3.360
  348    HA   GLU  46           HA       GLU  46   0.631  -5.322   4.974
  349   1HB   GLU  46           HBS      GLU  46  -0.974  -7.346   4.409
  350   2HB   GLU  46           HBR      GLU  46   0.313  -7.902   3.485
  351   1HG   GLU  46           HGS      GLU  46   0.876  -8.909   5.478
  352   2HG   GLU  46           HGR      GLU  46   1.661  -7.352   5.854
  353    H    GLY  47           HN       GLY  47   2.035  -3.931   3.900
  354   1HA   GLY  47           HAR      GLY  47   3.808  -3.290   2.579
  355   2HA   GLY  47           HAS      GLY  47   4.196  -5.025   2.442
  356    H    LYS  48           HN       LYS  48   1.251  -3.307   1.393
  357    HA   LYS  48           HA       LYS  48   2.013  -3.512  -1.466
  358   1HB   LYS  48           HBR      LYS  48   0.701  -5.593  -0.302
  359   2HB   LYS  48           HBS      LYS  48  -0.672  -4.544  -0.753
  360   1HG   LYS  48           HGS      LYS  48  -0.434  -5.923  -2.620
  361   2HG   LYS  48           HGR      LYS  48   0.473  -4.457  -3.094
  362   1HD   LYS  48           HDS      LYS  48   1.758  -6.333  -3.746
  363   2HD   LYS  48           HDR      LYS  48   2.546  -5.581  -2.384
  364   1HE   LYS  48           HER      LYS  48   1.121  -7.332  -1.013
  365   2HE   LYS  48           HES      LYS  48   1.211  -8.224  -2.558
  366   1HZ   LYS  48           HZA      LYS  48   3.690  -7.098  -1.714
  367   2HZ   LYS  48           HZB      LYS  48   3.104  -8.211  -0.672
  368   3HZ   LYS  48           HZC      LYS  48   3.353  -8.608  -2.237
  369    HA   PRO  49           HA       PRO  49  -0.207   0.320  -1.016
  370   1HB   PRO  49           HBR      PRO  49   0.797   1.371  -3.257
  371   2HB   PRO  49           HBS      PRO  49   1.443   1.574  -1.760
  372   1HG   PRO  49           HGS      PRO  49   2.377  -0.028  -3.849
  373   2HG   PRO  49           HGR      PRO  49   3.224   0.575  -2.545
  374   1HD   PRO  49           HDS      PRO  49   2.392  -1.966  -2.813
  375   2HD   PRO  49           HDR      PRO  49   2.925  -1.277  -1.408
  376    H    TYR  50           HN       TYR  50  -2.005   1.264  -1.818
  377    HA   TYR  50           HA       TYR  50  -2.948   0.343  -4.419
  378   1HB   TYR  50           HBR      TYR  50  -4.544  -0.156  -1.883
  379   2HB   TYR  50           HBS      TYR  50  -5.263  -0.110  -3.518
  380    HD1  TYR  50           HD1      TYR  50  -2.461  -1.839  -1.680
  381    HD2  TYR  50           HD2      TYR  50  -5.627  -2.149  -4.505
  382    HE1  TYR  50           HE1      TYR  50  -2.115  -4.270  -1.792
  383    HE2  TYR  50           HE2      TYR  50  -5.304  -4.579  -4.611
  384    HH   TYR  50           HH       TYR  50  -4.092  -6.319  -2.346
  385    H    CYS  51           HN       CYS  51  -5.208   1.511  -4.760
  386    HA   CYS  51           HA       CYS  51  -5.319   4.235  -4.232
  387   1HB   CYS  51           HBS      CYS  51  -7.574   2.229  -4.418
  388   2HB   CYS  51           HBR      CYS  51  -7.820   3.993  -4.293
  389    H    ASN  52           HN       ASN  52  -5.617   5.498  -2.566
  390    HA   ASN  52           HA       ASN  52  -6.318   4.623   0.081
  391   1HB   ASN  52           HBR      ASN  52  -5.110   6.750  -0.513
  392   2HB   ASN  52           HBS      ASN  52  -6.694   7.399  -1.025
  393   1HD2  ASN  52           HD2      ASN  52  -7.680   8.295   2.172
  394   2HD2  ASN  52           HD2      ASN  52  -7.966   8.327   0.464
  395    H    HIS  53           HN       HIS  53  -8.096   5.690  -2.766
  396    HA   HIS  53           HA       HIS  53 -10.234   3.912  -1.947
  397   1HB   HIS  53           HBS      HIS  53 -10.794   6.889  -2.256
  398   2HB   HIS  53           HBR      HIS  53 -12.033   5.637  -2.558
  399    HD1  HIS  53           HD1      HIS  53 -13.357   4.919  -0.515
  400    HD2  HIS  53           HD2      HIS  53  -9.813   6.881   0.456
  401    HE1  HIS  53           HE1      HIS  53 -13.453   5.375   1.949
  402    HE2  HIS  53           HE2      HIS  53 -11.315   6.571   2.540
  403    HA   PRO  54           HA       PRO  54 -12.184   3.703  -2.590
  404   1HB   PRO  54           HBS      PRO  54 -13.538   1.921  -4.048
  405   2HB   PRO  54           HBR      PRO  54 -14.035   3.462  -3.773
  406   1HG   PRO  54           HGS      PRO  54 -13.132   2.343  -6.129
  407   2HG   PRO  54           HGR      PRO  54 -13.809   3.853  -5.915
  408   1HD   PRO  54           HDS      PRO  54 -11.141   3.238  -6.268
  409   2HD   PRO  54           HDR      PRO  54 -11.822   4.740  -6.138
  410    H    CYS  55           HN       CYS  55  -9.946   2.070  -4.398
  411    HA   CYS  55           HA       CYS  55 -10.721  -0.530  -4.047
  412   1HB   CYS  55           HBS      CYS  55  -7.873   0.457  -4.363
  413   2HB   CYS  55           HBR      CYS  55  -8.469  -1.195  -4.690
  414    H    TYR  56           HN       TYR  56  -8.527   1.330  -1.949
  415    HA   TYR  56           HA       TYR  56  -8.122  -0.688   0.023
  416   1HB   TYR  56           HBR      TYR  56  -6.806   1.375  -0.036
  417   2HB   TYR  56           HBS      TYR  56  -8.268   2.336   0.332
  418    HD1  TYR  56           HD1      TYR  56  -9.341   2.082   2.611
  419    HD2  TYR  56           HD2      TYR  56  -5.569   0.343   1.695
  420    HE1  TYR  56           HE1      TYR  56  -8.834   1.931   5.011
  421    HE2  TYR  56           HE2      TYR  56  -5.053   0.182   4.087
  422    HH   TYR  56           HH       TYR  56  -6.801  -0.203   6.196
  423    H    SER  57           HN       SER  57 -10.590   1.882  -0.297
  424    HA   SER  57           HA       SER  57 -11.842   1.330   2.221
  425   1HB   SER  57           HBS      SER  57 -11.938   3.453   0.726
  426   2HB   SER  57           HBR      SER  57 -13.301   2.613  -0.069
  427    HG   SER  57           HG       SER  57 -12.878   3.493   2.653
  428    H    ALA  58           HN       ALA  58 -11.898  -0.217  -0.831
  429    HA   ALA  58           HA       ALA  58 -14.471  -1.491  -0.436
  430   1HB   ALA  58           HMB      ALA  58 -12.242  -2.018  -2.421
  431   2HB   ALA  58           HMB      ALA  58 -13.881  -2.712  -2.478
  432   3HB   ALA  58           HMB      ALA  58 -13.652  -0.954  -2.659
  433    H    MET  59           HN       MET  59 -11.047  -2.490  -0.272
  434    HA   MET  59           HA       MET  59 -11.723  -5.126   0.657
  435   1HB   MET  59           HBS      MET  59  -9.386  -3.733  -0.284
  436   2HB   MET  59           HBR      MET  59  -9.012  -4.600   1.233
  437   1HG   MET  59           HGS      MET  59 -10.143  -6.647   0.195
  438   2HG   MET  59           HGR      MET  59 -10.169  -5.738  -1.335
  439   1HE   MET  59           HME      MET  59  -8.662  -8.395   0.117
  440   2HE   MET  59           HME      MET  59  -8.446  -8.362  -1.651
  441   3HE   MET  59           HME      MET  59  -7.026  -8.488  -0.582
  442    H    PHE  60           HN       PHE  60 -10.657  -2.112   2.173
  443    HA   PHE  60           HA       PHE  60 -10.314  -3.494   4.745
  444   1HB   PHE  60           HBR      PHE  60  -9.454  -0.784   3.700
  445   2HB   PHE  60           HBS      PHE  60  -9.495  -1.124   5.454
  446    HD1  PHE  60           HD1      PHE  60  -8.330  -3.168   6.268
  447    HD2  PHE  60           HD2      PHE  60  -7.512  -1.494   2.436
  448    HE1  PHE  60           HE1      PHE  60  -6.144  -4.285   6.270
  449    HE2  PHE  60           HE2      PHE  60  -5.298  -2.597   2.420
  450    HZ   PHE  60           HZ       PHE  60  -4.613  -3.972   4.364
  451    H    GLY  61           HN       GLY  61 -12.399  -3.861   5.409
  452   1HA   GLY  61           HAS      GLY  61 -13.576  -2.918   7.368
  453   2HA   GLY  61           HAR      GLY  61 -13.784  -1.413   6.432
  454    HA   PRO  62           HA       PRO  62 -16.738  -4.828   4.598
  455   1HB   PRO  62           HBS      PRO  62 -16.833  -6.934   6.353
  456   2HB   PRO  62           HBR      PRO  62 -16.377  -6.989   4.778
  457   1HG   PRO  62           HGS      PRO  62 -14.790  -7.330   6.922
  458   2HG   PRO  62           HGR      PRO  62 -14.272  -7.173   5.343
  459   1HD   PRO  62           HDS      PRO  62 -14.186  -5.273   7.406
  460   2HD   PRO  62           HDR      PRO  62 -13.348  -5.281   5.980
  461    H    LYS  63           HN       LYS  63 -16.328  -3.982   7.829
  462    HA   LYS  63           HA       LYS  63 -19.216  -3.953   8.395
  463   1HB   LYS  63           HBR      LYS  63 -17.211  -2.489  10.068
  464   2HB   LYS  63           HBS      LYS  63 -18.694  -3.367  10.541
  465   1HG   LYS  63           HGR      LYS  63 -15.994  -4.546   9.789
  466   2HG   LYS  63           HGS      LYS  63 -16.806  -4.597  11.381
  467   1HD   LYS  63           HDS      LYS  63 -17.915  -6.420  10.873
  468   2HD   LYS  63           HDR      LYS  63 -18.555  -5.690   9.429
  469   1HE   LYS  63           HES      LYS  63 -17.450  -7.573   8.645
  470   2HE   LYS  63           HER      LYS  63 -16.332  -6.219   8.322
  471   1HZ   LYS  63           HZC      LYS  63 -16.112  -7.736  10.801
  472   2HZ   LYS  63           HZA      LYS  63 -15.460  -8.330   9.427
  473   3HZ   LYS  63           HZB      LYS  63 -14.967  -6.885  10.007
  474    H    GLY  64           HN       GLY  64 -16.706  -1.426   8.706
  475   1HA   GLY  64           HAS      GLY  64 -16.630   0.777   8.043
  476   2HA   GLY  64           HAR      GLY  64 -17.561   0.219   6.626
  477    H    PHE  65           HN       PHE  65 -18.621   0.079  10.009
  478    HA   PHE  65           HA       PHE  65 -20.817   1.968   9.315
  479   1HB   PHE  65           HBS      PHE  65 -21.323  -0.614   9.983
  480   2HB   PHE  65           HBR      PHE  65 -21.249   0.117  11.613
  481    HD1  PHE  65           HD2      PHE  65 -22.856   0.822   8.241
  482    HD2  PHE  65           HD1      PHE  65 -23.057   1.048  12.492
  483    HE1  PHE  65           HE2      PHE  65 -25.176   1.661   8.080
  484    HE2  PHE  65           HE1      PHE  65 -25.363   1.878  12.359
  485    HZ   PHE  65           HZ       PHE  65 -26.446   2.128  10.158
  486    H    GLY  66           HN       GLY  66 -21.768   2.907  11.402
  487   1HA   GLY  66           HAR      GLY  66 -21.286   3.965  13.543
  488   2HA   GLY  66           HAS      GLY  66 -19.546   3.781  13.195
  489    H    ARG  67           HN       ARG  67 -22.477   5.577  12.518
  490    HA   ARG  67           HA       ARG  67 -22.891   7.607  11.539
  491   1HB   ARG  67           HBR      ARG  67 -20.951   8.463  12.806
  492   2HB   ARG  67           HBS      ARG  67 -19.875   7.954  11.472
  493   1HG   ARG  67           HGS      ARG  67 -20.225  10.294  11.232
  494   2HG   ARG  67           HGR      ARG  67 -21.190   9.489   9.961
  495   1HD   ARG  67           HDS      ARG  67 -23.020   9.579  11.899
  496   2HD   ARG  67           HDR      ARG  67 -22.041  11.000  12.362
  497    HE   ARG  67           HE       ARG  67 -22.555  11.144   9.590
  498   1HH1  ARG  67           HH1      ARG  67 -24.123  11.597  12.715
  499   2HH1  ARG  67           HH1      ARG  67 -25.410  12.546  12.053
  500   1HH2  ARG  67           HH2      ARG  67 -24.324  12.280   8.743
  501   2HH2  ARG  67           HH2      ARG  67 -25.525  12.936   9.806
  502    H    GLY  68           HN       GLY  68 -23.252   8.279   9.484
  503   1HA   GLY  68           HAS      GLY  68 -22.651   8.236   7.058
  504   2HA   GLY  68           HAR      GLY  68 -22.047   6.580   7.336
  505    H    GLY  69           HN       GLY  69 -24.837   8.624   6.921
  506   1HA   GLY  69           HAR      GLY  69 -26.689   7.516   5.720
  507   2HA   GLY  69           HAS      GLY  69 -26.628   6.229   6.953
  508    H    ALA  70           HN       ALA  70 -26.408   9.775   7.325
  509    HA   ALA  70           HA       ALA  70 -27.731  11.316   8.381
  510   1HB   ALA  70           HMB      ALA  70 -29.214  10.101   6.535
  511   2HB   ALA  70           HMB      ALA  70 -30.141   9.612   7.975
  512   3HB   ALA  70           HMB      ALA  70 -29.872  11.339   7.634
  513    H    GLU  71           HN       GLU  71 -27.142  11.309  10.464
  514    HA   GLU  71           HA       GLU  71 -28.578   9.520  12.366
  515   1HB   GLU  71           HBS      GLU  71 -26.045  10.288  12.219
  516   2HB   GLU  71           HBR      GLU  71 -26.571  11.616  13.099
  517   1HG   GLU  71           HGR      GLU  71 -27.049  10.244  15.057
  518   2HG   GLU  71           HGS      GLU  71 -27.394   8.864  13.980
  519    H    SER  72           HN       SER  72 -30.465  10.228  13.012
  520    HA   SER  72           HA       SER  72 -31.349  12.969  12.965
  521   1HB   SER  72           HBS      SER  72 -33.224  12.201  14.275
  522   2HB   SER  72           HBR      SER  72 -32.919  11.083  12.912
  523    HG   SER  72           HG       SER  72 -31.998  10.837  15.664
  524    H    HIS  73           HN       HIS  73 -32.450  13.263  15.505
  525    HA   HIS  73           HA       HIS  73 -31.966  14.248  17.515
  526   1HB   HIS  73           HBR      HIS  73 -29.247  12.878  17.319
  527   2HB   HIS  73           HBS      HIS  73 -29.841  13.828  18.710
  528    HD1  HIS  73           HD1      HIS  73 -29.518  11.457  20.069
  529    HD2  HIS  73           HD2      HIS  73 -32.540  11.590  17.206
  530    HE1  HIS  73           HE1      HIS  73 -31.102   9.597  20.629
  531    HE2  HIS  73           HE2      HIS  73 -32.944   9.684  18.910
  532    H    THR  74           HN       THR  74 -31.364  15.245  14.769
  533    HA   THR  74           HA       THR  74 -29.525  17.448  15.569
  534    HB   THR  74           HB       THR  74 -28.946  16.202  13.413
  535    HG1  THR  74           HG1      THR  74 -29.808  18.775  13.281
  536   1HG2  THR  74           HMG      THR  74 -31.475  17.521  12.397
  537   2HG2  THR  74           HMG      THR  74 -30.190  16.838  11.368
  538   3HG2  THR  74           HMG      THR  74 -31.113  15.778  12.467
  539    H    PHE  75           HN       PHE  75 -30.202  19.598  14.906
  540    HA   PHE  75           HA       PHE  75 -32.992  19.914  15.753
  541   1HB   PHE  75           HBR      PHE  75 -32.396  22.284  16.167
  542   2HB   PHE  75           HBS      PHE  75 -31.331  21.147  17.045
  543    HD1  PHE  75           HD2      PHE  75 -28.937  20.814  16.175
  544    HD2  PHE  75           HD1      PHE  75 -31.622  23.679  14.518
  545    HE1  PHE  75           HE2      PHE  75 -27.027  22.000  15.146
  546    HE2  PHE  75           HE1      PHE  75 -29.743  24.875  13.490
  547    HZ   PHE  75           HZ       PHE  75 -27.439  24.075  13.853
  548    H    LYS  76           HN       LYS  76 -32.234  19.185  12.967
  549    HA   LYS  76           HA       LYS  76 -32.918  21.344  11.200
  550   1HB   LYS  76           HBS      LYS  76 -33.509  19.619   9.608
  551   2HB   LYS  76           HBR      LYS  76 -31.955  19.232  10.399
  552   1HG   LYS  76           HGR      LYS  76 -33.205  17.666  11.920
  553   2HG   LYS  76           HGS      LYS  76 -34.667  17.965  10.937
  554   1HD   LYS  76           HDS      LYS  76 -32.088  16.914   9.782
  555   2HD   LYS  76           HDR      LYS  76 -33.321  15.884  10.454
  556   1HE   LYS  76           HES      LYS  76 -34.361  15.870   8.514
  557   2HE   LYS  76           HER      LYS  76 -34.676  17.616   8.725
  558   1HZ   LYS  76           HZB      LYS  76 -32.096  17.411   7.878
  559   2HZ   LYS  76           HZC      LYS  76 -32.910  16.341   6.951
  560   3HZ   LYS  76           HZA      LYS  76 -33.378  17.906   6.995
   
  No H/Q in entry =         560
  Start of MODEL   21
    1    H    PRO   1           HN       PRO   1  15.333   1.910   5.775
    2    HA   PRO   1           HA       PRO   1  13.668   2.930   4.369
    3   1HB   PRO   1           HBS      PRO   1  15.311   4.184   2.575
    4   2HB   PRO   1           HBR      PRO   1  14.181   4.896   3.527
    5   1HG   PRO   1           HGS      PRO   1  16.857   5.145   3.732
    6   2HG   PRO   1           HGR      PRO   1  15.737   5.727   4.821
    7   1HD   PRO   1           HDR      PRO   1  17.387   3.473   5.056
    8   2HD   PRO   1           HDS      PRO   1  16.561   4.269   6.248
    9    H    LYS   2           HN       LYS   2  13.280   0.820   3.986
   10    HA   LYS   2           HA       LYS   2  14.402   0.022   1.354
   11   1HB   LYS   2           HBS      LYS   2  13.736  -2.001   3.504
   12   2HB   LYS   2           HBR      LYS   2  14.545  -2.259   1.932
   13   1HG   LYS   2           HGS      LYS   2  16.460  -0.851   2.796
   14   2HG   LYS   2           HGR      LYS   2  15.667  -0.880   4.397
   15   1HD   LYS   2           HDR      LYS   2  15.755  -3.534   3.498
   16   2HD   LYS   2           HDS      LYS   2  17.298  -2.872   3.033
   17   1HE   LYS   2           HER      LYS   2  16.996  -1.929   5.596
   18   2HE   LYS   2           HES      LYS   2  16.228  -3.539   5.676
   19   1HZ   LYS   2           HZB      LYS   2  18.681  -3.560   4.259
   20   2HZ   LYS   2           HZC      LYS   2  18.875  -3.035   5.793
   21   3HZ   LYS   2           HZA      LYS   2  18.195  -4.492   5.509
   22    H    CYS   3           HN       CYS   3  12.978  -1.172   0.064
   23    HA   CYS   3           HA       CYS   3  10.427  -0.040   0.236
   24   1HB   CYS   3           HBS      CYS   3  11.891  -0.509  -1.777
   25   2HB   CYS   3           HBR      CYS   3  11.281  -2.187  -1.699
   26    HA   PRO   4           HA       PRO   4   8.122  -3.375   2.138
   27   1HB   PRO   4           HBR      PRO   4   5.835  -1.904   1.898
   28   2HB   PRO   4           HBS      PRO   4   6.693  -2.155   3.275
   29   1HG   PRO   4           HGS      PRO   4   6.424   0.185   2.004
   30   2HG   PRO   4           HGR      PRO   4   7.491  -0.129   3.247
   31   1HD   PRO   4           HDS      PRO   4   8.007   0.009   0.469
   32   2HD   PRO   4           HDR      PRO   4   9.054   0.264   1.725
   33    H    LYS   5           HN       LYS   5   8.079  -2.055  -0.881
   34    HA   LYS   5           HA       LYS   5   5.878  -3.755  -1.899
   35   1HB   LYS   5           HBR      LYS   5   6.841  -1.273  -2.686
   36   2HB   LYS   5           HBS      LYS   5   7.553  -2.399  -3.877
   37   1HG   LYS   5           HGR      LYS   5   4.610  -2.525  -3.203
   38   2HG   LYS   5           HGS      LYS   5   5.229  -1.320  -4.369
   39   1HD   LYS   5           HDR      LYS   5   5.126  -2.804  -5.943
   40   2HD   LYS   5           HDS      LYS   5   6.413  -3.692  -5.174
   41   1HE   LYS   5           HES      LYS   5   4.614  -5.201  -5.590
   42   2HE   LYS   5           HER      LYS   5   4.677  -4.895  -3.831
   43   1HZ   LYS   5           HZB      LYS   5   3.006  -3.056  -5.169
   44   2HZ   LYS   5           HZC      LYS   5   2.519  -4.590  -5.443
   45   3HZ   LYS   5           HZA      LYS   5   2.665  -4.041  -3.913
   46    H    CYS   6           HN       CYS   6   9.146  -3.039  -3.158
   47    HA   CYS   6           HA       CYS   6   9.047  -5.700  -4.362
   48   1HB   CYS   6           HBS      CYS   6  10.823  -4.930  -5.815
   49   2HB   CYS   6           HBR      CYS   6   9.423  -3.825  -5.802
   50    H    ASP   7           HN       ASP   7  10.562  -4.225  -1.695
   51    HA   ASP   7           HA       ASP   7  12.182  -4.865  -0.247
   52   1HB   ASP   7           HBR      ASP   7  11.170  -7.122  -0.495
   53   2HB   ASP   7           HBS      ASP   7  12.405  -7.476  -1.737
   54    H    LYS   8           HN       LYS   8  12.992  -3.049  -1.705
   55    HA   LYS   8           HA       LYS   8  15.803  -3.880  -2.186
   56   1HB   LYS   8           HBS      LYS   8  14.232  -2.748  -4.178
   57   2HB   LYS   8           HBR      LYS   8  15.094  -1.350  -3.473
   58   1HG   LYS   8           HGR      LYS   8  16.265  -2.406  -5.423
   59   2HG   LYS   8           HGS      LYS   8  17.237  -2.361  -3.925
   60   1HD   LYS   8           HDR      LYS   8  16.812  -4.645  -3.475
   61   2HD   LYS   8           HDS      LYS   8  15.653  -4.780  -4.768
   62   1HE   LYS   8           HES      LYS   8  17.264  -5.282  -6.227
   63   2HE   LYS   8           HER      LYS   8  18.165  -3.807  -5.781
   64   1HZ   LYS   8           HZA      LYS   8  18.781  -5.224  -3.745
   65   2HZ   LYS   8           HZB      LYS   8  18.404  -6.495  -4.698
   66   3HZ   LYS   8           HZC      LYS   8  19.576  -5.452  -5.153
   67    H    GLU   9           HN       GLU   9  16.965  -1.442  -2.247
   68    HA   GLU   9           HA       GLU   9  15.978   0.002   0.181
   69   1HB   GLU   9           HBS      GLU   9  18.334   1.110  -0.354
   70   2HB   GLU   9           HBR      GLU   9  18.063  -0.014   0.854
   71   1HG   GLU   9           HGR      GLU   9  18.732  -1.812  -1.083
   72   2HG   GLU   9           HGS      GLU   9  19.286  -0.322  -1.892
   73    H    VAL  10           HN       VAL  10  15.749   2.210   0.066
   74    HA   VAL  10           HA       VAL  10  15.061   3.010  -2.701
   75    HB   VAL  10           HB       VAL  10  13.730   3.474  -0.030
   76   1HG1  VAL  10           HMG      VAL  10  13.653   5.419  -1.861
   77   2HG1  VAL  10           HMG      VAL  10  12.355   4.386  -2.506
   78   3HG1  VAL  10           HMG      VAL  10  12.259   4.996  -0.837
   79   1HG2  VAL  10           HMG      VAL  10  13.566   1.347  -1.730
   80   2HG2  VAL  10           HMG      VAL  10  12.330   1.829  -0.547
   81   3HG2  VAL  10           HMG      VAL  10  12.178   2.344  -2.241
   82    H    TYR  11           HN       TYR  11  16.080   4.619  -3.577
   83    HA   TYR  11           HA       TYR  11  17.971   6.215  -1.982
   84   1HB   TYR  11           HBS      TYR  11  18.606   5.287  -4.214
   85   2HB   TYR  11           HBR      TYR  11  17.369   6.340  -4.960
   86    HD1  TYR  11           HD2      TYR  11  17.635   8.823  -4.793
   87    HD2  TYR  11           HD1      TYR  11  20.733   6.203  -3.514
   88    HE1  TYR  11           HE2      TYR  11  19.195  10.717  -4.714
   89    HE2  TYR  11           HE1      TYR  11  22.308   8.088  -3.445
   90    HH   TYR  11           HH       TYR  11  22.221  10.442  -3.050
   91    H    PHE  12           HN       PHE  12  17.944   8.509  -2.023
   92    HA   PHE  12           HA       PHE  12  15.636   9.234  -0.805
   93   1HB   PHE  12           HBR      PHE  12  17.952  10.889  -1.781
   94   2HB   PHE  12           HBS      PHE  12  16.491  11.724  -1.179
   95    HD1  PHE  12           HD1      PHE  12  15.666  11.287   1.043
   96    HD2  PHE  12           HD2      PHE  12  19.488   9.850  -0.175
   97    HE1  PHE  12           HE1      PHE  12  16.240  10.882   3.394
   98    HE2  PHE  12           HE2      PHE  12  20.091   9.433   2.188
   99    HZ   PHE  12           HZ       PHE  12  18.428   9.898   3.966
  100    H    ALA  13           HN       ALA  13  16.673  11.048  -3.713
  101    HA   ALA  13           HA       ALA  13  14.222  12.093  -4.171
  102   1HB   ALA  13           HMB      ALA  13  16.706  12.375  -5.236
  103   2HB   ALA  13           HMB      ALA  13  15.851  11.634  -6.613
  104   3HB   ALA  13           HMB      ALA  13  15.254  13.158  -5.910
  105    H    GLU  14           HN       GLU  14  14.947   8.892  -4.692
  106    HA   GLU  14           HA       GLU  14  12.828   8.528  -6.713
  107   1HB   GLU  14           HBS      GLU  14  14.784   6.777  -5.295
  108   2HB   GLU  14           HBR      GLU  14  13.616   6.095  -6.288
  109   1HG   GLU  14           HGR      GLU  14  15.621   8.242  -7.245
  110   2HG   GLU  14           HGS      GLU  14  15.949   6.487  -7.274
  111    H    ARG  15           HN       ARG  15  12.516   9.300  -3.698
  112    HA   ARG  15           HA       ARG  15  11.400   6.805  -2.612
  113   1HB   ARG  15           HBR      ARG  15  11.649   7.725  -0.463
  114   2HB   ARG  15           HBS      ARG  15  13.117   8.170  -1.372
  115   1HG   ARG  15           HGS      ARG  15  12.131  10.448  -1.717
  116   2HG   ARG  15           HGR      ARG  15  10.791   9.973  -0.634
  117   1HD   ARG  15           HDS      ARG  15  12.248   9.686   1.194
  118   2HD   ARG  15           HDR      ARG  15  13.692   9.793   0.150
  119    HE   ARG  15           HE       ARG  15  12.753  12.204  -0.271
  120   1HH1  ARG  15           HH1      ARG  15  13.060  10.429   2.759
  121   2HH1  ARG  15           HH1      ARG  15  13.019  11.864   3.730
  122   1HH2  ARG  15           HH2      ARG  15  12.578  14.047   1.037
  123   2HH2  ARG  15           HH2      ARG  15  12.752  13.912   2.755
  124    H    VAL  16           HN       VAL  16   9.452   6.731  -1.416
  125    HA   VAL  16           HA       VAL  16   7.906   9.152  -1.176
  126    HB   VAL  16           HB       VAL  16   5.799   8.333  -1.965
  127   1HG1  VAL  16           HMG      VAL  16   7.399   9.436  -3.579
  128   2HG1  VAL  16           HMG      VAL  16   7.745   7.810  -4.215
  129   3HG1  VAL  16           HMG      VAL  16   6.093   8.468  -4.305
  130   1HG2  VAL  16           HMG      VAL  16   7.233   5.797  -2.785
  131   2HG2  VAL  16           HMG      VAL  16   6.010   5.973  -1.504
  132   3HG2  VAL  16           HMG      VAL  16   5.556   6.223  -3.207
  133    H    THR  17           HN       THR  17   6.529   9.110   0.596
  134    HA   THR  17           HA       THR  17   7.409   7.023   2.526
  135    HB   THR  17           HB       THR  17   6.682   9.897   3.277
  136    HG1  THR  17           HG1      THR  17   9.054   8.734   2.635
  137   1HG2  THR  17           HMG      THR  17   6.924   8.100   5.041
  138   2HG2  THR  17           HMG      THR  17   8.656   8.051   4.624
  139   3HG2  THR  17           HMG      THR  17   7.932   9.556   5.244
  140    H    SER  18           HN       SER  18   6.016   6.147   3.931
  141    HA   SER  18           HA       SER  18   3.319   6.887   4.386
  142   1HB   SER  18           HBR      SER  18   3.084   6.504   1.960
  143   2HB   SER  18           HBS      SER  18   3.657   4.826   2.193
  144    HG   SER  18           HG       SER  18   1.806   4.197   2.703
  145    H    LEU  19           HN       LEU  19   2.578   5.759   6.029
  146    HA   LEU  19           HA       LEU  19   2.740   4.490   7.923
  147   1HB   LEU  19           HBR      LEU  19   3.692   2.469   5.870
  148   2HB   LEU  19           HBS      LEU  19   3.201   2.091   7.545
  149    HG   LEU  19           HG       LEU  19   1.401   1.485   6.140
  150   1HD1  LEU  19           HMD      LEU  19   1.163   3.500   8.095
  151   2HD1  LEU  19           HMD      LEU  19   0.117   4.003   6.744
  152   3HD1  LEU  19           HMD      LEU  19  -0.108   2.404   7.498
  153   1HD2  LEU  19           HMD      LEU  19   2.280   2.923   4.240
  154   2HD2  LEU  19           HMD      LEU  19   0.509   2.862   4.423
  155   3HD2  LEU  19           HMD      LEU  19   1.414   4.288   4.991
  156    H    GLY  20           HN       GLY  20   4.937   6.210   7.181
  157   1HA   GLY  20           HAS      GLY  20   6.929   6.823   8.159
  158   2HA   GLY  20           HAR      GLY  20   6.533   5.615   9.411
  159    H    LYS  21           HN       LYS  21   6.706   4.433   6.179
  160    HA   LYS  21           HA       LYS  21   9.618   4.055   6.258
  161   1HB   LYS  21           HBR      LYS  21   7.630   1.812   6.125
  162   2HB   LYS  21           HBS      LYS  21   9.108   1.728   5.125
  163   1HG   LYS  21           HGR      LYS  21   9.781   2.496   7.835
  164   2HG   LYS  21           HGS      LYS  21   8.804   1.001   7.842
  165   1HD   LYS  21           HDR      LYS  21  10.799   0.056   7.623
  166   2HD   LYS  21           HDS      LYS  21  10.435   0.272   5.933
  167   1HE   LYS  21           HER      LYS  21  12.751   0.887   6.646
  168   2HE   LYS  21           HES      LYS  21  11.869   2.174   5.777
  169   1HZ   LYS  21           HZB      LYS  21  11.508   2.258   8.594
  170   2HZ   LYS  21           HZC      LYS  21  13.073   2.436   8.163
  171   3HZ   LYS  21           HZA      LYS  21  11.941   3.449   7.562
  172    H    ASP  22           HN       ASP  22  10.519   3.833   4.184
  173    HA   ASP  22           HA       ASP  22   8.978   5.442   2.349
  174   1HB   ASP  22           HBS      ASP  22  11.832   4.599   1.947
  175   2HB   ASP  22           HBR      ASP  22  10.986   6.068   1.378
  176    H    TRP  23           HN       TRP  23   9.242   5.129  -0.032
  177    HA   TRP  23           HA       TRP  23   9.391   2.281  -0.865
  178   1HB   TRP  23           HBR      TRP  23   7.243   4.265  -1.628
  179   2HB   TRP  23           HBS      TRP  23   7.309   2.513  -2.005
  180    HD1  TRP  23           HD1      TRP  23   6.728   4.944   0.941
  181    HE1  TRP  23           HE1      TRP  23   5.101   3.829   2.592
  182    HE3  TRP  23           HE3      TRP  23   6.370   0.402  -1.319
  183    HZ2  TRP  23           HZ2      TRP  23   3.716   1.397   2.773
  184    HZ3  TRP  23           HZ3      TRP  23   4.916  -1.297  -0.314
  185    HH2  TRP  23           HH2      TRP  23   3.533  -0.785   1.628
  186    H    HIS  24           HN       ZHI  24   9.354   2.097  -3.283
  187    HA   HIS  24           HA       ZHI  24  10.945   4.180  -4.563
  188   1HB   HIS  24           HBS      ZHI  24   9.833   1.585  -5.722
  189   2HB   HIS  24           HBR      ZHI  24  10.953   2.710  -6.546
  190    HD2  HIS  24           HD2      ZHI  24  13.195   3.187  -4.388
  191    HE1  HIS  24           HE1      ZHI  24  13.049  -0.826  -3.222
  192    HE2  HIS  24           HE2      ZHI  24  14.528   1.206  -3.395
  193    H    ARG  25           HN       ARG  25  10.366   5.528  -6.161
  194    HA   ARG  25           HA       ARG  25   7.741   6.565  -5.960
  195   1HB   ARG  25           HBS      ARG  25   9.662   7.964  -6.564
  196   2HB   ARG  25           HBR      ARG  25   9.835   7.074  -8.104
  197   1HG   ARG  25           HGR      ARG  25   7.793   7.964  -8.948
  198   2HG   ARG  25           HGS      ARG  25   7.342   8.620  -7.349
  199   1HD   ARG  25           HDR      ARG  25   8.107  10.483  -8.445
  200   2HD   ARG  25           HDS      ARG  25   9.554   9.941  -7.550
  201    HE   ARG  25           HE       ARG  25  10.180   8.814  -9.767
  202   1HH1  ARG  25           HH1      ARG  25   8.529  11.913  -9.454
  203   2HH1  ARG  25           HH1      ARG  25   8.936  12.415 -11.061
  204   1HH2  ARG  25           HH2      ARG  25  10.591   9.455 -11.901
  205   2HH2  ARG  25           HH2      ARG  25  10.107  11.028 -12.445
  206    HA   PRO  26           HA       PRO  26   7.155   4.204 -10.236
  207   1HB   PRO  26           HBR      PRO  26   8.902   2.043  -9.917
  208   2HB   PRO  26           HBS      PRO  26   8.700   2.996 -11.238
  209   1HG   PRO  26           HGR      PRO  26  10.830   3.046  -9.637
  210   2HG   PRO  26           HGS      PRO  26  10.424   4.219 -10.752
  211   1HD   PRO  26           HDS      PRO  26  10.235   4.336  -7.965
  212   2HD   PRO  26           HDR      PRO  26  10.153   5.579  -9.053
  213    H    CYS  27           HN       CYS  27   8.109   2.479  -7.385
  214    HA   CYS  27           HA       CYS  27   6.464   0.266  -7.831
  215   1HB   CYS  27           HBS      CYS  27   7.920   1.398  -5.494
  216   2HB   CYS  27           HBR      CYS  27   6.659   0.174  -5.170
  217    H    LEU  28           HN       LEU  28   5.854   3.147  -5.811
  218    HA   LEU  28           HA       LEU  28   3.704   2.070  -4.423
  219   1HB   LEU  28           HBR      LEU  28   5.198   4.097  -3.995
  220   2HB   LEU  28           HBS      LEU  28   4.062   5.010  -5.028
  221    HG   LEU  28           HG       LEU  28   2.307   3.986  -3.291
  222   1HD1  LEU  28           HMD      LEU  28   4.964   4.111  -1.850
  223   2HD1  LEU  28           HMD      LEU  28   3.404   4.291  -1.006
  224   3HD1  LEU  28           HMD      LEU  28   3.776   2.783  -1.880
  225   1HD2  LEU  28           HMD      LEU  28   3.487   6.427  -3.890
  226   2HD2  LEU  28           HMD      LEU  28   2.067   6.166  -2.846
  227   3HD2  LEU  28           HMD      LEU  28   3.693   6.280  -2.125
  228    H    LYS  29           HN       LYS  29   2.261   1.023  -5.736
  229    HA   LYS  29           HA       LYS  29   0.507   2.730  -7.433
  230   1HB   LYS  29           HBS      LYS  29   1.743   0.071  -8.221
  231   2HB   LYS  29           HBR      LYS  29   0.546   1.005  -9.162
  232   1HG   LYS  29           HGS      LYS  29   2.362   2.913  -9.010
  233   2HG   LYS  29           HGR      LYS  29   3.471   1.546  -8.700
  234   1HD   LYS  29           HDR      LYS  29   3.576   1.156 -10.852
  235   2HD   LYS  29           HDS      LYS  29   1.871   0.800 -10.896
  236   1HE   LYS  29           HES      LYS  29   1.313   2.971 -11.582
  237   2HE   LYS  29           HER      LYS  29   2.869   3.628 -10.999
  238   1HZ   LYS  29           HZC      LYS  29   3.728   1.941 -12.790
  239   2HZ   LYS  29           HZA      LYS  29   2.270   2.245 -13.462
  240   3HZ   LYS  29           HZB      LYS  29   3.310   3.472 -13.177
  241    H    CYS  30           HN       CYS  30  -1.565   1.934  -7.770
  242    HA   CYS  30           HA       CYS  30  -2.718   0.367  -5.689
  243   1HB   CYS  30           HBS      CYS  30  -3.816   2.155  -7.143
  244   2HB   CYS  30           HBR      CYS  30  -4.014   0.859  -8.358
  245    H    GLU  31           HN       GLU  31  -2.920  -1.707  -5.419
  246    HA   GLU  31           HA       GLU  31  -2.352  -3.576  -7.630
  247   1HB   GLU  31           HBS      GLU  31  -2.701  -3.621  -4.694
  248   2HB   GLU  31           HBR      GLU  31  -2.957  -5.081  -5.481
  249   1HG   GLU  31           HGS      GLU  31  -0.473  -3.340  -5.424
  250   2HG   GLU  31           HGR      GLU  31  -0.570  -4.972  -4.708
  251    H    LYS  32           HN       LYS  32  -4.810  -1.824  -7.461
  252    HA   LYS  32           HA       LYS  32  -6.822  -4.010  -7.723
  253   1HB   LYS  32           HBS      LYS  32  -6.762  -2.201  -5.725
  254   2HB   LYS  32           HBR      LYS  32  -7.660  -1.262  -6.951
  255   1HG   LYS  32           HGR      LYS  32  -8.430  -4.057  -6.033
  256   2HG   LYS  32           HGS      LYS  32  -9.112  -2.551  -5.356
  257   1HD   LYS  32           HDR      LYS  32 -10.658  -2.638  -6.876
  258   2HD   LYS  32           HDS      LYS  32  -9.452  -2.180  -8.045
  259   1HE   LYS  32           HES      LYS  32  -9.501  -4.195  -9.037
  260   2HE   LYS  32           HER      LYS  32  -9.458  -5.041  -7.462
  261   1HZ   LYS  32           HZB      LYS  32 -11.916  -3.704  -8.177
  262   2HZ   LYS  32           HZC      LYS  32 -11.553  -5.060  -9.013
  263   3HZ   LYS  32           HZA      LYS  32 -11.683  -5.113  -7.385
  264    H    CYS  33           HN       CYS  33  -6.191  -0.574  -8.540
  265    HA   CYS  33           HA       CYS  33  -7.469  -1.116 -11.162
  266   1HB   CYS  33           HBS      CYS  33  -7.945   1.213 -11.325
  267   2HB   CYS  33           HBR      CYS  33  -8.555   0.541  -9.789
  268    H    GLY  34           HN       GLY  34  -4.433  -0.671  -9.749
  269   1HA   GLY  34           HAR      GLY  34  -2.356  -0.861 -10.742
  270   2HA   GLY  34           HAS      GLY  34  -3.178  -1.055 -12.313
  271    H    LYS  35           HN       LYS  35  -3.788   1.684 -10.196
  272    HA   LYS  35           HA       LYS  35  -2.656   3.465 -12.309
  273   1HB   LYS  35           HBR      LYS  35  -5.234   3.453 -11.496
  274   2HB   LYS  35           HBS      LYS  35  -4.533   4.570 -10.291
  275   1HG   LYS  35           HGR      LYS  35  -5.450   5.751 -12.273
  276   2HG   LYS  35           HGS      LYS  35  -3.696   6.019 -12.060
  277   1HD   LYS  35           HDS      LYS  35  -3.390   5.427 -14.146
  278   2HD   LYS  35           HDR      LYS  35  -3.794   3.801 -13.665
  279   1HE   LYS  35           HER      LYS  35  -6.236   4.468 -14.042
  280   2HE   LYS  35           HES      LYS  35  -5.562   5.847 -14.957
  281   1HZ   LYS  35           HZA      LYS  35  -4.200   3.890 -16.009
  282   2HZ   LYS  35           HZB      LYS  35  -5.522   3.027 -15.587
  283   3HZ   LYS  35           HZC      LYS  35  -5.670   4.317 -16.578
  284    H    THR  36           HN       THR  36  -1.182   4.931 -11.751
  285    HA   THR  36           HA       THR  36   0.439   4.327  -9.559
  286    HB   THR  36           HB       THR  36   0.482   6.987 -11.089
  287    HG1  THR  36           HG1      THR  36   1.191   6.130 -12.552
  288   1HG2  THR  36           HMG      THR  36   2.036   6.577  -9.069
  289   2HG2  THR  36           HMG      THR  36   2.882   5.434 -10.143
  290   3HG2  THR  36           HMG      THR  36   2.753   7.153 -10.596
  291    H    LEU  37           HN       LEU  37   0.844   5.226  -7.610
  292    HA   LEU  37           HA       LEU  37  -1.425   6.746  -6.491
  293   1HB   LEU  37           HBR      LEU  37   0.801   5.163  -5.170
  294   2HB   LEU  37           HBS      LEU  37  -0.648   5.841  -4.373
  295    HG   LEU  37           HG       LEU  37  -0.706   3.690  -6.504
  296   1HD1  LEU  37           HMD      LEU  37  -0.821   3.526  -3.478
  297   2HD1  LEU  37           HMD      LEU  37  -1.305   2.209  -4.575
  298   3HD1  LEU  37           HMD      LEU  37   0.382   2.783  -4.560
  299   1HD2  LEU  37           HMD      LEU  37  -2.698   5.174  -4.826
  300   2HD2  LEU  37           HMD      LEU  37  -2.787   4.672  -6.533
  301   3HD2  LEU  37           HMD      LEU  37  -3.018   3.470  -5.239
  302    H    THR  38           HN       THR  38  -1.035   8.371  -4.870
  303    HA   THR  38           HA       THR  38   1.028  10.190  -5.937
  304    HB   THR  38           HB       THR  38  -1.141  11.200  -4.102
  305    HG1  THR  38           HG1      THR  38  -1.403  10.394  -6.684
  306   1HG2  THR  38           HMG      THR  38   0.651  12.373  -5.878
  307   2HG2  THR  38           HMG      THR  38  -0.926  12.477  -6.700
  308   3HG2  THR  38           HMG      THR  38  -0.728  13.152  -5.062
  309    H    SER  39           HN       SER  39   1.242  12.070  -4.043
  310    HA   SER  39           HA       SER  39   3.401  11.016  -2.656
  311   1HB   SER  39           HBS      SER  39   2.308  13.435  -1.417
  312   2HB   SER  39           HBR      SER  39   3.893  13.135  -2.187
  313    HG   SER  39           HG       SER  39   1.486  14.254  -3.096
  314    H    GLY  40           HN       GLY  40   0.068  11.072  -1.772
  315   1HA   GLY  40           HAR      GLY  40   0.332   9.088   0.134
  316   2HA   GLY  40           HAS      GLY  40   0.348  10.604   1.076
  317    H    GLY  41           HN       GLY  41  -1.419   9.331  -1.781
  318   1HA   GLY  41           HAR      GLY  41  -3.979   9.835  -0.314
  319   2HA   GLY  41           HAS      GLY  41  -3.839   9.915  -2.088
  320    H    HIS  42           HN       HIS  42  -1.783   7.496  -1.082
  321    HA   HIS  42           HA       HIS  42  -3.753   5.427  -1.614
  322   1HB   HIS  42           HBS      HIS  42  -1.853   3.910  -1.814
  323   2HB   HIS  42           HBR      HIS  42  -1.566   5.395  -2.767
  324    HD1  HIS  42           HD1      HIS  42   0.106   3.232  -0.351
  325    HD2  HIS  42           HD2      HIS  42   0.013   7.331  -1.085
  326    HE1  HIS  42           HE1      HIS  42   2.029   4.222   0.915
  327    HE2  HIS  42           HE2      HIS  42   2.033   6.687   0.401
  328    H    ALA  43           HN       ALA  43  -2.765   3.232  -0.387
  329    HA   ALA  43           HA       ALA  43  -1.771   3.609   2.213
  330   1HB   ALA  43           HMB      ALA  43  -4.583   3.816   2.146
  331   2HB   ALA  43           HMB      ALA  43  -4.210   2.206   2.814
  332   3HB   ALA  43           HMB      ALA  43  -3.520   3.666   3.568
  333    H    GLU  44           HN       GLU  44  -1.407   1.554   3.314
  334    HA   GLU  44           HA       GLU  44  -0.963  -0.520   1.208
  335   1HB   GLU  44           HBR      GLU  44   1.221  -0.666   1.968
  336   2HB   GLU  44           HBS      GLU  44   0.849   0.966   1.846
  337   1HG   GLU  44           HGR      GLU  44   1.936   1.061   3.919
  338   2HG   GLU  44           HGS      GLU  44   0.212   0.902   4.347
  339    H    HIS  45           HN       HIS  45  -1.492  -2.546   1.646
  340    HA   HIS  45           HA       HIS  45  -1.707  -3.394   4.494
  341   1HB   HIS  45           HBS      HIS  45  -3.936  -3.327   3.379
  342   2HB   HIS  45           HBR      HIS  45  -3.325  -4.455   2.133
  343    HD1  HIS  45           HD1      HIS  45  -4.492  -4.367   5.733
  344    HD2  HIS  45           HD2      HIS  45  -3.279  -7.072   2.809
  345    HE1  HIS  45           HE1      HIS  45  -5.089  -6.647   6.588
  346    HE2  HIS  45           HE2      HIS  45  -4.322  -8.291   4.839
  347    H    GLU  46           HN       GLU  46  -0.131  -4.683   5.024
  348    HA   GLU  46           HA       GLU  46   1.740  -6.003   4.883
  349   1HB   GLU  46           HBR      GLU  46  -0.450  -7.306   3.703
  350   2HB   GLU  46           HBS      GLU  46   0.776  -7.446   2.565
  351   1HG   GLU  46           HGR      GLU  46   0.655  -9.382   4.338
  352   2HG   GLU  46           HGS      GLU  46   2.213  -8.691   3.810
  353    H    GLY  47           HN       GLY  47   1.905  -3.573   3.554
  354   1HA   GLY  47           HAR      GLY  47   3.482  -2.483   2.287
  355   2HA   GLY  47           HAS      GLY  47   4.304  -4.058   2.133
  356    H    LYS  48           HN       LYS  48   1.015  -3.952   1.103
  357    HA   LYS  48           HA       LYS  48   1.822  -3.540  -1.743
  358   1HB   LYS  48           HBR      LYS  48  -0.639  -4.997  -0.743
  359   2HB   LYS  48           HBS      LYS  48  -0.001  -4.917  -2.410
  360   1HG   LYS  48           HGR      LYS  48   1.116  -6.813  -2.050
  361   2HG   LYS  48           HGS      LYS  48   2.066  -5.998  -0.776
  362   1HD   LYS  48           HDR      LYS  48   1.136  -7.171   0.790
  363   2HD   LYS  48           HDS      LYS  48  -0.461  -6.643   0.331
  364   1HE   LYS  48           HER      LYS  48   1.057  -8.973  -0.845
  365   2HE   LYS  48           HES      LYS  48  -0.260  -9.085   0.357
  366   1HZ   LYS  48           HZB      LYS  48  -1.385  -7.665  -1.576
  367   2HZ   LYS  48           HZC      LYS  48  -0.400  -8.616  -2.466
  368   3HZ   LYS  48           HZA      LYS  48  -1.497  -9.290  -1.460
  369    HA   PRO  49           HA       PRO  49  -0.470   0.136  -0.790
  370   1HB   PRO  49           HBR      PRO  49   0.389   1.490  -2.938
  371   2HB   PRO  49           HBS      PRO  49   1.109   1.517  -1.462
  372   1HG   PRO  49           HGS      PRO  49   1.958   0.219  -3.782
  373   2HG   PRO  49           HGR      PRO  49   2.858   0.651  -2.446
  374   1HD   PRO  49           HDS      PRO  49   2.045  -1.842  -3.020
  375   2HD   PRO  49           HDR      PRO  49   2.625  -1.340  -1.555
  376    H    TYR  50           HN       TYR  50  -2.278   1.250  -1.392
  377    HA   TYR  50           HA       TYR  50  -3.404   0.653  -4.053
  378   1HB   TYR  50           HBR      TYR  50  -4.846   0.063  -1.443
  379   2HB   TYR  50           HBS      TYR  50  -5.599   0.082  -3.064
  380    HD1  TYR  50           HD1      TYR  50  -2.973  -1.661  -1.035
  381    HD2  TYR  50           HD2      TYR  50  -5.723  -1.889  -4.271
  382    HE1  TYR  50           HE1      TYR  50  -2.544  -4.072  -1.223
  383    HE2  TYR  50           HE2      TYR  50  -5.362  -4.312  -4.417
  384    HH   TYR  50           HH       TYR  50  -2.718  -5.829  -2.732
  385    H    CYS  51           HN       CYS  51  -5.326   2.002  -4.475
  386    HA   CYS  51           HA       CYS  51  -5.534   4.597  -3.582
  387   1HB   CYS  51           HBS      CYS  51  -7.810   2.711  -4.229
  388   2HB   CYS  51           HBR      CYS  51  -7.960   4.480  -4.042
  389    H    ASN  52           HN       ASN  52  -5.919   5.603  -1.778
  390    HA   ASN  52           HA       ASN  52  -6.932   4.438   0.619
  391   1HB   ASN  52           HBS      ASN  52  -5.633   6.578   0.429
  392   2HB   ASN  52           HBR      ASN  52  -7.143   7.346  -0.142
  393   1HD2  ASN  52           HD2      ASN  52  -6.420   6.997   3.772
  394   2HD2  ASN  52           HD2      ASN  52  -5.235   6.812   2.521
  395    H    HIS  53           HN       HIS  53  -8.438   5.819  -2.231
  396    HA   HIS  53           HA       HIS  53 -10.639   4.011  -1.798
  397   1HB   HIS  53           HBS      HIS  53 -11.186   7.001  -1.696
  398   2HB   HIS  53           HBR      HIS  53 -12.393   5.833  -2.305
  399    HD1  HIS  53           HD1      HIS  53 -13.757   4.562  -0.536
  400    HD2  HIS  53           HD2      HIS  53 -10.591   6.752   1.054
  401    HE1  HIS  53           HE1      HIS  53 -14.137   4.659   1.939
  402    HE2  HIS  53           HE2      HIS  53 -12.247   6.016   2.902
  403    HA   PRO  54           HA       PRO  54 -12.591   3.996  -2.608
  404   1HB   PRO  54           HBS      PRO  54 -13.844   2.441  -4.393
  405   2HB   PRO  54           HBR      PRO  54 -14.345   3.939  -3.946
  406   1HG   PRO  54           HGS      PRO  54 -13.293   3.141  -6.362
  407   2HG   PRO  54           HGR      PRO  54 -13.927   4.635  -5.978
  408   1HD   PRO  54           HDS      PRO  54 -11.261   3.941  -6.219
  409   2HD   PRO  54           HDR      PRO  54 -11.896   5.445  -5.951
  410    H    CYS  55           HN       CYS  55 -10.207   2.538  -4.350
  411    HA   CYS  55           HA       CYS  55 -11.009  -0.076  -4.397
  412   1HB   CYS  55           HBS      CYS  55  -8.160   0.947  -4.267
  413   2HB   CYS  55           HBR      CYS  55  -8.669  -0.683  -4.799
  414    H    TYR  56           HN       TYR  56  -9.106   1.521  -1.854
  415    HA   TYR  56           HA       TYR  56  -8.511  -0.845  -0.351
  416   1HB   TYR  56           HBR      TYR  56  -7.247   1.223  -0.057
  417   2HB   TYR  56           HBS      TYR  56  -8.711   2.057   0.537
  418    HD1  TYR  56           HD2      TYR  56  -6.807  -1.086   1.302
  419    HD2  TYR  56           HD1      TYR  56  -8.857   2.300   2.856
  420    HE1  TYR  56           HE2      TYR  56  -6.304  -1.840   3.582
  421    HE2  TYR  56           HE1      TYR  56  -8.339   1.570   5.145
  422    HH   TYR  56           HH       TYR  56  -6.138  -0.175   6.037
  423    H    SER  57           HN       SER  57 -10.982   1.715   0.078
  424    HA   SER  57           HA       SER  57 -12.293   0.346   2.191
  425   1HB   SER  57           HBS      SER  57 -12.741   2.793   0.604
  426   2HB   SER  57           HBR      SER  57 -14.210   2.042   1.292
  427    HG   SER  57           HG       SER  57 -13.705   3.202   2.934
  428    H    ALA  58           HN       ALA  58 -12.396  -0.047  -1.209
  429    HA   ALA  58           HA       ALA  58 -14.948  -1.483  -1.220
  430   1HB   ALA  58           HMB      ALA  58 -12.754  -1.145  -3.283
  431   2HB   ALA  58           HMB      ALA  58 -14.274  -2.035  -3.545
  432   3HB   ALA  58           HMB      ALA  58 -14.315  -0.289  -3.202
  433    H    MET  59           HN       MET  59 -11.490  -2.312  -1.699
  434    HA   MET  59           HA       MET  59 -12.047  -5.109  -1.913
  435   1HB   MET  59           HBS      MET  59 -10.040  -3.613  -2.792
  436   2HB   MET  59           HBR      MET  59  -9.305  -4.110  -1.247
  437   1HG   MET  59           HGS      MET  59  -8.610  -5.813  -2.736
  438   2HG   MET  59           HGR      MET  59 -10.014  -6.517  -1.902
  439   1HE   MET  59           HME      MET  59  -9.267  -7.911  -3.942
  440   2HE   MET  59           HME      MET  59 -10.960  -8.250  -4.382
  441   3HE   MET  59           HME      MET  59  -9.816  -7.679  -5.621
  442    H    PHE  60           HN       PHE  60 -10.651  -3.078   0.663
  443    HA   PHE  60           HA       PHE  60 -10.527  -5.448   2.415
  444   1HB   PHE  60           HBR      PHE  60  -9.113  -2.789   2.397
  445   2HB   PHE  60           HBS      PHE  60  -9.338  -3.641   3.951
  446    HD1  PHE  60           HD2      PHE  60  -8.171  -5.851   4.315
  447    HD2  PHE  60           HD1      PHE  60  -7.708  -3.572   0.744
  448    HE1  PHE  60           HE2      PHE  60  -6.243  -7.260   3.672
  449    HE2  PHE  60           HE1      PHE  60  -5.794  -4.959   0.083
  450    HZ   PHE  60           HZ       PHE  60  -5.098  -6.842   1.515
  451    H    GLY  61           HN       GLY  61 -12.609  -5.717   3.077
  452   1HA   GLY  61           HAS      GLY  61 -13.493  -3.770   5.140
  453   2HA   GLY  61           HAR      GLY  61 -14.676  -4.351   3.934
  454    HA   PRO  62           HA       PRO  62 -13.575  -7.246   7.670
  455   1HB   PRO  62           HBS      PRO  62 -15.645  -6.528   9.256
  456   2HB   PRO  62           HBR      PRO  62 -14.062  -6.207   9.549
  457   1HG   PRO  62           HGS      PRO  62 -16.067  -4.485   8.658
  458   2HG   PRO  62           HGR      PRO  62 -14.598  -4.089   9.345
  459   1HD   PRO  62           HDS      PRO  62 -15.183  -3.820   6.752
  460   2HD   PRO  62           HDR      PRO  62 -13.652  -3.842   7.376
  461    H    LYS  63           HN       LYS  63 -14.565  -9.167   8.306
  462    HA   LYS  63           HA       LYS  63 -16.982  -9.785   6.676
  463   1HB   LYS  63           HBR      LYS  63 -16.476 -12.161   7.305
  464   2HB   LYS  63           HBS      LYS  63 -15.293 -11.383   6.215
  465   1HG   LYS  63           HGR      LYS  63 -13.706 -12.134   7.607
  466   2HG   LYS  63           HGS      LYS  63 -14.271 -10.890   8.760
  467   1HD   LYS  63           HDS      LYS  63 -14.694 -12.500  10.188
  468   2HD   LYS  63           HDR      LYS  63 -16.050 -12.911   9.174
  469   1HE   LYS  63           HES      LYS  63 -13.293 -14.114   8.944
  470   2HE   LYS  63           HER      LYS  63 -14.723 -14.862   9.710
  471   1HZ   LYS  63           HZB      LYS  63 -15.678 -14.274   7.337
  472   2HZ   LYS  63           HZC      LYS  63 -14.116 -14.506   6.918
  473   3HZ   LYS  63           HZA      LYS  63 -14.949 -15.697   7.666
  474    H    GLY  64           HN       GLY  64 -15.498 -10.212   9.905
  475   1HA   GLY  64           HAR      GLY  64 -17.476  -9.422  11.532
  476   2HA   GLY  64           HAS      GLY  64 -18.050 -11.057  11.114
  477    H    PHE  65           HN       PHE  65 -17.780 -11.297  13.491
  478    HA   PHE  65           HA       PHE  65 -15.094 -12.434  14.051
  479   1HB   PHE  65           HBR      PHE  65 -16.532 -10.297  15.627
  480   2HB   PHE  65           HBS      PHE  65 -15.540 -11.515  16.479
  481    HD1  PHE  65           HD2      PHE  65 -13.128 -11.874  14.995
  482    HD2  PHE  65           HD1      PHE  65 -15.534  -8.368  15.272
  483    HE1  PHE  65           HE2      PHE  65 -11.145 -10.483  14.499
  484    HE2  PHE  65           HE1      PHE  65 -13.582  -6.965  14.785
  485    HZ   PHE  65           HZ       PHE  65 -11.374  -8.015  14.458
  486    H    GLY  66           HN       GLY  66 -17.922 -11.875  16.131
  487   1HA   GLY  66           HAR      GLY  66 -19.425 -13.298  17.139
  488   2HA   GLY  66           HAS      GLY  66 -19.268 -14.277  15.656
  489    H    ARG  67           HN       ARG  67 -16.790 -13.480  18.096
  490    HA   ARG  67           HA       ARG  67 -16.120 -16.306  18.315
  491   1HB   ARG  67           HBS      ARG  67 -14.358 -14.633  18.073
  492   2HB   ARG  67           HBR      ARG  67 -14.878 -13.847  19.592
  493   1HG   ARG  67           HGS      ARG  67 -13.709 -15.278  20.850
  494   2HG   ARG  67           HGR      ARG  67 -14.306 -16.695  19.941
  495   1HD   ARG  67           HDS      ARG  67 -12.260 -16.894  19.140
  496   2HD   ARG  67           HDR      ARG  67 -12.602 -15.434  18.169
  497    HE   ARG  67           HE       ARG  67 -11.444 -14.117  19.806
  498   1HH1  ARG  67           HH1      ARG  67 -11.442 -17.542  20.645
  499   2HH1  ARG  67           HH1      ARG  67  -9.994 -17.422  21.587
  500   1HH2  ARG  67           HH2      ARG  67  -9.484 -14.026  20.940
  501   2HH2  ARG  67           HH2      ARG  67  -8.886 -15.433  21.755
  502    H    GLY  68           HN       GLY  68 -16.111 -13.914  20.944
  503   1HA   GLY  68           HAR      GLY  68 -17.716 -13.759  22.687
  504   2HA   GLY  68           HAS      GLY  68 -18.210 -15.443  22.370
  505    H    GLY  69           HN       GLY  69 -16.929 -17.157  23.140
  506   1HA   GLY  69           HAS      GLY  69 -14.737 -16.668  25.031
  507   2HA   GLY  69           HAR      GLY  69 -16.318 -17.037  25.769
  508    H    ALA  70           HN       ALA  70 -14.390 -18.759  26.325
  509    HA   ALA  70           HA       ALA  70 -14.755 -21.070  24.475
  510   1HB   ALA  70           HMB      ALA  70 -12.398 -20.365  24.832
  511   2HB   ALA  70           HMB      ALA  70 -12.603 -20.692  26.573
  512   3HB   ALA  70           HMB      ALA  70 -12.753 -22.018  25.393
  513    H    GLU  71           HN       GLU  71 -15.414 -19.647  27.530
  514    HA   GLU  71           HA       GLU  71 -16.881 -20.245  29.187
  515   1HB   GLU  71           HBR      GLU  71 -17.839 -21.134  26.730
  516   2HB   GLU  71           HBS      GLU  71 -17.864 -22.527  27.666
  517   1HG   GLU  71           HGS      GLU  71 -19.165 -21.514  29.441
  518   2HG   GLU  71           HGR      GLU  71 -19.282 -19.972  28.550
  519    H    SER  72           HN       SER  72 -17.966 -22.820  29.753
  520    HA   SER  72           HA       SER  72 -17.528 -24.552  31.175
  521   1HB   SER  72           HBS      SER  72 -16.085 -25.427  29.363
  522   2HB   SER  72           HBR      SER  72 -14.703 -24.546  30.074
  523    HG   SER  72           HG       SER  72 -14.443 -25.917  31.575
  524    H    HIS  73           HN       HIS  73 -17.879 -23.255  32.932
  525    HA   HIS  73           HA       HIS  73 -15.606 -23.184  34.688
  526   1HB   HIS  73           HBR      HIS  73 -15.928 -20.831  35.489
  527   2HB   HIS  73           HBS      HIS  73 -15.187 -20.961  33.867
  528    HD1  HIS  73           HD1      HIS  73 -16.985 -18.471  35.095
  529    HD2  HIS  73           HD2      HIS  73 -18.093 -21.318  32.262
  530    HE1  HIS  73           HE1      HIS  73 -18.751 -17.403  33.673
  531    HE2  HIS  73           HE2      HIS  73 -19.410 -19.114  31.943
  532    H    THR  74           HN       THR  74 -16.920 -24.758  35.648
  533    HA   THR  74           HA       THR  74 -19.529 -23.846  36.743
  534    HB   THR  74           HB       THR  74 -20.063 -26.210  37.130
  535    HG1  THR  74           HG1      THR  74 -18.577 -27.119  37.600
  536   1HG2  THR  74           HMG      THR  74 -20.059 -25.134  34.665
  537   2HG2  THR  74           HMG      THR  74 -18.963 -26.512  34.392
  538   3HG2  THR  74           HMG      THR  74 -20.610 -26.792  35.013
  539    H    PHE  75           HN       PHE  75 -16.251 -24.513  37.490
  540    HA   PHE  75           HA       PHE  75 -16.892 -24.227  40.385
  541   1HB   PHE  75           HBS      PHE  75 -15.561 -26.322  39.809
  542   2HB   PHE  75           HBR      PHE  75 -14.233 -25.238  39.304
  543    HD1  PHE  75           HD2      PHE  75 -13.690 -23.333  41.233
  544    HD2  PHE  75           HD1      PHE  75 -15.567 -27.104  41.873
  545    HE1  PHE  75           HE2      PHE  75 -12.957 -23.289  43.594
  546    HE2  PHE  75           HE1      PHE  75 -14.849 -27.086  44.219
  547    HZ   PHE  75           HZ       PHE  75 -13.491 -25.210  45.068
  548    H    LYS  76           HN       LYS  76 -14.511 -23.407  37.839
  549    HA   LYS  76           HA       LYS  76 -13.091 -21.539  39.383
  550   1HB   LYS  76           HBR      LYS  76 -13.231 -22.299  36.533
  551   2HB   LYS  76           HBS      LYS  76 -12.708 -20.619  36.839
  552   1HG   LYS  76           HGR      LYS  76 -11.234 -22.097  38.677
  553   2HG   LYS  76           HGS      LYS  76 -11.268 -23.147  37.232
  554   1HD   LYS  76           HDS      LYS  76 -10.312 -20.288  37.372
  555   2HD   LYS  76           HDR      LYS  76  -9.329 -21.721  37.249
  556   1HE   LYS  76           HES      LYS  76 -11.109 -20.508  35.167
  557   2HE   LYS  76           HER      LYS  76  -9.371 -20.915  35.095
  558   1HZ   LYS  76           HZB      LYS  76 -10.107 -23.262  35.304
  559   2HZ   LYS  76           HZC      LYS  76 -11.645 -22.770  35.067
  560   3HZ   LYS  76           HZA      LYS  76 -10.524 -22.540  33.900
   
  No H/Q in entry =         560
  Start of MODEL   22
    1    H    PRO   1           HN       PRO   1  15.707   0.959   5.551
    2    HA   PRO   1           HA       PRO   1  13.926   2.342   4.898
    3   1HB   PRO   1           HBR      PRO   1  15.315   3.938   3.071
    4   2HB   PRO   1           HBS      PRO   1  14.324   4.419   4.289
    5   1HG   PRO   1           HGR      PRO   1  16.963   4.718   4.289
    6   2HG   PRO   1           HGS      PRO   1  15.983   4.801   5.638
    7   1HD   PRO   1           HDS      PRO   1  17.726   2.737   4.866
    8   2HD   PRO   1           HDR      PRO   1  17.085   3.038   6.361
    9    H    LYS   2           HN       LYS   2  13.338   0.314   4.187
   10    HA   LYS   2           HA       LYS   2  14.180  -0.260   1.387
   11   1HB   LYS   2           HBS      LYS   2  13.948  -1.911   3.853
   12   2HB   LYS   2           HBR      LYS   2  13.405  -2.662   2.325
   13   1HG   LYS   2           HGS      LYS   2  15.895  -1.420   1.771
   14   2HG   LYS   2           HGR      LYS   2  16.089  -2.275   3.329
   15   1HD   LYS   2           HDS      LYS   2  14.661  -3.832   1.302
   16   2HD   LYS   2           HDR      LYS   2  16.222  -3.299   0.742
   17   1HE   LYS   2           HES      LYS   2  15.635  -4.963   3.180
   18   2HE   LYS   2           HER      LYS   2  16.532  -5.417   1.704
   19   1HZ   LYS   2           HZB      LYS   2  17.759  -3.194   2.747
   20   2HZ   LYS   2           HZC      LYS   2  17.492  -4.186   4.019
   21   3HZ   LYS   2           HZA      LYS   2  18.329  -4.726   2.723
   22    H    CYS   3           HN       CYS   3  12.719  -1.262  -0.004
   23    HA   CYS   3           HA       CYS   3  10.203  -0.053   0.179
   24   1HB   CYS   3           HBS      CYS   3  11.703  -0.490  -1.829
   25   2HB   CYS   3           HBR      CYS   3  10.996  -2.131  -1.850
   26    HA   PRO   4           HA       PRO   4   7.746  -3.409   1.834
   27   1HB   PRO   4           HBR      PRO   4   5.523  -1.840   1.695
   28   2HB   PRO   4           HBS      PRO   4   6.373  -2.202   3.052
   29   1HG   PRO   4           HGS      PRO   4   6.187   0.217   1.909
   30   2HG   PRO   4           HGR      PRO   4   7.226  -0.203   3.145
   31   1HD   PRO   4           HDS      PRO   4   7.785   0.077   0.388
   32   2HD   PRO   4           HDR      PRO   4   8.825   0.214   1.668
   33    H    LYS   5           HN       LYS   5   7.823  -1.909  -1.089
   34    HA   LYS   5           HA       LYS   5   5.552  -3.423  -2.241
   35   1HB   LYS   5           HBR      LYS   5   6.652  -0.946  -2.857
   36   2HB   LYS   5           HBS      LYS   5   7.316  -2.030  -4.112
   37   1HG   LYS   5           HGR      LYS   5   4.594  -2.707  -3.933
   38   2HG   LYS   5           HGS      LYS   5   4.636  -0.924  -3.831
   39   1HD   LYS   5           HDR      LYS   5   5.366  -0.647  -5.909
   40   2HD   LYS   5           HDS      LYS   5   6.374  -2.069  -5.904
   41   1HE   LYS   5           HES      LYS   5   4.532  -2.225  -7.518
   42   2HE   LYS   5           HER      LYS   5   4.433  -3.484  -6.255
   43   1HZ   LYS   5           HZC      LYS   5   2.922  -1.801  -5.120
   44   2HZ   LYS   5           HZA      LYS   5   2.779  -1.105  -6.591
   45   3HZ   LYS   5           HZB      LYS   5   2.318  -2.656  -6.374
   46    H    CYS   6           HN       CYS   6   8.869  -2.794  -3.418
   47    HA   CYS   6           HA       CYS   6   8.658  -5.361  -4.790
   48   1HB   CYS   6           HBS      CYS   6  10.507  -4.587  -6.155
   49   2HB   CYS   6           HBR      CYS   6   9.160  -3.419  -6.092
   50    H    ASP   7           HN       ASP   7  10.176  -4.186  -1.988
   51    HA   ASP   7           HA       ASP   7  11.761  -4.979  -0.585
   52   1HB   ASP   7           HBS      ASP   7  10.582  -7.193  -1.273
   53   2HB   ASP   7           HBR      ASP   7  12.119  -7.505  -2.130
   54    H    LYS   8           HN       LYS   8  12.658  -3.128  -2.037
   55    HA   LYS   8           HA       LYS   8  15.457  -4.037  -2.274
   56   1HB   LYS   8           HBR      LYS   8  13.989  -2.666  -4.374
   57   2HB   LYS   8           HBS      LYS   8  15.349  -1.674  -3.775
   58   1HG   LYS   8           HGS      LYS   8  16.839  -2.936  -4.865
   59   2HG   LYS   8           HGR      LYS   8  16.173  -4.435  -4.156
   60   1HD   LYS   8           HDS      LYS   8  14.492  -3.270  -6.254
   61   2HD   LYS   8           HDR      LYS   8  16.114  -3.586  -6.804
   62   1HE   LYS   8           HER      LYS   8  15.368  -5.620  -7.238
   63   2HE   LYS   8           HES      LYS   8  15.613  -5.902  -5.491
   64   1HZ   LYS   8           HZC      LYS   8  13.229  -4.959  -5.384
   65   2HZ   LYS   8           HZA      LYS   8  13.141  -5.429  -6.946
   66   3HZ   LYS   8           HZB      LYS   8  13.467  -6.526  -5.781
   67    H    GLU   9           HN       GLU   9  16.734  -1.691  -2.322
   68    HA   GLU   9           HA       GLU   9  15.735  -0.288   0.124
   69   1HB   GLU   9           HBS      GLU   9  18.399   0.306  -0.850
   70   2HB   GLU   9           HBR      GLU   9  17.868   0.181   0.730
   71   1HG   GLU   9           HGS      GLU   9  17.834  -2.389   0.347
   72   2HG   GLU   9           HGR      GLU   9  18.740  -2.094  -1.161
   73    H    VAL  10           HN       VAL  10  15.696   1.953   0.104
   74    HA   VAL  10           HA       VAL  10  14.954   2.778  -2.629
   75    HB   VAL  10           HB       VAL  10  13.796   3.272   0.109
   76   1HG1  VAL  10           HMG      VAL  10  13.708   5.383  -1.324
   77   2HG1  VAL  10           HMG      VAL  10  12.605   4.480  -2.389
   78   3HG1  VAL  10           HMG      VAL  10  12.168   4.761  -0.687
   79   1HG2  VAL  10           HMG      VAL  10  13.415   1.235  -1.634
   80   2HG2  VAL  10           HMG      VAL  10  12.234   1.776  -0.418
   81   3HG2  VAL  10           HMG      VAL  10  12.096   2.342  -2.099
   82    H    TYR  11           HN       TYR  11  15.937   4.347  -3.608
   83    HA   TYR  11           HA       TYR  11  18.046   5.850  -2.208
   84   1HB   TYR  11           HBR      TYR  11  18.408   4.866  -4.479
   85   2HB   TYR  11           HBS      TYR  11  17.173   5.986  -5.117
   86    HD1  TYR  11           HD2      TYR  11  17.603   8.499  -4.782
   87    HD2  TYR  11           HD1      TYR  11  20.664   5.585  -4.307
   88    HE1  TYR  11           HE2      TYR  11  19.299  10.243  -5.093
   89    HE2  TYR  11           HE1      TYR  11  22.373   7.320  -4.640
   90    HH   TYR  11           HH       TYR  11  21.443  10.512  -5.795
   91    H    PHE  12           HN       PHE  12  18.118   8.107  -2.150
   92    HA   PHE  12           HA       PHE  12  15.901   8.958  -0.841
   93   1HB   PHE  12           HBS      PHE  12  18.415   9.976  -1.046
   94   2HB   PHE  12           HBR      PHE  12  17.496  11.222  -1.942
   95    HD1  PHE  12           HD2      PHE  12  16.356   9.221   1.052
   96    HD2  PHE  12           HD1      PHE  12  17.588  12.982  -0.525
   97    HE1  PHE  12           HE2      PHE  12  15.665  10.323   3.156
   98    HE2  PHE  12           HE1      PHE  12  16.904  14.101   1.548
   99    HZ   PHE  12           HZ       PHE  12  15.888  12.782   3.369
  100    H    ALA  13           HN       ALA  13  16.967  10.566  -3.865
  101    HA   ALA  13           HA       ALA  13  14.639  11.923  -4.137
  102   1HB   ALA  13           HMB      ALA  13  16.713  11.137  -6.209
  103   2HB   ALA  13           HMB      ALA  13  15.460  12.371  -6.500
  104   3HB   ALA  13           HMB      ALA  13  16.673  12.619  -5.218
  105    H    GLU  14           HN       GLU  14  14.932   8.670  -4.747
  106    HA   GLU  14           HA       GLU  14  12.559   8.654  -6.532
  107   1HB   GLU  14           HBR      GLU  14  13.790   6.141  -5.588
  108   2HB   GLU  14           HBS      GLU  14  13.113   6.571  -7.058
  109   1HG   GLU  14           HGR      GLU  14  15.488   8.206  -6.818
  110   2HG   GLU  14           HGS      GLU  14  15.865   6.502  -6.446
  111    H    ARG  15           HN       ARG  15  12.733   9.295  -3.506
  112    HA   ARG  15           HA       ARG  15  11.558   6.914  -2.270
  113   1HB   ARG  15           HBR      ARG  15  11.837   7.974  -0.180
  114   2HB   ARG  15           HBS      ARG  15  13.311   8.303  -1.130
  115   1HG   ARG  15           HGS      ARG  15  13.043  10.389  -0.344
  116   2HG   ARG  15           HGR      ARG  15  11.864  10.536  -1.679
  117   1HD   ARG  15           HDS      ARG  15  10.090   9.810  -0.117
  118   2HD   ARG  15           HDR      ARG  15  11.295   9.835   1.201
  119    HE   ARG  15           HE       ARG  15  10.098  12.152  -0.149
  120   1HH1  ARG  15           HH1      ARG  15  12.269  10.868   2.314
  121   2HH1  ARG  15           HH1      ARG  15  12.594  12.427   2.997
  122   1HH2  ARG  15           HH2      ARG  15  10.642  14.186   0.690
  123   2HH2  ARG  15           HH2      ARG  15  11.670  14.304   2.081
  124    H    VAL  16           HN       VAL  16   9.612   6.832  -1.169
  125    HA   VAL  16           HA       VAL  16   8.099   9.260  -0.843
  126    HB   VAL  16           HB       VAL  16   5.983   8.515  -1.676
  127   1HG1  VAL  16           HMG      VAL  16   7.596   9.673  -3.228
  128   2HG1  VAL  16           HMG      VAL  16   7.946   8.076  -3.933
  129   3HG1  VAL  16           HMG      VAL  16   6.297   8.742  -4.012
  130   1HG2  VAL  16           HMG      VAL  16   6.492   6.042  -1.305
  131   2HG2  VAL  16           HMG      VAL  16   5.512   6.482  -2.727
  132   3HG2  VAL  16           HMG      VAL  16   7.233   6.074  -2.924
  133    H    THR  17           HN       THR  17   6.657   9.155   0.888
  134    HA   THR  17           HA       THR  17   7.446   6.974   2.754
  135    HB   THR  17           HB       THR  17   6.698   9.804   3.628
  136    HG1  THR  17           HG1      THR  17   8.587  10.328   3.511
  137   1HG2  THR  17           HMG      THR  17   7.727   7.409   4.934
  138   2HG2  THR  17           HMG      THR  17   8.744   8.842   5.231
  139   3HG2  THR  17           HMG      THR  17   7.008   8.882   5.634
  140    H    SER  18           HN       SER  18   5.977   6.053   4.067
  141    HA   SER  18           HA       SER  18   3.304   6.795   4.452
  142   1HB   SER  18           HBS      SER  18   3.175   6.564   1.972
  143   2HB   SER  18           HBR      SER  18   3.544   4.825   2.160
  144    HG   SER  18           HG       SER  18   1.281   6.439   2.864
  145    H    LEU  19           HN       LEU  19   2.383   5.506   5.904
  146    HA   LEU  19           HA       LEU  19   2.382   4.054   7.674
  147   1HB   LEU  19           HBR      LEU  19   3.282   2.308   5.368
  148   2HB   LEU  19           HBS      LEU  19   2.806   1.679   6.971
  149    HG   LEU  19           HG       LEU  19   0.959   1.378   5.522
  150   1HD1  LEU  19           HMD      LEU  19   0.774   2.811   7.839
  151   2HD1  LEU  19           HMD      LEU  19  -0.026   3.909   6.686
  152   3HD1  LEU  19           HMD      LEU  19  -0.618   2.241   6.884
  153   1HD2  LEU  19           HMD      LEU  19   1.870   3.093   3.876
  154   2HD2  LEU  19           HMD      LEU  19   0.100   3.045   4.072
  155   3HD2  LEU  19           HMD      LEU  19   1.048   4.331   4.861
  156    H    GLY  20           HN       GLY  20   4.719   5.687   7.382
  157   1HA   GLY  20           HAR      GLY  20   6.591   6.017   8.675
  158   2HA   GLY  20           HAS      GLY  20   6.060   4.584   9.597
  159    H    LYS  21           HN       LYS  21   6.541   4.106   6.220
  160    HA   LYS  21           HA       LYS  21   9.429   3.739   6.415
  161   1HB   LYS  21           HBS      LYS  21   9.147   1.516   5.087
  162   2HB   LYS  21           HBR      LYS  21   9.085   1.509   6.872
  163   1HG   LYS  21           HGS      LYS  21   6.443   1.847   6.266
  164   2HG   LYS  21           HGR      LYS  21   6.987   0.862   4.878
  165   1HD   LYS  21           HDS      LYS  21   6.943  -0.957   6.139
  166   2HD   LYS  21           HDR      LYS  21   8.122  -0.248   7.210
  167   1HE   LYS  21           HES      LYS  21   6.355   0.837   8.507
  168   2HE   LYS  21           HER      LYS  21   5.141   0.104   7.420
  169   1HZ   LYS  21           HZB      LYS  21   6.510  -2.015   8.154
  170   2HZ   LYS  21           HZC      LYS  21   6.703  -1.116   9.503
  171   3HZ   LYS  21           HZA      LYS  21   5.202  -1.478   8.971
  172    H    ASP  22           HN       ASP  22  10.420   3.621   4.337
  173    HA   ASP  22           HA       ASP  22   8.953   5.345   2.540
  174   1HB   ASP  22           HBS      ASP  22  11.809   4.489   2.185
  175   2HB   ASP  22           HBR      ASP  22  10.994   5.989   1.655
  176    H    TRP  23           HN       TRP  23   9.293   5.141   0.156
  177    HA   TRP  23           HA       TRP  23   9.380   2.331  -0.804
  178   1HB   TRP  23           HBR      TRP  23   7.325   4.415  -1.546
  179   2HB   TRP  23           HBS      TRP  23   7.340   2.678  -1.987
  180    HD1  TRP  23           HD1      TRP  23   6.740   5.022   1.025
  181    HE1  TRP  23           HE1      TRP  23   5.028   3.903   2.585
  182    HE3  TRP  23           HE3      TRP  23   6.269   0.599  -1.439
  183    HZ2  TRP  23           HZ2      TRP  23   3.530   1.532   2.611
  184    HZ3  TRP  23           HZ3      TRP  23   4.675  -1.057  -0.586
  185    HH2  TRP  23           HH2      TRP  23   3.284  -0.585   1.360
  186    H    HIS  24           HN       ZHI  24   9.331   2.314  -3.261
  187    HA   HIS  24           HA       ZHI  24  11.025   4.421  -4.371
  188   1HB   HIS  24           HBS      ZHI  24   9.868   1.951  -5.741
  189   2HB   HIS  24           HBR      ZHI  24  11.076   3.077  -6.425
  190    HD2  HIS  24           HD2      ZHI  24  13.238   3.288  -4.157
  191    HE1  HIS  24           HE1      ZHI  24  12.851  -0.778  -3.270
  192    HE2  HIS  24           HE2      ZHI  24  14.438   1.176  -3.265
  193    H    ARG  25           HN       ARG  25  10.527   5.817  -5.980
  194    HA   ARG  25           HA       ARG  25   8.052   7.033  -5.652
  195   1HB   ARG  25           HBR      ARG  25  10.106   8.185  -6.443
  196   2HB   ARG  25           HBS      ARG  25   9.914   7.380  -8.027
  197   1HG   ARG  25           HGS      ARG  25   8.982   9.427  -8.472
  198   2HG   ARG  25           HGR      ARG  25   7.534   8.515  -7.959
  199   1HD   ARG  25           HDS      ARG  25   7.675   9.438  -5.752
  200   2HD   ARG  25           HDR      ARG  25   9.219  10.245  -6.148
  201    HE   ARG  25           HE       ARG  25   7.649  11.368  -7.974
  202   1HH1  ARG  25           HH1      ARG  25   7.192  10.894  -4.511
  203   2HH1  ARG  25           HH1      ARG  25   6.010  12.153  -4.384
  204   1HH2  ARG  25           HH2      ARG  25   6.007  12.919  -7.794
  205   2HH2  ARG  25           HH2      ARG  25   5.339  13.301  -6.240
  206    HA   PRO  26           HA       PRO  26   6.794   5.020  -9.853
  207   1HB   PRO  26           HBR      PRO  26   8.212   2.805 -10.454
  208   2HB   PRO  26           HBS      PRO  26   8.321   4.246 -11.231
  209   1HG   PRO  26           HGR      PRO  26  10.131   3.123  -9.424
  210   2HG   PRO  26           HGS      PRO  26  10.377   4.333 -10.547
  211   1HD   PRO  26           HDS      PRO  26  10.154   4.713  -7.902
  212   2HD   PRO  26           HDR      PRO  26  10.018   5.898  -9.048
  213    H    CYS  27           HN       CYS  27   7.905   3.005  -7.309
  214    HA   CYS  27           HA       CYS  27   6.356   0.765  -7.898
  215   1HB   CYS  27           HBS      CYS  27   7.791   1.788  -5.502
  216   2HB   CYS  27           HBR      CYS  27   6.573   0.507  -5.239
  217    H    LEU  28           HN       LEU  28   5.604   3.524  -5.774
  218    HA   LEU  28           HA       LEU  28   3.521   2.291  -4.385
  219   1HB   LEU  28           HBR      LEU  28   4.920   4.386  -3.920
  220   2HB   LEU  28           HBS      LEU  28   3.720   5.258  -4.918
  221    HG   LEU  28           HG       LEU  28   2.000   4.219  -3.243
  222   1HD1  LEU  28           HMD      LEU  28   4.382   3.214  -2.169
  223   2HD1  LEU  28           HMD      LEU  28   3.940   4.577  -1.110
  224   3HD1  LEU  28           HMD      LEU  28   2.781   3.252  -1.388
  225   1HD2  LEU  28           HMD      LEU  28   3.728   6.596  -3.238
  226   2HD2  LEU  28           HMD      LEU  28   1.959   6.457  -3.075
  227   3HD2  LEU  28           HMD      LEU  28   3.006   6.229  -1.652
  228    H    LYS  29           HN       LYS  29   2.133   1.205  -5.727
  229    HA   LYS  29           HA       LYS  29   0.346   2.831  -7.464
  230   1HB   LYS  29           HBR      LYS  29   2.028   0.440  -8.267
  231   2HB   LYS  29           HBS      LYS  29   0.607   1.010  -9.189
  232   1HG   LYS  29           HGS      LYS  29   1.798   3.287  -9.284
  233   2HG   LYS  29           HGR      LYS  29   3.256   2.413  -8.732
  234   1HD   LYS  29           HDS      LYS  29   2.862   0.863 -10.715
  235   2HD   LYS  29           HDR      LYS  29   1.632   1.981 -11.239
  236   1HE   LYS  29           HES      LYS  29   3.667   3.712 -10.886
  237   2HE   LYS  29           HER      LYS  29   4.556   2.225 -11.323
  238   1HZ   LYS  29           HZB      LYS  29   2.911   2.096 -13.205
  239   2HZ   LYS  29           HZC      LYS  29   2.535   3.653 -12.884
  240   3HZ   LYS  29           HZA      LYS  29   4.059   3.253 -13.313
  241    H    CYS  30           HN       CYS  30  -1.678   2.055  -7.695
  242    HA   CYS  30           HA       CYS  30  -2.738  -0.032  -6.032
  243   1HB   CYS  30           HBS      CYS  30  -3.899   1.985  -7.236
  244   2HB   CYS  30           HBR      CYS  30  -4.064   0.808  -8.572
  245    H    GLU  31           HN       GLU  31  -2.481  -2.102  -6.225
  246    HA   GLU  31           HA       GLU  31  -2.142  -3.326  -8.930
  247   1HB   GLU  31           HBS      GLU  31  -1.702  -5.336  -7.607
  248   2HB   GLU  31           HBR      GLU  31  -0.481  -4.187  -7.578
  249   1HG   GLU  31           HGR      GLU  31  -1.726  -3.423  -5.264
  250   2HG   GLU  31           HGS      GLU  31  -2.437  -5.048  -5.459
  251    H    LYS  32           HN       LYS  32  -4.533  -2.022  -7.911
  252    HA   LYS  32           HA       LYS  32  -6.348  -4.390  -8.000
  253   1HB   LYS  32           HBS      LYS  32  -6.333  -2.618  -5.979
  254   2HB   LYS  32           HBR      LYS  32  -7.388  -1.741  -7.123
  255   1HG   LYS  32           HGR      LYS  32  -8.621  -3.180  -5.476
  256   2HG   LYS  32           HGS      LYS  32  -8.957  -3.571  -7.188
  257   1HD   LYS  32           HDS      LYS  32  -8.715  -5.573  -5.823
  258   2HD   LYS  32           HDR      LYS  32  -7.579  -5.471  -7.139
  259   1HE   LYS  32           HES      LYS  32  -5.769  -5.328  -5.808
  260   2HE   LYS  32           HER      LYS  32  -6.640  -4.383  -4.567
  261   1HZ   LYS  32           HZA      LYS  32  -6.999  -7.264  -5.035
  262   2HZ   LYS  32           HZB      LYS  32  -6.075  -6.621  -3.850
  263   3HZ   LYS  32           HZC      LYS  32  -7.691  -6.379  -3.847
  264    H    CYS  33           HN       CYS  33  -6.184  -0.893  -8.789
  265    HA   CYS  33           HA       CYS  33  -7.575  -1.542 -11.314
  266   1HB   CYS  33           HBS      CYS  33  -8.231   0.760 -11.417
  267   2HB   CYS  33           HBR      CYS  33  -8.666   0.026  -9.850
  268    H    GLY  34           HN       GLY  34  -4.481  -0.736 -10.150
  269   1HA   GLY  34           HAR      GLY  34  -2.488  -0.416 -11.271
  270   2HA   GLY  34           HAS      GLY  34  -3.382  -0.548 -12.808
  271    H    LYS  35           HN       LYS  35  -3.903   1.727 -10.112
  272    HA   LYS  35           HA       LYS  35  -3.236   4.002 -11.910
  273   1HB   LYS  35           HBR      LYS  35  -5.410   4.048 -10.654
  274   2HB   LYS  35           HBS      LYS  35  -4.463   4.086  -9.138
  275   1HG   LYS  35           HGS      LYS  35  -3.993   6.281  -9.349
  276   2HG   LYS  35           HGR      LYS  35  -3.654   6.136 -11.097
  277   1HD   LYS  35           HDS      LYS  35  -6.419   6.205  -9.855
  278   2HD   LYS  35           HDR      LYS  35  -5.558   7.623 -10.389
  279   1HE   LYS  35           HES      LYS  35  -5.357   6.095 -12.617
  280   2HE   LYS  35           HER      LYS  35  -6.927   5.560 -11.952
  281   1HZ   LYS  35           HZC      LYS  35  -7.437   7.983 -11.780
  282   2HZ   LYS  35           HZA      LYS  35  -6.125   8.276 -12.708
  283   3HZ   LYS  35           HZB      LYS  35  -7.363   7.386 -13.298
  284    H    THR  36           HN       THR  36  -1.466   5.161 -11.608
  285    HA   THR  36           HA       THR  36   0.506   4.515  -9.568
  286    HB   THR  36           HB       THR  36   0.389   6.970 -11.406
  287    HG1  THR  36           HG1      THR  36   0.386   5.647 -12.645
  288   1HG2  THR  36           HMG      THR  36   2.339   6.010  -9.453
  289   2HG2  THR  36           HMG      THR  36   3.035   6.255 -11.074
  290   3HG2  THR  36           HMG      THR  36   2.196   7.595 -10.255
  291    H    LEU  37           HN       LEU  37   1.018   5.675  -7.772
  292    HA   LEU  37           HA       LEU  37  -1.295   7.191  -6.706
  293   1HB   LEU  37           HBR      LEU  37   0.860   5.542  -5.348
  294   2HB   LEU  37           HBS      LEU  37  -0.542   6.309  -4.551
  295    HG   LEU  37           HG       LEU  37  -0.660   4.076  -6.597
  296   1HD1  LEU  37           HMD      LEU  37  -0.454   4.160  -3.652
  297   2HD1  LEU  37           HMD      LEU  37  -1.777   3.148  -4.284
  298   3HD1  LEU  37           HMD      LEU  37  -0.097   2.841  -4.795
  299   1HD2  LEU  37           HMD      LEU  37  -2.526   5.899  -6.332
  300   2HD2  LEU  37           HMD      LEU  37  -2.964   4.173  -6.402
  301   3HD2  LEU  37           HMD      LEU  37  -2.905   5.015  -4.833
  302    H    THR  38           HN       THR  38  -0.863   8.797  -5.043
  303    HA   THR  38           HA       THR  38   1.378  10.510  -6.000
  304    HB   THR  38           HB       THR  38  -1.014  11.140  -6.700
  305    HG1  THR  38           HG1      THR  38  -0.346  12.809  -6.835
  306   1HG2  THR  38           HMG      THR  38  -2.000  10.669  -4.374
  307   2HG2  THR  38           HMG      THR  38  -1.315  12.249  -3.914
  308   3HG2  THR  38           HMG      THR  38  -2.521  12.146  -5.223
  309    H    SER  39           HN       SER  39   1.127  12.595  -4.296
  310    HA   SER  39           HA       SER  39   2.988  11.744  -2.444
  311   1HB   SER  39           HBR      SER  39   2.944  14.017  -3.191
  312   2HB   SER  39           HBS      SER  39   1.336  14.278  -2.455
  313    HG   SER  39           HG       SER  39   3.276  15.126  -1.344
  314    H    GLY  40           HN       GLY  40  -0.435  11.647  -2.203
  315   1HA   GLY  40           HAR      GLY  40  -0.499  10.019   0.018
  316   2HA   GLY  40           HAS      GLY  40  -0.724  11.657   0.688
  317    H    GLY  41           HN       GLY  41  -1.891   9.590  -2.000
  318   1HA   GLY  41           HAR      GLY  41  -4.635  10.014  -0.960
  319   2HA   GLY  41           HAS      GLY  41  -4.365  10.189  -2.714
  320    H    HIS  42           HN       HIS  42  -2.211   7.963  -1.301
  321    HA   HIS  42           HA       HIS  42  -3.851   5.717  -2.204
  322   1HB   HIS  42           HBS      HIS  42  -1.794   4.450  -2.298
  323   2HB   HIS  42           HBR      HIS  42  -1.549   6.039  -3.082
  324    HD1  HIS  42           HD1      HIS  42   0.031   3.821  -0.645
  325    HD2  HIS  42           HD2      HIS  42  -0.266   7.939  -1.201
  326    HE1  HIS  42           HE1      HIS  42   1.780   4.860   0.821
  327    HE2  HIS  42           HE2      HIS  42   1.616   7.351   0.476
  328    H    ALA  43           HN       ALA  43  -2.742   3.599  -0.945
  329    HA   ALA  43           HA       ALA  43  -2.543   4.059   1.925
  330   1HB   ALA  43           HMB      ALA  43  -4.696   2.284   0.755
  331   2HB   ALA  43           HMB      ALA  43  -4.115   2.176   2.437
  332   3HB   ALA  43           HMB      ALA  43  -4.892   3.670   1.858
  333    H    GLU  44           HN       GLU  44  -2.452   1.506   2.806
  334    HA   GLU  44           HA       GLU  44  -1.538  -0.390   0.867
  335   1HB   GLU  44           HBR      GLU  44   0.694  -0.641   1.441
  336   2HB   GLU  44           HBS      GLU  44   0.430   0.997   1.190
  337   1HG   GLU  44           HGR      GLU  44   1.569   1.372   3.150
  338   2HG   GLU  44           HGS      GLU  44  -0.043   1.007   3.822
  339    H    HIS  45           HN       HIS  45  -1.914  -2.400   1.582
  340    HA   HIS  45           HA       HIS  45  -2.396  -2.804   4.491
  341   1HB   HIS  45           HBS      HIS  45  -4.373  -3.461   3.122
  342   2HB   HIS  45           HBR      HIS  45  -3.336  -4.591   2.202
  343    HD1  HIS  45           HD1      HIS  45  -4.506  -4.063   5.836
  344    HD2  HIS  45           HD2      HIS  45  -2.845  -6.980   3.370
  345    HE1  HIS  45           HE1      HIS  45  -4.430  -6.172   7.187
  346    HE2  HIS  45           HE2      HIS  45  -3.466  -7.953   5.687
  347    H    GLU  46           HN       GLU  46  -0.583  -3.438   5.383
  348    HA   GLU  46           HA       GLU  46   1.147  -4.823   5.975
  349   1HB   GLU  46           HBS      GLU  46  -0.779  -6.262   5.836
  350   2HB   GLU  46           HBR      GLU  46  -0.535  -6.615   4.213
  351   1HG   GLU  46           HGS      GLU  46   1.466  -7.876   4.699
  352   2HG   GLU  46           HGR      GLU  46   1.598  -7.221   6.353
  353    H    GLY  47           HN       GLY  47   1.492  -3.125   3.614
  354   1HA   GLY  47           HAR      GLY  47   3.794  -2.887   2.872
  355   2HA   GLY  47           HAS      GLY  47   3.807  -4.627   2.476
  356    H    LYS  48           HN       LYS  48   0.896  -4.129   1.490
  357    HA   LYS  48           HA       LYS  48   1.811  -3.633  -1.294
  358   1HB   LYS  48           HBS      LYS  48  -0.838  -4.868  -0.680
  359   2HB   LYS  48           HBR      LYS  48   0.304  -5.186  -2.017
  360   1HG   LYS  48           HGS      LYS  48   0.583  -6.131   0.863
  361   2HG   LYS  48           HGR      LYS  48   0.132  -7.131  -0.547
  362   1HD   LYS  48           HDR      LYS  48   2.328  -6.593  -1.543
  363   2HD   LYS  48           HDS      LYS  48   2.761  -5.679  -0.123
  364   1HE   LYS  48           HER      LYS  48   2.130  -7.964   1.079
  365   2HE   LYS  48           HES      LYS  48   2.540  -8.620  -0.532
  366   1HZ   LYS  48           HZA      LYS  48   4.408  -6.716   0.488
  367   2HZ   LYS  48           HZB      LYS  48   4.306  -8.076   1.385
  368   3HZ   LYS  48           HZC      LYS  48   4.672  -8.172  -0.204
  369    HA   PRO  49           HA       PRO  49  -0.576   0.080  -0.597
  370   1HB   PRO  49           HBR      PRO  49   0.599   1.421  -2.610
  371   2HB   PRO  49           HBS      PRO  49   1.048   1.499  -1.032
  372   1HG   PRO  49           HGS      PRO  49   2.318   0.171  -3.134
  373   2HG   PRO  49           HGR      PRO  49   2.963   0.661  -1.674
  374   1HD   PRO  49           HDS      PRO  49   2.342  -1.866  -2.298
  375   2HD   PRO  49           HDR      PRO  49   2.601  -1.304  -0.765
  376    H    TYR  50           HN       TYR  50  -2.116   1.386  -1.690
  377    HA   TYR  50           HA       TYR  50  -2.872   0.585  -4.352
  378   1HB   TYR  50           HBR      TYR  50  -4.785  -0.069  -2.077
  379   2HB   TYR  50           HBS      TYR  50  -5.183  -0.099  -3.818
  380    HD1  TYR  50           HD1      TYR  50  -3.054  -1.734  -1.214
  381    HD2  TYR  50           HD2      TYR  50  -4.849  -2.043  -5.057
  382    HE1  TYR  50           HE1      TYR  50  -2.532  -4.134  -1.258
  383    HE2  TYR  50           HE2      TYR  50  -4.368  -4.448  -5.098
  384    HH   TYR  50           HH       TYR  50  -2.272  -5.894  -2.623
  385    H    CYS  51           HN       CYS  51  -5.231   1.685  -4.699
  386    HA   CYS  51           HA       CYS  51  -5.408   4.382  -4.052
  387   1HB   CYS  51           HBS      CYS  51  -7.631   2.352  -4.355
  388   2HB   CYS  51           HBR      CYS  51  -7.888   4.112  -4.200
  389    H    ASN  52           HN       ASN  52  -5.802   5.568  -2.348
  390    HA   ASN  52           HA       ASN  52  -6.474   4.558   0.251
  391   1HB   ASN  52           HBS      ASN  52  -5.369   6.760  -0.251
  392   2HB   ASN  52           HBR      ASN  52  -6.979   7.356  -0.747
  393   1HD2  ASN  52           HD2      ASN  52  -7.762   8.298   2.491
  394   2HD2  ASN  52           HD2      ASN  52  -7.902   8.544   0.781
  395    H    HIS  53           HN       HIS  53  -8.294   5.568  -2.575
  396    HA   HIS  53           HA       HIS  53 -10.351   3.692  -1.806
  397   1HB   HIS  53           HBS      HIS  53 -11.028   6.656  -1.869
  398   2HB   HIS  53           HBR      HIS  53 -12.226   5.404  -2.309
  399    HD1  HIS  53           HD1      HIS  53 -13.386   4.182  -0.367
  400    HD2  HIS  53           HD2      HIS  53 -10.248   6.642   0.836
  401    HE1  HIS  53           HE1      HIS  53 -13.607   4.446   2.115
  402    HE2  HIS  53           HE2      HIS  53 -11.714   5.940   2.848
  403    HA   PRO  54           HA       PRO  54 -12.340   3.482  -2.425
  404   1HB   PRO  54           HBR      PRO  54 -13.666   1.731  -3.941
  405   2HB   PRO  54           HBS      PRO  54 -14.190   3.250  -3.605
  406   1HG   PRO  54           HGR      PRO  54 -13.290   2.275  -6.030
  407   2HG   PRO  54           HGS      PRO  54 -14.018   3.740  -5.703
  408   1HD   PRO  54           HDS      PRO  54 -11.335   3.251  -6.138
  409   2HD   PRO  54           HDR      PRO  54 -12.072   4.714  -5.912
  410    H    CYS  55           HN       CYS  55 -10.031   2.058  -4.292
  411    HA   CYS  55           HA       CYS  55 -10.665  -0.599  -4.095
  412   1HB   CYS  55           HBS      CYS  55  -7.880   0.570  -4.318
  413   2HB   CYS  55           HBR      CYS  55  -8.367  -1.097  -4.734
  414    H    TYR  56           HN       TYR  56  -8.528   1.239  -1.910
  415    HA   TYR  56           HA       TYR  56  -7.945  -0.846  -0.100
  416   1HB   TYR  56           HBR      TYR  56  -6.787   1.285  -0.021
  417   2HB   TYR  56           HBS      TYR  56  -8.301   2.133   0.407
  418    HD1  TYR  56           HD1      TYR  56  -6.168  -0.703   1.689
  419    HD2  TYR  56           HD2      TYR  56  -8.635   2.631   2.635
  420    HE1  TYR  56           HE1      TYR  56  -5.592  -0.958   4.064
  421    HE2  TYR  56           HE2      TYR  56  -8.063   2.391   5.009
  422    HH   TYR  56           HH       TYR  56  -7.536   0.470   6.458
  423    H    SER  57           HN       SER  57 -10.750   1.311  -0.378
  424    HA   SER  57           HA       SER  57 -11.932   0.336   2.052
  425   1HB   SER  57           HBS      SER  57 -12.375   2.572   1.493
  426   2HB   SER  57           HBR      SER  57 -12.919   2.150  -0.157
  427    HG   SER  57           HG       SER  57 -14.096   1.421   2.408
  428    H    ALA  58           HN       ALA  58 -11.899  -0.750  -1.195
  429    HA   ALA  58           HA       ALA  58 -14.416  -2.172  -1.045
  430   1HB   ALA  58           HMB      ALA  58 -12.597  -1.357  -3.045
  431   2HB   ALA  58           HMB      ALA  58 -12.677  -3.136  -3.119
  432   3HB   ALA  58           HMB      ALA  58 -14.171  -2.170  -3.242
  433    H    MET  59           HN       MET  59 -10.960  -3.065  -0.948
  434    HA   MET  59           HA       MET  59 -11.629  -5.810  -0.244
  435   1HB   MET  59           HBS      MET  59  -9.505  -4.552  -1.515
  436   2HB   MET  59           HBR      MET  59  -8.826  -5.041   0.059
  437   1HG   MET  59           HGR      MET  59 -10.492  -6.948  -1.621
  438   2HG   MET  59           HGS      MET  59  -8.750  -6.754  -1.928
  439   1HE   MET  59           HME      MET  59 -11.516  -7.933   0.009
  440   2HE   MET  59           HME      MET  59 -10.720  -9.524  -0.066
  441   3HE   MET  59           HME      MET  59 -10.933  -8.707   1.503
  442    H    PHE  60           HN       PHE  60 -10.100  -3.004   1.338
  443    HA   PHE  60           HA       PHE  60 -10.220  -4.496   3.911
  444   1HB   PHE  60           HBR      PHE  60  -8.094  -2.726   2.723
  445   2HB   PHE  60           HBS      PHE  60  -8.332  -2.722   4.495
  446    HD1  PHE  60           HD2      PHE  60  -7.901  -4.865   5.789
  447    HD2  PHE  60           HD1      PHE  60  -7.221  -4.530   1.596
  448    HE1  PHE  60           HE2      PHE  60  -6.640  -6.991   5.831
  449    HE2  PHE  60           HE1      PHE  60  -5.960  -6.635   1.611
  450    HZ   PHE  60           HZ       PHE  60  -5.719  -7.899   3.715
  451    H    GLY  61           HN       GLY  61 -12.089  -3.774   4.749
  452   1HA   GLY  61           HAS      GLY  61 -12.063  -0.962   5.717
  453   2HA   GLY  61           HAR      GLY  61 -13.503  -1.581   4.861
  454    HA   PRO  62           HA       PRO  62 -14.770  -2.614   9.045
  455   1HB   PRO  62           HBR      PRO  62 -17.192  -3.355   8.072
  456   2HB   PRO  62           HBS      PRO  62 -16.850  -1.945   8.839
  457   1HG   PRO  62           HGS      PRO  62 -17.259  -2.378   6.118
  458   2HG   PRO  62           HGR      PRO  62 -17.328  -0.939   6.961
  459   1HD   PRO  62           HDS      PRO  62 -15.341  -1.634   5.323
  460   2HD   PRO  62           HDR      PRO  62 -15.236  -0.460   6.483
  461    H    LYS  63           HN       LYS  63 -14.493  -4.414   6.226
  462    HA   LYS  63           HA       LYS  63 -13.381  -6.563   7.728
  463   1HB   LYS  63           HBR      LYS  63 -16.086  -6.856   7.631
  464   2HB   LYS  63           HBS      LYS  63 -15.599  -7.688   6.127
  465   1HG   LYS  63           HGR      LYS  63 -15.608  -9.407   7.713
  466   2HG   LYS  63           HGS      LYS  63 -13.887  -8.932   7.634
  467   1HD   LYS  63           HDS      LYS  63 -15.595  -7.575   9.651
  468   2HD   LYS  63           HDR      LYS  63 -15.256  -9.265   9.902
  469   1HE   LYS  63           HES      LYS  63 -12.987  -7.438   9.250
  470   2HE   LYS  63           HER      LYS  63 -13.691  -7.450  10.892
  471   1HZ   LYS  63           HZC      LYS  63 -13.280  -9.807  10.968
  472   2HZ   LYS  63           HZA      LYS  63 -12.634  -9.796   9.468
  473   3HZ   LYS  63           HZB      LYS  63 -11.887  -9.004  10.685
  474    H    GLY  64           HN       GLY  64 -12.780  -8.399   6.243
  475   1HA   GLY  64           HAS      GLY  64 -12.409  -7.685   3.411
  476   2HA   GLY  64           HAR      GLY  64 -10.971  -7.532   4.456
  477    H    PHE  65           HN       PHE  65  -9.789  -9.188   3.634
  478    HA   PHE  65           HA       PHE  65 -10.698 -11.891   3.270
  479   1HB   PHE  65           HBS      PHE  65  -8.219 -10.515   2.934
  480   2HB   PHE  65           HBR      PHE  65  -7.937 -11.850   4.088
  481    HD1  PHE  65           HD2      PHE  65  -9.580 -14.057   3.138
  482    HD2  PHE  65           HD1      PHE  65  -7.471 -11.086   0.929
  483    HE1  PHE  65           HE2      PHE  65  -9.517 -15.565   1.180
  484    HE2  PHE  65           HE1      PHE  65  -7.397 -12.562  -1.028
  485    HZ   PHE  65           HZ       PHE  65  -8.471 -14.780  -0.927
  486    H    GLY  66           HN       GLY  66  -8.335 -10.804   5.706
  487   1HA   GLY  66           HAR      GLY  66  -8.506 -10.829   8.031
  488   2HA   GLY  66           HAS      GLY  66 -10.069 -11.679   7.895
  489    H    ARG  67           HN       ARG  67 -10.083 -13.947   7.514
  490    HA   ARG  67           HA       ARG  67  -9.380 -16.117   7.647
  491   1HB   ARG  67           HBR      ARG  67  -7.827 -15.039   5.823
  492   2HB   ARG  67           HBS      ARG  67  -6.560 -15.266   7.063
  493   1HG   ARG  67           HGS      ARG  67  -6.329 -17.243   5.956
  494   2HG   ARG  67           HGR      ARG  67  -7.600 -17.725   7.116
  495   1HD   ARG  67           HDS      ARG  67  -9.016 -16.622   5.026
  496   2HD   ARG  67           HDR      ARG  67  -7.677 -17.487   4.217
  497    HE   ARG  67           HE       ARG  67  -9.790 -18.686   5.901
  498   1HH1  ARG  67           HH1      ARG  67  -6.748 -19.149   4.179
  499   2HH1  ARG  67           HH1      ARG  67  -7.038 -20.832   3.897
  500   1HH2  ARG  67           HH2      ARG  67 -10.193 -20.859   5.400
  501   2HH2  ARG  67           HH2      ARG  67  -8.987 -21.801   4.589
  502    H    GLY  68           HN       GLY  68  -9.580 -16.697   9.715
  503   1HA   GLY  68           HAR      GLY  68  -8.085 -17.737  11.420
  504   2HA   GLY  68           HAS      GLY  68  -7.303 -16.141  11.575
  505    H    GLY  69           HN       GLY  69 -10.264 -17.989  12.115
  506   1HA   GLY  69           HAS      GLY  69 -10.876 -17.672  14.571
  507   2HA   GLY  69           HAR      GLY  69 -11.165 -15.970  14.123
  508    H    ALA  70           HN       ALA  70 -12.595 -15.776  12.053
  509    HA   ALA  70           HA       ALA  70 -14.740 -15.873  11.254
  510   1HB   ALA  70           HMB      ALA  70 -14.100 -18.702  11.776
  511   2HB   ALA  70           HMB      ALA  70 -15.837 -18.302  11.810
  512   3HB   ALA  70           HMB      ALA  70 -14.863 -17.924  10.366
  513    H    GLU  71           HN       GLU  71 -15.212 -18.235  13.860
  514    HA   GLU  71           HA       GLU  71 -17.213 -16.685  15.261
  515   1HB   GLU  71           HBR      GLU  71 -16.874 -18.398  16.962
  516   2HB   GLU  71           HBS      GLU  71 -17.208 -18.974  15.421
  517   1HG   GLU  71           HGR      GLU  71 -14.305 -18.864  15.674
  518   2HG   GLU  71           HGS      GLU  71 -15.057 -19.754  17.026
  519    H    SER  72           HN       SER  72 -16.933 -15.843  17.414
  520    HA   SER  72           HA       SER  72 -14.573 -14.110  17.387
  521   1HB   SER  72           HBR      SER  72 -16.632 -12.958  17.528
  522   2HB   SER  72           HBS      SER  72 -17.212 -14.006  18.854
  523    HG   SER  72           HG       SER  72 -16.190 -12.995  20.317
  524    H    HIS  73           HN       HIS  73 -16.423 -15.653  20.039
  525    HA   HIS  73           HA       HIS  73 -13.837 -16.044  21.465
  526   1HB   HIS  73           HBR      HIS  73 -16.329 -14.641  22.333
  527   2HB   HIS  73           HBS      HIS  73 -15.552 -15.717  23.531
  528    HD1  HIS  73           HD1      HIS  73 -12.566 -14.960  22.294
  529    HD2  HIS  73           HD2      HIS  73 -15.492 -12.382  23.760
  530    HE1  HIS  73           HE1      HIS  73 -11.402 -12.809  22.844
  531    HE2  HIS  73           HE2      HIS  73 -13.171 -11.239  23.710
  532    H    THR  74           HN       THR  74 -14.656 -17.270  23.692
  533    HA   THR  74           HA       THR  74 -15.069 -19.359  24.536
  534    HB   THR  74           HB       THR  74 -16.789 -20.209  22.192
  535    HG1  THR  74           HG1      THR  74 -17.542 -18.563  22.257
  536   1HG2  THR  74           HMG      THR  74 -16.690 -20.711  25.133
  537   2HG2  THR  74           HMG      THR  74 -18.274 -20.784  24.317
  538   3HG2  THR  74           HMG      THR  74 -16.943 -21.842  23.779
  539    H    PHE  75           HN       PHE  75 -12.898 -19.810  24.183
  540    HA   PHE  75           HA       PHE  75 -12.504 -21.823  22.028
  541   1HB   PHE  75           HBR      PHE  75 -10.983 -19.875  21.645
  542   2HB   PHE  75           HBS      PHE  75 -10.277 -20.147  23.263
  543    HD1  PHE  75           HD2      PHE  75 -11.255 -22.789  20.756
  544    HD2  PHE  75           HD1      PHE  75  -8.131 -20.652  22.712
  545    HE1  PHE  75           HE2      PHE  75  -9.607 -24.416  19.888
  546    HE2  PHE  75           HE1      PHE  75  -6.478 -22.254  21.866
  547    HZ   PHE  75           HZ       PHE  75  -7.219 -24.171  20.504
  548    H    LYS  76           HN       LYS  76 -12.990 -23.617  23.102
  549    HA   LYS  76           HA       LYS  76 -11.465 -24.291  25.556
  550   1HB   LYS  76           HBR      LYS  76 -14.458 -24.010  25.303
  551   2HB   LYS  76           HBS      LYS  76 -13.731 -25.179  26.441
  552   1HG   LYS  76           HGR      LYS  76 -12.772 -22.334  26.501
  553   2HG   LYS  76           HGS      LYS  76 -14.374 -22.712  27.196
  554   1HD   LYS  76           HDS      LYS  76 -13.317 -23.197  29.065
  555   2HD   LYS  76           HDR      LYS  76 -12.883 -24.684  28.267
  556   1HE   LYS  76           HES      LYS  76 -10.875 -23.182  27.356
  557   2HE   LYS  76           HER      LYS  76 -11.225 -22.326  28.885
  558   1HZ   LYS  76           HZB      LYS  76 -11.077 -25.196  29.030
  559   2HZ   LYS  76           HZC      LYS  76  -9.666 -24.428  28.737
  560   3HZ   LYS  76           HZA      LYS  76 -10.531 -24.065  30.073
   
  No H/Q in entry =         560
  Start of MODEL   23
    1    H    PRO   1           HN       PRO   1  16.968   4.223   3.661
    2    HA   PRO   1           HA       PRO   1  14.815   3.762   4.445
    3   1HB   PRO   1           HBR      PRO   1  13.354   4.605   2.223
    4   2HB   PRO   1           HBS      PRO   1  13.135   5.023   3.797
    5   1HG   PRO   1           HGS      PRO   1  14.072   6.640   1.916
    6   2HG   PRO   1           HGR      PRO   1  14.212   6.908   3.557
    7   1HD   PRO   1           HDR      PRO   1  16.191   6.088   1.743
    8   2HD   PRO   1           HDS      PRO   1  16.387   6.741   3.250
    9    H    LYS   2           HN       LYS   2  12.966   2.358   3.471
   10    HA   LYS   2           HA       LYS   2  14.272   0.350   1.713
   11   1HB   LYS   2           HBR      LYS   2  13.028  -0.554   4.282
   12   2HB   LYS   2           HBS      LYS   2  14.297  -1.314   3.280
   13   1HG   LYS   2           HGR      LYS   2  15.379  -0.625   5.274
   14   2HG   LYS   2           HGS      LYS   2  15.832   0.582   4.036
   15   1HD   LYS   2           HDR      LYS   2  15.203   2.143   5.406
   16   2HD   LYS   2           HDS      LYS   2  13.554   1.665   5.111
   17   1HE   LYS   2           HES      LYS   2  13.674   0.128   7.049
   18   2HE   LYS   2           HER      LYS   2  15.355   0.671   7.321
   19   1HZ   LYS   2           HZB      LYS   2  13.574   2.844   7.120
   20   2HZ   LYS   2           HZC      LYS   2  13.099   1.824   8.301
   21   3HZ   LYS   2           HZA      LYS   2  14.605   2.460   8.327
   22    H    CYS   3           HN       CYS   3  12.893  -0.591   0.395
   23    HA   CYS   3           HA       CYS   3  10.184   0.224   0.477
   24   1HB   CYS   3           HBS      CYS   3  11.697   0.100  -1.495
   25   2HB   CYS   3           HBR      CYS   3  11.551  -1.679  -1.430
   26    HA   PRO   4           HA       PRO   4   8.410  -3.453   2.306
   27   1HB   PRO   4           HBR      PRO   4   5.919  -2.360   1.988
   28   2HB   PRO   4           HBS      PRO   4   6.750  -2.513   3.396
   29   1HG   PRO   4           HGS      PRO   4   6.169  -0.210   2.181
   30   2HG   PRO   4           HGR      PRO   4   7.260  -0.394   3.430
   31   1HD   PRO   4           HDS      PRO   4   7.775  -0.115   0.661
   32   2HD   PRO   4           HDR      PRO   4   8.754   0.281   1.935
   33    H    LYS   5           HN       LYS   5   8.005  -2.062  -0.705
   34    HA   LYS   5           HA       LYS   5   6.043  -3.987  -1.722
   35   1HB   LYS   5           HBR      LYS   5   6.785  -1.470  -2.509
   36   2HB   LYS   5           HBS      LYS   5   7.699  -2.495  -3.652
   37   1HG   LYS   5           HGS      LYS   5   4.722  -2.826  -3.160
   38   2HG   LYS   5           HGR      LYS   5   5.385  -1.735  -4.408
   39   1HD   LYS   5           HDR      LYS   5   5.120  -3.539  -5.689
   40   2HD   LYS   5           HDS      LYS   5   6.705  -3.935  -5.084
   41   1HE   LYS   5           HES      LYS   5   5.944  -5.705  -3.889
   42   2HE   LYS   5           HER      LYS   5   4.444  -4.853  -3.428
   43   1HZ   LYS   5           HZA      LYS   5   4.688  -5.544  -6.204
   44   2HZ   LYS   5           HZB      LYS   5   4.534  -6.813  -5.186
   45   3HZ   LYS   5           HZC      LYS   5   3.395  -5.641  -5.210
   46    H    CYS   6           HN       CYS   6   9.356  -3.126  -2.789
   47    HA   CYS   6           HA       CYS   6   9.446  -5.789  -4.056
   48   1HB   CYS   6           HBS      CYS   6  11.204  -4.912  -5.454
   49   2HB   CYS   6           HBR      CYS   6   9.732  -3.908  -5.513
   50    H    ASP   7           HN       ASP   7  10.675  -4.206  -1.325
   51    HA   ASP   7           HA       ASP   7  12.363  -4.520   0.113
   52   1HB   ASP   7           HBS      ASP   7  13.020  -6.633   0.747
   53   2HB   ASP   7           HBR      ASP   7  11.350  -6.829   0.147
   54    H    LYS   8           HN       LYS   8  13.045  -3.015  -1.831
   55    HA   LYS   8           HA       LYS   8  15.924  -3.751  -2.105
   56   1HB   LYS   8           HBS      LYS   8  14.301  -2.693  -4.101
   57   2HB   LYS   8           HBR      LYS   8  15.125  -1.263  -3.418
   58   1HG   LYS   8           HGS      LYS   8  16.917  -1.757  -4.652
   59   2HG   LYS   8           HGR      LYS   8  17.110  -3.268  -3.719
   60   1HD   LYS   8           HDR      LYS   8  15.069  -3.739  -5.578
   61   2HD   LYS   8           HDS      LYS   8  16.244  -2.809  -6.467
   62   1HE   LYS   8           HES      LYS   8  16.813  -5.337  -4.901
   63   2HE   LYS   8           HER      LYS   8  16.579  -5.224  -6.668
   64   1HZ   LYS   8           HZB      LYS   8  18.672  -3.766  -5.215
   65   2HZ   LYS   8           HZC      LYS   8  18.912  -5.222  -5.917
   66   3HZ   LYS   8           HZA      LYS   8  18.516  -3.928  -6.833
   67    H    GLU   9           HN       GLU   9  16.997  -1.274  -2.185
   68    HA   GLU   9           HA       GLU   9  15.990   0.114   0.266
   69   1HB   GLU   9           HBS      GLU   9  18.316   1.297  -0.313
   70   2HB   GLU   9           HBR      GLU   9  18.077   0.183   0.909
   71   1HG   GLU   9           HGR      GLU   9  20.092  -0.516  -0.342
   72   2HG   GLU   9           HGS      GLU   9  18.774  -1.639  -0.769
   73    H    VAL  10           HN       VAL  10  15.625   2.283   0.204
   74    HA   VAL  10           HA       VAL  10  14.839   3.100  -2.526
   75    HB   VAL  10           HB       VAL  10  13.669   3.600   0.212
   76   1HG1  VAL  10           HMG      VAL  10  13.477   5.657  -1.229
   77   2HG1  VAL  10           HMG      VAL  10  12.505   4.687  -2.361
   78   3HG1  VAL  10           HMG      VAL  10  11.936   4.944  -0.694
   79   1HG2  VAL  10           HMG      VAL  10  13.366   1.473  -1.432
   80   2HG2  VAL  10           HMG      VAL  10  12.155   2.031  -0.257
   81   3HG2  VAL  10           HMG      VAL  10  12.015   2.508  -1.963
   82    H    TYR  11           HN       TYR  11  15.816   4.670  -3.492
   83    HA   TYR  11           HA       TYR  11  17.836   6.263  -2.045
   84   1HB   TYR  11           HBR      TYR  11  17.134   6.502  -4.977
   85   2HB   TYR  11           HBS      TYR  11  18.660   6.906  -4.140
   86    HD1  TYR  11           HD1      TYR  11  19.571   4.618  -2.792
   87    HD2  TYR  11           HD2      TYR  11  17.411   4.759  -6.452
   88    HE1  TYR  11           HE1      TYR  11  20.513   2.438  -3.425
   89    HE2  TYR  11           HE2      TYR  11  18.324   2.573  -7.086
   90    HH   TYR  11           HH       TYR  11  20.068   1.212  -6.720
   91    H    PHE  12           HN       PHE  12  17.846   8.568  -2.230
   92    HA   PHE  12           HA       PHE  12  15.611   9.426  -0.953
   93   1HB   PHE  12           HBR      PHE  12  17.876  10.545  -0.855
   94   2HB   PHE  12           HBS      PHE  12  17.462  11.382  -2.378
   95    HD1  PHE  12           HD2      PHE  12  16.661  11.179   1.260
   96    HD2  PHE  12           HD1      PHE  12  15.848  13.052  -2.480
   97    HE1  PHE  12           HE2      PHE  12  15.466  12.997   2.438
   98    HE2  PHE  12           HE1      PHE  12  14.664  14.870  -1.335
   99    HZ   PHE  12           HZ       PHE  12  14.530  14.881   1.127
  100    H    ALA  13           HN       ALA  13  16.544  11.056  -3.997
  101    HA   ALA  13           HA       ALA  13  14.078  12.066  -4.457
  102   1HB   ALA  13           HMB      ALA  13  16.423  11.467  -6.244
  103   2HB   ALA  13           HMB      ALA  13  14.944  12.181  -6.939
  104   3HB   ALA  13           HMB      ALA  13  15.829  13.039  -5.650
  105    H    GLU  14           HN       GLU  14  14.795   8.834  -4.762
  106    HA   GLU  14           HA       GLU  14  12.641   8.323  -6.728
  107   1HB   GLU  14           HBS      GLU  14  14.582   6.597  -5.250
  108   2HB   GLU  14           HBR      GLU  14  13.464   5.954  -6.325
  109   1HG   GLU  14           HGR      GLU  14  15.982   7.582  -6.853
  110   2HG   GLU  14           HGS      GLU  14  15.366   6.117  -7.667
  111    H    ARG  15           HN       ARG  15  12.388   9.304  -3.801
  112    HA   ARG  15           HA       ARG  15  11.269   6.925  -2.490
  113   1HB   ARG  15           HBR      ARG  15  11.458   8.097  -0.444
  114   2HB   ARG  15           HBS      ARG  15  12.959   8.393  -1.363
  115   1HG   ARG  15           HGS      ARG  15  11.800  10.608  -2.080
  116   2HG   ARG  15           HGR      ARG  15  10.720  10.296  -0.692
  117   1HD   ARG  15           HDS      ARG  15  13.087   9.855   0.473
  118   2HD   ARG  15           HDR      ARG  15  13.586  11.026  -0.779
  119    HE   ARG  15           HE       ARG  15  11.672  12.450   0.181
  120   1HH1  ARG  15           HH1      ARG  15  13.834  10.378   2.040
  121   2HH1  ARG  15           HH1      ARG  15  13.507  11.193   3.533
  122   1HH2  ARG  15           HH2      ARG  15  11.170  13.405   2.173
  123   2HH2  ARG  15           HH2      ARG  15  12.000  12.906   3.609
  124    H    VAL  16           HN       VAL  16   9.271   6.792  -1.551
  125    HA   VAL  16           HA       VAL  16   7.719   9.211  -1.307
  126    HB   VAL  16           HB       VAL  16   5.634   8.428  -2.139
  127   1HG1  VAL  16           HMG      VAL  16   7.281   9.461  -3.748
  128   2HG1  VAL  16           HMG      VAL  16   7.607   7.816  -4.346
  129   3HG1  VAL  16           HMG      VAL  16   5.970   8.502  -4.477
  130   1HG2  VAL  16           HMG      VAL  16   7.015   5.803  -2.411
  131   2HG2  VAL  16           HMG      VAL  16   5.367   6.193  -1.861
  132   3HG2  VAL  16           HMG      VAL  16   5.755   6.218  -3.597
  133    H    THR  17           HN       THR  17   7.059   9.339   0.693
  134    HA   THR  17           HA       THR  17   7.523   6.964   2.414
  135    HB   THR  17           HB       THR  17   7.227   9.925   3.185
  136    HG1  THR  17           HG1      THR  17   9.141   9.908   3.458
  137   1HG2  THR  17           HMG      THR  17   6.748   7.754   4.824
  138   2HG2  THR  17           HMG      THR  17   8.456   8.147   5.149
  139   3HG2  THR  17           HMG      THR  17   7.201   9.395   5.350
  140    H    SER  18           HN       SER  18   5.956   6.056   3.583
  141    HA   SER  18           HA       SER  18   3.173   6.927   3.379
  142   1HB   SER  18           HBS      SER  18   3.539   4.387   1.964
  143   2HB   SER  18           HBR      SER  18   2.510   5.797   1.577
  144    HG   SER  18           HG       SER  18   4.113   6.865   0.594
  145    H    LEU  19           HN       LEU  19   2.076   6.120   4.988
  146    HA   LEU  19           HA       LEU  19   1.674   5.074   6.985
  147   1HB   LEU  19           HBR      LEU  19   2.780   2.739   5.394
  148   2HB   LEU  19           HBS      LEU  19   1.711   2.651   6.823
  149    HG   LEU  19           HG       LEU  19   0.357   2.188   4.966
  150   1HD1  LEU  19           HMD      LEU  19   0.076   5.098   5.763
  151   2HD1  LEU  19           HMD      LEU  19  -1.117   4.223   4.772
  152   3HD1  LEU  19           HMD      LEU  19  -0.777   3.685   6.436
  153   1HD2  LEU  19           HMD      LEU  19   2.217   3.381   3.479
  154   2HD2  LEU  19           HMD      LEU  19   0.550   3.134   2.895
  155   3HD2  LEU  19           HMD      LEU  19   1.044   4.720   3.537
  156    H    GLY  20           HN       GLY  20   4.492   6.129   6.363
  157   1HA   GLY  20           HAS      GLY  20   5.703   6.805   8.282
  158   2HA   GLY  20           HAR      GLY  20   5.463   5.189   8.999
  159    H    LYS  21           HN       LYS  21   6.141   4.130   6.156
  160    HA   LYS  21           HA       LYS  21   9.088   4.345   6.422
  161   1HB   LYS  21           HBS      LYS  21   7.928   1.746   5.504
  162   2HB   LYS  21           HBR      LYS  21   9.500   2.103   6.274
  163   1HG   LYS  21           HGR      LYS  21   8.317   0.880   7.899
  164   2HG   LYS  21           HGS      LYS  21   8.131   2.583   8.409
  165   1HD   LYS  21           HDS      LYS  21   5.946   2.456   8.322
  166   2HD   LYS  21           HDR      LYS  21   6.011   1.980   6.648
  167   1HE   LYS  21           HES      LYS  21   5.137   0.041   7.236
  168   2HE   LYS  21           HER      LYS  21   6.717  -0.330   7.984
  169   1HZ   LYS  21           HZA      LYS  21   5.155   1.272   9.676
  170   2HZ   LYS  21           HZB      LYS  21   4.316  -0.064   9.254
  171   3HZ   LYS  21           HZC      LYS  21   5.784  -0.210   9.952
  172    H    ASP  22           HN       ASP  22  10.190   4.163   4.458
  173    HA   ASP  22           HA       ASP  22   8.657   5.568   2.485
  174   1HB   ASP  22           HBS      ASP  22  11.552   4.828   2.213
  175   2HB   ASP  22           HBR      ASP  22  10.671   6.234   1.544
  176    H    TRP  23           HN       TRP  23   9.012   5.183   0.130
  177    HA   TRP  23           HA       TRP  23   9.318   2.318  -0.601
  178   1HB   TRP  23           HBR      TRP  23   7.080   4.191  -1.396
  179   2HB   TRP  23           HBS      TRP  23   7.250   2.461  -1.841
  180    HD1  TRP  23           HD1      TRP  23   6.574   4.737   1.211
  181    HE1  TRP  23           HE1      TRP  23   4.909   3.529   2.754
  182    HE3  TRP  23           HE3      TRP  23   6.266   0.339  -1.322
  183    HZ2  TRP  23           HZ2      TRP  23   3.535   1.083   2.772
  184    HZ3  TRP  23           HZ3      TRP  23   4.778  -1.410  -0.462
  185    HH2  TRP  23           HH2      TRP  23   3.344  -1.007   1.470
  186    H    HIS  24           HN       ZHI  24   9.209   2.120  -3.072
  187    HA   HIS  24           HA       ZHI  24  10.768   4.237  -4.343
  188   1HB   HIS  24           HBS      ZHI  24   9.768   1.584  -5.471
  189   2HB   HIS  24           HBR      ZHI  24  10.848   2.738  -6.309
  190    HD2  HIS  24           HD2      ZHI  24  13.025   3.355  -4.096
  191    HE1  HIS  24           HE1      ZHI  24  13.057  -0.650  -2.906
  192    HE2  HIS  24           HE2      ZHI  24  14.452   1.439  -3.097
  193    H    ARG  25           HN       ARG  25  10.218   5.368  -6.179
  194    HA   ARG  25           HA       ARG  25   7.593   6.465  -6.074
  195   1HB   ARG  25           HBR      ARG  25   9.895   7.432  -6.990
  196   2HB   ARG  25           HBS      ARG  25   9.273   6.780  -8.533
  197   1HG   ARG  25           HGS      ARG  25   7.367   8.427  -6.967
  198   2HG   ARG  25           HGR      ARG  25   8.789   9.288  -7.624
  199   1HD   ARG  25           HDS      ARG  25   7.963   7.665  -9.704
  200   2HD   ARG  25           HDR      ARG  25   6.439   8.232  -8.964
  201    HE   ARG  25           HE       ARG  25   7.736  10.548  -9.160
  202   1HH1  ARG  25           HH1      ARG  25   7.869   7.902 -11.488
  203   2HH1  ARG  25           HH1      ARG  25   7.914   8.963 -12.857
  204   1HH2  ARG  25           HH2      ARG  25   7.664  11.900 -10.978
  205   2HH2  ARG  25           HH2      ARG  25   7.801  11.226 -12.568
  206    HA   PRO  26           HA       PRO  26   6.980   3.938 -10.149
  207   1HB   PRO  26           HBR      PRO  26   8.797   1.852 -10.204
  208   2HB   PRO  26           HBS      PRO  26   8.582   3.023 -11.334
  209   1HG   PRO  26           HGS      PRO  26  10.705   2.786  -9.736
  210   2HG   PRO  26           HGR      PRO  26  10.335   4.129 -10.658
  211   1HD   PRO  26           HDS      PRO  26  10.055   3.779  -7.885
  212   2HD   PRO  26           HDR      PRO  26  10.092   5.191  -8.746
  213    H    CYS  27           HN       CYS  27   7.902   2.431  -7.240
  214    HA   CYS  27           HA       CYS  27   6.550  -0.033  -7.720
  215   1HB   CYS  27           HBS      CYS  27   7.903   1.282  -5.417
  216   2HB   CYS  27           HBR      CYS  27   6.743  -0.029  -5.058
  217    H    LEU  28           HN       LEU  28   5.685   2.893  -5.881
  218    HA   LEU  28           HA       LEU  28   3.600   1.673  -4.433
  219   1HB   LEU  28           HBS      LEU  28   5.023   3.785  -4.035
  220   2HB   LEU  28           HBR      LEU  28   3.796   4.625  -5.027
  221    HG   LEU  28           HG       LEU  28   2.124   3.579  -3.297
  222   1HD1  LEU  28           HMD      LEU  28   4.694   2.891  -2.188
  223   2HD1  LEU  28           HMD      LEU  28   3.856   4.037  -1.112
  224   3HD1  LEU  28           HMD      LEU  28   3.062   2.513  -1.580
  225   1HD2  LEU  28           HMD      LEU  28   3.386   6.025  -3.718
  226   2HD2  LEU  28           HMD      LEU  28   1.948   5.731  -2.708
  227   3HD2  LEU  28           HMD      LEU  28   3.569   5.737  -1.967
  228    H    LYS  29           HN       LYS  29   2.383   0.530  -5.990
  229    HA   LYS  29           HA       LYS  29   0.655   2.223  -7.741
  230   1HB   LYS  29           HBR      LYS  29   1.579  -0.612  -8.290
  231   2HB   LYS  29           HBS      LYS  29   0.690   0.490  -9.380
  232   1HG   LYS  29           HGR      LYS  29   2.859   2.006  -8.993
  233   2HG   LYS  29           HGS      LYS  29   3.601   0.412  -8.674
  234   1HD   LYS  29           HDS      LYS  29   2.236   1.349 -11.190
  235   2HD   LYS  29           HDR      LYS  29   3.923   0.987 -10.948
  236   1HE   LYS  29           HER      LYS  29   2.227  -1.256 -10.241
  237   2HE   LYS  29           HES      LYS  29   2.031  -0.744 -11.941
  238   1HZ   LYS  29           HZA      LYS  29   4.740  -0.795 -11.189
  239   2HZ   LYS  29           HZB      LYS  29   4.053  -2.248 -10.907
  240   3HZ   LYS  29           HZC      LYS  29   3.990  -1.594 -12.400
  241    H    CYS  30           HN       CYS  30  -1.470   1.826  -7.778
  242    HA   CYS  30           HA       CYS  30  -2.794   0.191  -5.866
  243   1HB   CYS  30           HBS      CYS  30  -3.685   2.181  -7.232
  244   2HB   CYS  30           HBR      CYS  30  -4.016   0.961  -8.497
  245    H    GLU  31           HN       GLU  31  -2.975  -1.899  -5.750
  246    HA   GLU  31           HA       GLU  31  -2.824  -3.594  -8.157
  247   1HB   GLU  31           HBS      GLU  31  -3.163  -4.045  -5.226
  248   2HB   GLU  31           HBR      GLU  31  -3.226  -5.335  -6.297
  249   1HG   GLU  31           HGS      GLU  31  -0.894  -3.445  -6.418
  250   2HG   GLU  31           HGR      GLU  31  -0.913  -4.566  -5.030
  251    H    LYS  32           HN       LYS  32  -5.032  -1.650  -7.759
  252    HA   LYS  32           HA       LYS  32  -7.241  -3.624  -8.128
  253   1HB   LYS  32           HBR      LYS  32  -7.062  -1.925  -6.038
  254   2HB   LYS  32           HBS      LYS  32  -7.856  -0.857  -7.231
  255   1HG   LYS  32           HGS      LYS  32  -8.850  -3.545  -6.209
  256   2HG   LYS  32           HGR      LYS  32  -9.558  -1.934  -5.898
  257   1HD   LYS  32           HDS      LYS  32  -9.259  -2.980  -8.702
  258   2HD   LYS  32           HDR      LYS  32 -10.524  -3.605  -7.681
  259   1HE   LYS  32           HES      LYS  32 -11.721  -1.925  -8.547
  260   2HE   LYS  32           HER      LYS  32 -10.911  -0.992  -7.257
  261   1HZ   LYS  32           HZB      LYS  32  -9.514  -1.236  -9.768
  262   2HZ   LYS  32           HZC      LYS  32 -10.843  -0.286  -9.769
  263   3HZ   LYS  32           HZA      LYS  32  -9.613   0.033  -8.744
  264    H    CYS  33           HN       CYS  33  -6.333  -0.204  -8.734
  265    HA   CYS  33           HA       CYS  33  -7.637  -0.479 -11.377
  266   1HB   CYS  33           HBS      CYS  33  -7.900   1.890 -11.400
  267   2HB   CYS  33           HBR      CYS  33  -8.554   1.188  -9.896
  268    H    GLY  34           HN       GLY  34  -4.564  -0.350  -9.960
  269   1HA   GLY  34           HAR      GLY  34  -2.461  -0.402 -10.884
  270   2HA   GLY  34           HAS      GLY  34  -3.275  -0.608 -12.459
  271    H    LYS  35           HN       LYS  35  -3.643   2.141 -10.243
  272    HA   LYS  35           HA       LYS  35  -2.152   3.862 -12.171
  273   1HB   LYS  35           HBR      LYS  35  -4.020   4.877 -10.030
  274   2HB   LYS  35           HBS      LYS  35  -3.415   5.703 -11.493
  275   1HG   LYS  35           HGS      LYS  35  -5.119   3.249 -11.816
  276   2HG   LYS  35           HGR      LYS  35  -5.901   4.788 -11.355
  277   1HD   LYS  35           HDS      LYS  35  -5.844   5.452 -13.465
  278   2HD   LYS  35           HDR      LYS  35  -4.106   5.348 -13.454
  279   1HE   LYS  35           HER      LYS  35  -4.025   3.353 -14.489
  280   2HE   LYS  35           HES      LYS  35  -5.586   2.802 -13.820
  281   1HZ   LYS  35           HZA      LYS  35  -5.875   5.035 -15.528
  282   2HZ   LYS  35           HZB      LYS  35  -5.164   3.787 -16.305
  283   3HZ   LYS  35           HZC      LYS  35  -6.615   3.581 -15.587
  284    H    THR  36           HN       THR  36  -0.476   5.042 -11.475
  285    HA   THR  36           HA       THR  36   0.903   4.259  -9.060
  286    HB   THR  36           HB       THR  36   1.540   6.792 -10.633
  287    HG1  THR  36           HG1      THR  36   1.414   5.767 -12.106
  288   1HG2  THR  36           HMG      THR  36   2.848   5.873  -8.554
  289   2HG2  THR  36           HMG      THR  36   3.546   4.749  -9.748
  290   3HG2  THR  36           HMG      THR  36   3.726   6.508  -9.970
  291    H    LEU  37           HN       LEU  37   1.279   5.473  -7.227
  292    HA   LEU  37           HA       LEU  37  -1.073   7.151  -6.565
  293   1HB   LEU  37           HBS      LEU  37   0.727   5.486  -4.781
  294   2HB   LEU  37           HBR      LEU  37  -0.834   6.241  -4.351
  295    HG   LEU  37           HG       LEU  37  -0.688   4.163  -6.517
  296   1HD1  LEU  37           HMD      LEU  37  -0.679   3.752  -3.522
  297   2HD1  LEU  37           HMD      LEU  37  -1.369   2.553  -4.645
  298   3HD1  LEU  37           HMD      LEU  37   0.355   2.989  -4.756
  299   1HD2  LEU  37           HMD      LEU  37  -2.716   5.396  -4.668
  300   2HD2  LEU  37           HMD      LEU  37  -2.768   5.193  -6.438
  301   3HD2  LEU  37           HMD      LEU  37  -3.005   3.785  -5.372
  302    H    THR  38           HN       THR  38  -0.677   8.574  -4.586
  303    HA   THR  38           HA       THR  38   1.482  10.378  -5.498
  304    HB   THR  38           HB       THR  38  -0.941  11.241  -3.857
  305    HG1  THR  38           HG1      THR  38  -1.616  10.045  -5.227
  306   1HG2  THR  38           HMG      THR  38   1.097  12.572  -5.527
  307   2HG2  THR  38           HMG      THR  38  -0.576  13.133  -5.773
  308   3HG2  THR  38           HMG      THR  38   0.152  13.187  -4.146
  309    H    SER  39           HN       SER  39   2.011  12.092  -3.734
  310    HA   SER  39           HA       SER  39   3.240  10.771  -1.473
  311   1HB   SER  39           HBR      SER  39   4.062  12.885  -2.637
  312   2HB   SER  39           HBS      SER  39   2.767  13.737  -1.746
  313    HG   SER  39           HG       SER  39   3.546  12.824   0.229
  314    H    GLY  40           HN       GLY  40   1.225   9.675  -0.848
  315   1HA   GLY  40           HAR      GLY  40  -0.052   9.390   1.057
  316   2HA   GLY  40           HAS      GLY  40   0.121  11.132   1.411
  317    H    GLY  41           HN       GLY  41  -1.204   9.328  -1.386
  318   1HA   GLY  41           HAR      GLY  41  -3.941  10.099  -0.485
  319   2HA   GLY  41           HAS      GLY  41  -3.506  10.180  -2.213
  320    H    HIS  42           HN       HIS  42  -1.745   7.673  -0.935
  321    HA   HIS  42           HA       HIS  42  -3.797   5.707  -1.616
  322   1HB   HIS  42           HBS      HIS  42  -1.944   4.169  -1.965
  323   2HB   HIS  42           HBR      HIS  42  -1.616   5.717  -2.798
  324    HD1  HIS  42           HD1      HIS  42   0.150   3.299  -0.840
  325    HD2  HIS  42           HD2      HIS  42   0.051   7.459  -1.009
  326    HE1  HIS  42           HE1      HIS  42   2.356   4.095   0.047
  327    HE2  HIS  42           HE2      HIS  42   2.312   6.610  -0.081
  328    H    ALA  43           HN       ALA  43  -2.868   3.430  -0.501
  329    HA   ALA  43           HA       ALA  43  -1.796   3.670   2.088
  330   1HB   ALA  43           HMB      ALA  43  -4.765   3.169   1.968
  331   2HB   ALA  43           HMB      ALA  43  -3.761   2.507   3.283
  332   3HB   ALA  43           HMB      ALA  43  -3.842   4.268   3.023
  333    H    GLU  44           HN       GLU  44  -1.456   1.559   3.084
  334    HA   GLU  44           HA       GLU  44  -0.981  -0.347   0.839
  335   1HB   GLU  44           HBS      GLU  44   1.022  -0.820   1.885
  336   2HB   GLU  44           HBR      GLU  44   0.944   0.844   1.695
  337   1HG   GLU  44           HGS      GLU  44   1.416   1.072   3.901
  338   2HG   GLU  44           HGR      GLU  44  -0.108   0.258   4.347
  339    H    HIS  45           HN       HIS  45  -1.627  -2.370   0.990
  340    HA   HIS  45           HA       HIS  45  -2.480  -3.479   3.612
  341   1HB   HIS  45           HBS      HIS  45  -4.116  -3.920   1.792
  342   2HB   HIS  45           HBR      HIS  45  -2.823  -4.694   0.833
  343    HD1  HIS  45           HD1      HIS  45  -4.617  -5.208   4.206
  344    HD2  HIS  45           HD2      HIS  45  -2.377  -7.301   1.386
  345    HE1  HIS  45           HE1      HIS  45  -4.613  -7.603   4.943
  346    HE2  HIS  45           HE2      HIS  45  -3.281  -8.879   3.228
  347    H    GLU  46           HN       GLU  46  -1.614  -5.667   4.031
  348    HA   GLU  46           HA       GLU  46   1.057  -5.277   4.478
  349   1HB   GLU  46           HBR      GLU  46  -0.712  -6.818   5.535
  350   2HB   GLU  46           HBS      GLU  46  -0.350  -7.907   4.310
  351   1HG   GLU  46           HGS      GLU  46   1.444  -8.738   5.246
  352   2HG   GLU  46           HGR      GLU  46   2.177  -7.139   5.554
  353    H    GLY  47           HN       GLY  47   2.393  -4.893   2.794
  354   1HA   GLY  47           HAR      GLY  47   3.628  -5.190   0.868
  355   2HA   GLY  47           HAS      GLY  47   3.297  -6.936   1.016
  356    H    LYS  48           HN       LYS  48   1.144  -4.108   0.544
  357    HA   LYS  48           HA       LYS  48   1.084  -4.246  -2.282
  358   1HB   LYS  48           HBS      LYS  48  -0.874  -5.977  -0.886
  359   2HB   LYS  48           HBR      LYS  48  -1.568  -4.842  -2.079
  360   1HG   LYS  48           HGR      LYS  48  -0.673  -5.946  -3.853
  361   2HG   LYS  48           HGS      LYS  48   0.822  -6.377  -2.972
  362   1HD   LYS  48           HDS      LYS  48  -1.860  -7.748  -2.857
  363   2HD   LYS  48           HDR      LYS  48  -0.364  -8.353  -3.517
  364   1HE   LYS  48           HES      LYS  48  -0.045  -7.567  -0.739
  365   2HE   LYS  48           HER      LYS  48  -1.326  -8.791  -0.978
  366   1HZ   LYS  48           HZC      LYS  48   0.352 -10.018  -2.306
  367   2HZ   LYS  48           HZA      LYS  48   1.491  -8.978  -1.771
  368   3HZ   LYS  48           HZB      LYS  48   0.686  -9.923  -0.710
  369    HA   PRO  49           HA       PRO  49  -0.564  -0.315  -0.929
  370   1HB   PRO  49           HBR      PRO  49   0.431   0.949  -3.064
  371   2HB   PRO  49           HBS      PRO  49   1.161   0.881  -1.595
  372   1HG   PRO  49           HGS      PRO  49   1.854  -0.466  -3.935
  373   2HG   PRO  49           HGR      PRO  49   2.799  -0.163  -2.594
  374   1HD   PRO  49           HDS      PRO  49   1.673  -2.533  -3.220
  375   2HD   PRO  49           HDR      PRO  49   2.371  -2.149  -1.771
  376    H    TYR  50           HN       TYR  50  -2.285   0.914  -1.496
  377    HA   TYR  50           HA       TYR  50  -3.355   0.556  -4.200
  378   1HB   TYR  50           HBR      TYR  50  -5.064   0.004  -1.746
  379   2HB   TYR  50           HBS      TYR  50  -5.643   0.125  -3.432
  380    HD1  TYR  50           HD1      TYR  50  -3.293  -1.870  -1.279
  381    HD2  TYR  50           HD2      TYR  50  -5.891  -1.823  -4.645
  382    HE1  TYR  50           HE1      TYR  50  -3.156  -4.321  -1.412
  383    HE2  TYR  50           HE2      TYR  50  -5.723  -4.264  -4.822
  384    HH   TYR  50           HH       TYR  50  -3.356  -6.042  -2.838
  385    H    CYS  51           HN       CYS  51  -5.151   2.122  -4.578
  386    HA   CYS  51           HA       CYS  51  -5.059   4.665  -3.586
  387   1HB   CYS  51           HBS      CYS  51  -7.569   3.121  -4.277
  388   2HB   CYS  51           HBR      CYS  51  -7.472   4.890  -4.055
  389    H    ASN  52           HN       ASN  52  -5.580   5.786  -1.853
  390    HA   ASN  52           HA       ASN  52  -6.404   4.631   0.592
  391   1HB   ASN  52           HBR      ASN  52  -5.238   6.843   0.242
  392   2HB   ASN  52           HBS      ASN  52  -6.846   7.514  -0.151
  393   1HD2  ASN  52           HD2      ASN  52  -5.733   6.715   3.705
  394   2HD2  ASN  52           HD2      ASN  52  -4.708   6.363   2.353
  395    H    HIS  53           HN       HIS  53  -8.218   5.993  -2.101
  396    HA   HIS  53           HA       HIS  53 -10.321   4.098  -1.539
  397   1HB   HIS  53           HBS      HIS  53 -10.910   7.062  -1.207
  398   2HB   HIS  53           HBR      HIS  53 -12.151   5.909  -1.772
  399    HD1  HIS  53           HD1      HIS  53 -13.281   4.444   0.024
  400    HD2  HIS  53           HD2      HIS  53 -10.087   6.702   1.457
  401    HE1  HIS  53           HE1      HIS  53 -13.442   4.391   2.525
  402    HE2  HIS  53           HE2      HIS  53 -11.520   5.768   3.397
  403    HA   PRO  54           HA       PRO  54 -12.358   4.072  -2.140
  404   1HB   PRO  54           HBS      PRO  54 -13.737   2.553  -3.852
  405   2HB   PRO  54           HBR      PRO  54 -14.231   4.022  -3.308
  406   1HG   PRO  54           HGR      PRO  54 -13.378   3.339  -5.850
  407   2HG   PRO  54           HGS      PRO  54 -14.049   4.778  -5.338
  408   1HD   PRO  54           HDS      PRO  54 -11.389   4.251  -5.867
  409   2HD   PRO  54           HDR      PRO  54 -12.070   5.701  -5.450
  410    H    CYS  55           HN       CYS  55 -10.042   2.844  -4.085
  411    HA   CYS  55           HA       CYS  55 -10.712   0.191  -4.272
  412   1HB   CYS  55           HBS      CYS  55  -7.916   1.355  -4.220
  413   2HB   CYS  55           HBR      CYS  55  -8.381  -0.250  -4.853
  414    H    TYR  56           HN       TYR  56  -8.823   1.759  -1.711
  415    HA   TYR  56           HA       TYR  56  -7.894  -0.677  -0.462
  416   1HB   TYR  56           HBR      TYR  56  -6.719   1.418  -0.099
  417   2HB   TYR  56           HBS      TYR  56  -8.186   2.155   0.606
  418    HD1  TYR  56           HD2      TYR  56  -9.091   1.146   2.764
  419    HD2  TYR  56           HD1      TYR  56  -5.202   0.239   1.299
  420    HE1  TYR  56           HE2      TYR  56  -8.421   0.425   5.012
  421    HE2  TYR  56           HE1      TYR  56  -4.514  -0.473   3.548
  422    HH   TYR  56           HH       TYR  56  -6.106  -1.636   5.545
  423    H    SER  57           HN       SER  57 -10.367   1.737   0.505
  424    HA   SER  57           HA       SER  57 -11.192   0.183   2.758
  425   1HB   SER  57           HBS      SER  57 -12.499   2.536   1.373
  426   2HB   SER  57           HBR      SER  57 -13.057   1.814   2.909
  427    HG   SER  57           HG       SER  57 -10.661   3.245   2.180
  428    H    ALA  58           HN       ALA  58 -11.926   0.028  -0.578
  429    HA   ALA  58           HA       ALA  58 -14.397  -1.475  -0.269
  430   1HB   ALA  58           HMB      ALA  58 -13.872  -0.183  -2.297
  431   2HB   ALA  58           HMB      ALA  58 -12.498  -1.271  -2.623
  432   3HB   ALA  58           HMB      ALA  58 -14.162  -1.907  -2.639
  433    H    MET  59           HN       MET  59 -11.019  -2.281  -1.154
  434    HA   MET  59           HA       MET  59 -11.594  -5.059  -1.415
  435   1HB   MET  59           HBR      MET  59  -9.563  -3.342  -2.184
  436   2HB   MET  59           HBS      MET  59  -8.771  -4.408  -0.997
  437   1HG   MET  59           HGS      MET  59 -10.540  -5.533  -3.207
  438   2HG   MET  59           HGR      MET  59  -8.829  -5.141  -3.500
  439   1HE   MET  59           HME      MET  59 -10.643  -7.641  -3.585
  440   2HE   MET  59           HME      MET  59  -9.098  -8.518  -3.730
  441   3HE   MET  59           HME      MET  59 -10.262  -8.966  -2.457
  442    H    PHE  60           HN       PHE  60  -9.896  -3.172   1.095
  443    HA   PHE  60           HA       PHE  60 -10.019  -5.573   2.849
  444   1HB   PHE  60           HBR      PHE  60  -7.824  -3.456   2.921
  445   2HB   PHE  60           HBS      PHE  60  -8.004  -4.853   4.022
  446    HD1  PHE  60           HD2      PHE  60  -8.317  -7.204   2.481
  447    HD2  PHE  60           HD1      PHE  60  -6.284  -3.632   1.359
  448    HE1  PHE  60           HE2      PHE  60  -6.919  -8.502   0.906
  449    HE2  PHE  60           HE1      PHE  60  -4.884  -4.896  -0.210
  450    HZ   PHE  60           HZ       PHE  60  -5.157  -7.340  -0.393
  451    H    GLY  61           HN       GLY  61 -11.852  -5.065   3.892
  452   1HA   GLY  61           HAR      GLY  61 -11.677  -3.627   6.251
  453   2HA   GLY  61           HAS      GLY  61 -12.426  -2.496   5.091
  454    HA   PRO  62           HA       PRO  62 -16.309  -4.087   5.269
  455   1HB   PRO  62           HBR      PRO  62 -16.707  -5.111   2.701
  456   2HB   PRO  62           HBS      PRO  62 -17.318  -3.732   3.349
  457   1HG   PRO  62           HGS      PRO  62 -15.448  -3.821   1.476
  458   2HG   PRO  62           HGR      PRO  62 -15.782  -2.485   2.420
  459   1HD   PRO  62           HDS      PRO  62 -13.596  -4.242   2.586
  460   2HD   PRO  62           HDR      PRO  62 -13.740  -2.717   3.211
  461    H    LYS  63           HN       LYS  63 -14.080  -6.409   4.584
  462    HA   LYS  63           HA       LYS  63 -15.566  -8.742   4.606
  463   1HB   LYS  63           HBS      LYS  63 -13.590  -9.851   5.582
  464   2HB   LYS  63           HBR      LYS  63 -13.192  -8.780   4.209
  465   1HG   LYS  63           HGR      LYS  63 -12.068  -7.258   5.543
  466   2HG   LYS  63           HGS      LYS  63 -12.983  -7.707   7.011
  467   1HD   LYS  63           HDS      LYS  63 -10.729  -9.216   5.701
  468   2HD   LYS  63           HDR      LYS  63 -10.731  -8.406   7.244
  469   1HE   LYS  63           HES      LYS  63 -12.034 -10.985   6.488
  470   2HE   LYS  63           HER      LYS  63 -10.957 -10.592   7.856
  471   1HZ   LYS  63           HZA      LYS  63 -13.057  -9.020   8.294
  472   2HZ   LYS  63           HZB      LYS  63 -13.793 -10.324   7.642
  473   3HZ   LYS  63           HZC      LYS  63 -12.855 -10.493   8.968
  474    H    GLY  64           HN       GLY  64 -15.145  -6.464   7.143
  475   1HA   GLY  64           HAS      GLY  64 -16.240  -6.273   9.157
  476   2HA   GLY  64           HAR      GLY  64 -17.238  -7.657   8.640
  477    H    PHE  65           HN       PHE  65 -15.926  -6.870  11.247
  478    HA   PHE  65           HA       PHE  65 -15.430  -9.588  12.006
  479   1HB   PHE  65           HBS      PHE  65 -13.064  -8.476  11.283
  480   2HB   PHE  65           HBR      PHE  65 -13.156  -7.916  12.978
  481    HD1  PHE  65           HD1      PHE  65 -13.887  -9.684  14.674
  482    HD2  PHE  65           HD2      PHE  65 -12.177 -10.681  10.901
  483    HE1  PHE  65           HE1      PHE  65 -13.169 -11.842  15.593
  484    HE2  PHE  65           HE2      PHE  65 -11.444 -12.865  11.802
  485    HZ   PHE  65           HZ       PHE  65 -11.893 -13.410  14.178
  486    H    GLY  66           HN       GLY  66 -14.869  -6.202  13.028
  487   1HA   GLY  66           HAR      GLY  66 -17.122  -6.044  14.650
  488   2HA   GLY  66           HAS      GLY  66 -15.796  -6.530  15.740
  489    H    ARG  67           HN       ARG  67 -16.801  -4.232  16.386
  490    HA   ARG  67           HA       ARG  67 -15.317  -2.083  14.962
  491   1HB   ARG  67           HBR      ARG  67 -18.062  -2.346  15.963
  492   2HB   ARG  67           HBS      ARG  67 -17.249  -0.850  16.500
  493   1HG   ARG  67           HGS      ARG  67 -16.601  -0.828  13.871
  494   2HG   ARG  67           HGR      ARG  67 -18.173  -1.675  13.802
  495   1HD   ARG  67           HDS      ARG  67 -17.840   0.837  15.400
  496   2HD   ARG  67           HDR      ARG  67 -18.094   0.899  13.634
  497    HE   ARG  67           HE       ARG  67 -20.086  -0.767  14.567
  498   1HH1  ARG  67           HH1      ARG  67 -19.026   2.436  15.589
  499   2HH1  ARG  67           HH1      ARG  67 -20.638   2.994  15.888
  500   1HH2  ARG  67           HH2      ARG  67 -22.186   0.039  14.846
  501   2HH2  ARG  67           HH2      ARG  67 -22.427   1.636  15.470
  502    H    GLY  68           HN       GLY  68 -14.768  -0.191  16.292
  503   1HA   GLY  68           HAR      GLY  68 -13.104  -1.166  18.461
  504   2HA   GLY  68           HAS      GLY  68 -13.097   0.471  17.752
  505    H    GLY  69           HN       GLY  69 -12.803   0.435  20.358
  506   1HA   GLY  69           HAR      GLY  69 -14.596   1.918  21.747
  507   2HA   GLY  69           HAS      GLY  69 -15.360   0.306  21.785
  508    H    ALA  70           HN       ALA  70 -12.569  -0.905  21.600
  509    HA   ALA  70           HA       ALA  70 -11.900  -0.984  24.441
  510   1HB   ALA  70           HMB      ALA  70 -11.237  -2.449  22.020
  511   2HB   ALA  70           HMB      ALA  70  -9.790  -2.068  22.989
  512   3HB   ALA  70           HMB      ALA  70 -11.152  -2.947  23.730
  513    H    GLU  71           HN       GLU  71  -9.188  -0.958  24.452
  514    HA   GLU  71           HA       GLU  71  -8.712   1.963  24.105
  515   1HB   GLU  71           HBS      GLU  71  -9.053   0.745  26.289
  516   2HB   GLU  71           HBR      GLU  71  -7.565  -0.006  26.092
  517   1HG   GLU  71           HGS      GLU  71  -6.369   2.003  26.412
  518   2HG   GLU  71           HGR      GLU  71  -7.721   3.045  25.887
  519    H    SER  72           HN       SER  72  -7.887   1.554  21.953
  520    HA   SER  72           HA       SER  72  -5.073   1.100  21.733
  521   1HB   SER  72           HBR      SER  72  -6.735  -1.268  21.770
  522   2HB   SER  72           HBS      SER  72  -5.938  -1.063  20.183
  523    HG   SER  72           HG       SER  72  -4.910  -2.269  22.105
  524    H    HIS  73           HN       HIS  73  -5.155   2.937  20.525
  525    HA   HIS  73           HA       HIS  73  -6.821   3.289  18.263
  526   1HB   HIS  73           HBS      HIS  73  -4.102   4.580  18.760
  527   2HB   HIS  73           HBR      HIS  73  -5.348   5.120  17.596
  528    HD1  HIS  73           HD1      HIS  73  -7.867   4.962  19.449
  529    HD2  HIS  73           HD2      HIS  73  -4.199   6.571  20.588
  530    HE1  HIS  73           HE1      HIS  73  -8.322   6.420  21.436
  531    HE2  HIS  73           HE2      HIS  73  -6.103   7.380  22.144
  532    H    THR  74           HN       THR  74  -3.646   1.814  18.684
  533    HA   THR  74           HA       THR  74  -2.835   1.947  15.981
  534    HB   THR  74           HB       THR  74  -1.229   0.018  16.712
  535    HG1  THR  74           HG1      THR  74  -1.125  -0.337  18.656
  536   1HG2  THR  74           HMG      THR  74  -1.215   2.806  17.414
  537   2HG2  THR  74           HMG      THR  74  -0.450   1.851  18.709
  538   3HG2  THR  74           HMG      THR  74   0.150   1.726  17.035
  539    H    PHE  75           HN       PHE  75  -3.192  -1.200  17.559
  540    HA   PHE  75           HA       PHE  75  -5.020  -2.210  15.498
  541   1HB   PHE  75           HBR      PHE  75  -2.174  -3.290  15.631
  542   2HB   PHE  75           HBS      PHE  75  -3.496  -3.814  14.547
  543    HD1  PHE  75           HD1      PHE  75  -4.300  -2.395  12.810
  544    HD2  PHE  75           HD2      PHE  75  -0.816  -1.330  15.019
  545    HE1  PHE  75           HE1      PHE  75  -3.740  -0.739  11.088
  546    HE2  PHE  75           HE2      PHE  75  -0.228   0.344  13.295
  547    HZ   PHE  75           HZ       PHE  75  -1.737   0.675  11.358
  548    H    LYS  76           HN       LYS  76  -2.424  -3.538  17.582
  549    HA   LYS  76           HA       LYS  76  -4.465  -5.343  18.799
  550   1HB   LYS  76           HBR      LYS  76  -2.666  -6.854  19.375
  551   2HB   LYS  76           HBS      LYS  76  -2.707  -6.578  17.610
  552   1HG   LYS  76           HGR      LYS  76  -0.446  -6.425  17.961
  553   2HG   LYS  76           HGS      LYS  76  -0.899  -4.717  18.229
  554   1HD   LYS  76           HDS      LYS  76  -0.349  -4.751  20.374
  555   2HD   LYS  76           HDR      LYS  76  -1.125  -6.287  20.643
  556   1HE   LYS  76           HES      LYS  76   0.764  -7.462  20.468
  557   2HE   LYS  76           HER      LYS  76   1.340  -6.487  19.086
  558   1HZ   LYS  76           HZC      LYS  76   1.432  -5.663  21.908
  559   2HZ   LYS  76           HZA      LYS  76   2.706  -6.189  21.030
  560   3HZ   LYS  76           HZB      LYS  76   1.969  -4.784  20.639
   
  No H/Q in entry =         560
  Start of MODEL   24
    1    H    PRO   1           HN       PRO   1  15.426   2.318   5.657
    2    HA   PRO   1           HA       PRO   1  13.770   3.743   4.544
    3   1HB   PRO   1           HBR      PRO   1  15.616   4.738   2.697
    4   2HB   PRO   1           HBS      PRO   1  14.487   5.570   3.550
    5   1HG   PRO   1           HGS      PRO   1  17.098   5.690   3.977
    6   2HG   PRO   1           HGR      PRO   1  15.935   6.191   5.065
    7   1HD   PRO   1           HDR      PRO   1  17.538   3.891   5.158
    8   2HD   PRO   1           HDS      PRO   1  16.686   4.597   6.387
    9    H    LYS   2           HN       LYS   2  13.342   1.476   4.375
   10    HA   LYS   2           HA       LYS   2  14.247   0.420   1.733
   11   1HB   LYS   2           HBR      LYS   2  13.949  -1.848   2.925
   12   2HB   LYS   2           HBS      LYS   2  15.425  -0.891   3.235
   13   1HG   LYS   2           HGS      LYS   2  13.931   0.022   5.264
   14   2HG   LYS   2           HGR      LYS   2  13.151  -1.573   5.060
   15   1HD   LYS   2           HDS      LYS   2  15.104  -2.714   5.601
   16   2HD   LYS   2           HDR      LYS   2  16.127  -1.373   5.164
   17   1HE   LYS   2           HER      LYS   2  14.276  -0.919   7.419
   18   2HE   LYS   2           HES      LYS   2  15.640  -2.040   7.694
   19   1HZ   LYS   2           HZA      LYS   2  16.255   0.457   6.392
   20   2HZ   LYS   2           HZB      LYS   2  15.842   0.555   7.970
   21   3HZ   LYS   2           HZC      LYS   2  17.102  -0.376   7.513
   22    H    CYS   3           HN       CYS   3  12.805  -0.756   0.552
   23    HA   CYS   3           HA       CYS   3  10.234   0.278   0.708
   24   1HB   CYS   3           HBS      CYS   3  11.625  -0.425  -1.296
   25   2HB   CYS   3           HBR      CYS   3  11.026  -2.080  -0.990
   26    HA   PRO   4           HA       PRO   4   8.080  -2.836   3.104
   27   1HB   PRO   4           HBR      PRO   4   5.790  -1.337   2.757
   28   2HB   PRO   4           HBS      PRO   4   6.626  -1.566   4.152
   29   1HG   PRO   4           HGS      PRO   4   6.448   0.737   2.851
   30   2HG   PRO   4           HGR      PRO   4   7.590   0.392   4.018
   31   1HD   PRO   4           HDS      PRO   4   7.892   0.420   1.200
   32   2HD   PRO   4           HDR      PRO   4   9.036   0.709   2.360
   33    H    LYS   5           HN       LYS   5   7.842  -1.829  -0.034
   34    HA   LYS   5           HA       LYS   5   5.628  -3.649  -0.735
   35   1HB   LYS   5           HBR      LYS   5   6.458  -1.251  -1.797
   36   2HB   LYS   5           HBS      LYS   5   7.189  -2.440  -2.915
   37   1HG   LYS   5           HGR      LYS   5   4.405  -3.084  -2.278
   38   2HG   LYS   5           HGS      LYS   5   4.576  -1.456  -2.996
   39   1HD   LYS   5           HDR      LYS   5   4.153  -3.143  -4.668
   40   2HD   LYS   5           HDS      LYS   5   5.660  -2.309  -4.922
   41   1HE   LYS   5           HES      LYS   5   5.994  -4.632  -5.372
   42   2HE   LYS   5           HER      LYS   5   6.831  -4.234  -3.846
   43   1HZ   LYS   5           HZC      LYS   5   4.411  -4.966  -3.017
   44   2HZ   LYS   5           HZA      LYS   5   4.604  -5.961  -4.296
   45   3HZ   LYS   5           HZB      LYS   5   5.702  -5.963  -3.087
   46    H    CYS   6           HN       CYS   6   8.831  -3.067  -2.222
   47    HA   CYS   6           HA       CYS   6   8.687  -5.844  -3.189
   48   1HB   CYS   6           HBS      CYS   6  10.381  -5.238  -4.787
   49   2HB   CYS   6           HBR      CYS   6   8.982  -4.133  -4.842
   50    H    ASP   7           HN       ASP   7  10.156  -4.153  -0.673
   51    HA   ASP   7           HA       ASP   7  11.844  -4.541   0.755
   52   1HB   ASP   7           HBS      ASP   7  12.320  -6.674   1.477
   53   2HB   ASP   7           HBR      ASP   7  10.625  -6.740   0.916
   54    H    LYS   8           HN       LYS   8  12.597  -3.229  -1.343
   55    HA   LYS   8           HA       LYS   8  15.418  -4.182  -1.534
   56   1HB   LYS   8           HBR      LYS   8  13.913  -3.190  -3.627
   57   2HB   LYS   8           HBS      LYS   8  14.747  -1.734  -3.015
   58   1HG   LYS   8           HGS      LYS   8  15.972  -2.911  -4.850
   59   2HG   LYS   8           HGR      LYS   8  16.910  -2.760  -3.337
   60   1HD   LYS   8           HDR      LYS   8  16.380  -5.056  -2.781
   61   2HD   LYS   8           HDS      LYS   8  15.350  -5.219  -4.176
   62   1HE   LYS   8           HER      LYS   8  17.566  -6.263  -4.435
   63   2HE   LYS   8           HES      LYS   8  17.245  -5.009  -5.666
   64   1HZ   LYS   8           HZA      LYS   8  18.546  -3.492  -4.338
   65   2HZ   LYS   8           HZB      LYS   8  18.854  -4.652  -3.231
   66   3HZ   LYS   8           HZC      LYS   8  19.437  -4.797  -4.750
   67    H    GLU   9           HN       GLU   9  16.665  -1.796  -1.761
   68    HA   GLU   9           HA       GLU   9  15.681  -0.102   0.499
   69   1HB   GLU   9           HBS      GLU   9  18.317   0.290  -0.727
   70   2HB   GLU   9           HBR      GLU   9  17.845   0.665   0.834
   71   1HG   GLU   9           HGR      GLU   9  17.711  -2.160   0.873
   72   2HG   GLU   9           HGS      GLU   9  18.972  -1.810  -0.339
   73    H    VAL  10           HN       VAL  10  15.739   2.175   0.119
   74    HA   VAL  10           HA       VAL  10  14.904   2.615  -2.690
   75    HB   VAL  10           HB       VAL  10  13.809   3.531  -0.033
   76   1HG1  VAL  10           HMG      VAL  10  13.827   5.369  -1.895
   77   2HG1  VAL  10           HMG      VAL  10  12.506   4.401  -2.592
   78   3HG1  VAL  10           HMG      VAL  10  12.354   5.059  -0.945
   79   1HG2  VAL  10           HMG      VAL  10  13.304   1.299  -1.508
   80   2HG2  VAL  10           HMG      VAL  10  12.201   2.031  -0.320
   81   3HG2  VAL  10           HMG      VAL  10  12.010   2.403  -2.048
   82    H    TYR  11           HN       TYR  11  15.956   3.980  -3.873
   83    HA   TYR  11           HA       TYR  11  18.059   5.678  -2.699
   84   1HB   TYR  11           HBS      TYR  11  18.379   4.345  -4.830
   85   2HB   TYR  11           HBR      TYR  11  17.217   5.457  -5.607
   86    HD1  TYR  11           HD2      TYR  11  20.316   5.654  -3.501
   87    HD2  TYR  11           HD1      TYR  11  18.160   7.223  -6.813
   88    HE1  TYR  11           HE2      TYR  11  22.192   7.154  -3.999
   89    HE2  TYR  11           HE1      TYR  11  20.029   8.736  -7.321
   90    HH   TYR  11           HH       TYR  11  21.911   9.629  -6.554
   91    H    PHE  12           HN       PHE  12  18.136   7.945  -3.182
   92    HA   PHE  12           HA       PHE  12  16.002   9.026  -1.904
   93   1HB   PHE  12           HBR      PHE  12  17.689  10.840  -3.651
   94   2HB   PHE  12           HBS      PHE  12  16.977  11.156  -2.041
   95    HD1  PHE  12           HD2      PHE  12  18.123  10.221   0.008
   96    HD2  PHE  12           HD1      PHE  12  19.683   9.716  -3.925
   97    HE1  PHE  12           HE2      PHE  12  20.271   9.452   0.964
   98    HE2  PHE  12           HE1      PHE  12  21.821   8.947  -3.002
   99    HZ   PHE  12           HZ       PHE  12  22.099   8.757  -0.559
  100    H    ALA  13           HN       ALA  13  16.805  10.190  -5.192
  101    HA   ALA  13           HA       ALA  13  14.373  11.293  -5.620
  102   1HB   ALA  13           HMB      ALA  13  16.642  10.433  -7.346
  103   2HB   ALA  13           HMB      ALA  13  15.127  10.862  -8.179
  104   3HB   ALA  13           HMB      ALA  13  15.930  12.050  -7.120
  105    H    GLU  14           HN       GLU  14  14.883   8.008  -5.543
  106    HA   GLU  14           HA       GLU  14  12.549   7.393  -7.235
  107   1HB   GLU  14           HBS      GLU  14  14.485   5.789  -5.623
  108   2HB   GLU  14           HBR      GLU  14  13.235   5.052  -6.467
  109   1HG   GLU  14           HGS      GLU  14  15.249   6.908  -7.769
  110   2HG   GLU  14           HGR      GLU  14  15.642   5.176  -7.604
  111    H    ARG  15           HN       ARG  15  12.589   8.778  -4.427
  112    HA   ARG  15           HA       ARG  15  11.496   6.663  -2.729
  113   1HB   ARG  15           HBR      ARG  15  11.876   8.122  -0.886
  114   2HB   ARG  15           HBS      ARG  15  13.307   8.199  -1.953
  115   1HG   ARG  15           HGR      ARG  15  12.043  10.322  -2.917
  116   2HG   ARG  15           HGS      ARG  15  11.268  10.295  -1.307
  117   1HD   ARG  15           HDS      ARG  15  14.020   9.846  -0.906
  118   2HD   ARG  15           HDR      ARG  15  13.876  11.195  -2.069
  119    HE   ARG  15           HE       ARG  15  12.661  12.439  -0.425
  120   1HH1  ARG  15           HH1      ARG  15  13.603   9.263   0.787
  121   2HH1  ARG  15           HH1      ARG  15  13.578   9.768   2.443
  122   1HH2  ARG  15           HH2      ARG  15  12.772  13.095   1.742
  123   2HH2  ARG  15           HH2      ARG  15  13.118  11.939   2.984
  124    H    VAL  16           HN       VAL  16   9.602   6.772  -1.550
  125    HA   VAL  16           HA       VAL  16   8.119   9.243  -1.554
  126    HB   VAL  16           HB       VAL  16   5.955   8.391  -2.108
  127   1HG1  VAL  16           HMG      VAL  16   7.469   9.221  -3.943
  128   2HG1  VAL  16           HMG      VAL  16   7.769   7.516  -4.363
  129   3HG1  VAL  16           HMG      VAL  16   6.119   8.180  -4.462
  130   1HG2  VAL  16           HMG      VAL  16   7.282   5.722  -2.621
  131   2HG2  VAL  16           HMG      VAL  16   6.105   6.117  -1.346
  132   3HG2  VAL  16           HMG      VAL  16   5.607   6.136  -3.055
  133    H    THR  17           HN       THR  17   6.758   9.437   0.253
  134    HA   THR  17           HA       THR  17   7.701   7.641   2.426
  135    HB   THR  17           HB       THR  17   6.630  10.422   2.988
  136    HG1  THR  17           HG1      THR  17   8.312  11.268   2.514
  137   1HG2  THR  17           HMG      THR  17   8.475   8.480   4.275
  138   2HG2  THR  17           HMG      THR  17   8.856  10.211   4.464
  139   3HG2  THR  17           HMG      THR  17   7.274   9.583   4.994
  140    H    SER  18           HN       SER  18   6.344   6.886   3.969
  141    HA   SER  18           HA       SER  18   3.715   7.581   4.412
  142   1HB   SER  18           HBS      SER  18   3.248   6.896   2.099
  143   2HB   SER  18           HBR      SER  18   3.809   5.242   2.480
  144    HG   SER  18           HG       SER  18   1.653   6.796   3.671
  145    H    LEU  19           HN       LEU  19   2.943   6.562   6.156
  146    HA   LEU  19           HA       LEU  19   3.176   5.513   8.179
  147   1HB   LEU  19           HBR      LEU  19   3.911   3.383   6.160
  148   2HB   LEU  19           HBS      LEU  19   3.713   3.047   7.904
  149    HG   LEU  19           HG       LEU  19   1.714   2.396   6.788
  150   1HD1  LEU  19           HMD      LEU  19   1.767   4.186   8.868
  151   2HD1  LEU  19           HMD      LEU  19   0.675   4.989   7.713
  152   3HD1  LEU  19           HMD      LEU  19   0.317   3.338   8.277
  153   1HD2  LEU  19           HMD      LEU  19   2.298   4.004   4.834
  154   2HD2  LEU  19           HMD      LEU  19   0.585   3.683   5.203
  155   3HD2  LEU  19           HMD      LEU  19   1.344   5.200   5.749
  156    H    GLY  20           HN       GLY  20   5.368   7.144   7.404
  157   1HA   GLY  20           HAR      GLY  20   7.338   7.775   8.409
  158   2HA   GLY  20           HAS      GLY  20   6.954   6.541   9.638
  159    H    LYS  21           HN       LYS  21   7.176   5.419   6.389
  160    HA   LYS  21           HA       LYS  21  10.084   5.158   6.406
  161   1HB   LYS  21           HBR      LYS  21   8.284   2.819   6.726
  162   2HB   LYS  21           HBS      LYS  21   9.535   2.684   5.460
  163   1HG   LYS  21           HGR      LYS  21   9.937   3.167   8.433
  164   2HG   LYS  21           HGS      LYS  21  10.435   1.743   7.474
  165   1HD   LYS  21           HDR      LYS  21  12.408   2.703   7.446
  166   2HD   LYS  21           HDS      LYS  21  11.754   3.617   6.116
  167   1HE   LYS  21           HER      LYS  21  11.579   5.539   7.338
  168   2HE   LYS  21           HES      LYS  21  11.368   4.671   8.885
  169   1HZ   LYS  21           HZC      LYS  21  13.889   4.776   7.377
  170   2HZ   LYS  21           HZA      LYS  21  13.531   5.754   8.636
  171   3HZ   LYS  21           HZB      LYS  21  13.664   4.143   8.866
  172    H    ASP  22           HN       ASP  22  10.912   4.649   4.311
  173    HA   ASP  22           HA       ASP  22   9.284   6.005   2.362
  174   1HB   ASP  22           HBS      ASP  22  12.097   5.055   1.915
  175   2HB   ASP  22           HBR      ASP  22  11.237   6.447   1.196
  176    H    TRP  23           HN       TRP  23   9.414   5.371   0.029
  177    HA   TRP  23           HA       TRP  23   9.451   2.436  -0.424
  178   1HB   TRP  23           HBR      TRP  23   7.313   4.365  -1.338
  179   2HB   TRP  23           HBS      TRP  23   7.319   2.577  -1.490
  180    HD1  TRP  23           HD1      TRP  23   6.955   5.381   1.146
  181    HE1  TRP  23           HE1      TRP  23   5.382   4.543   3.001
  182    HE3  TRP  23           HE3      TRP  23   6.275   0.635  -0.547
  183    HZ2  TRP  23           HZ2      TRP  23   3.891   2.225   3.524
  184    HZ3  TRP  23           HZ3      TRP  23   4.776  -0.852   0.701
  185    HH2  TRP  23           HH2      TRP  23   3.523  -0.050   2.634
  186    H    HIS  24           HN       ZHI  24   9.068   2.071  -2.882
  187    HA   HIS  24           HA       ZHI  24  10.664   3.966  -4.443
  188   1HB   HIS  24           HBS      ZHI  24   9.409   1.313  -5.279
  189   2HB   HIS  24           HBR      ZHI  24  10.490   2.327  -6.280
  190    HD2  HIS  24           HD2      ZHI  24  12.879   2.945  -4.320
  191    HE1  HIS  24           HE1      ZHI  24  12.720  -0.925  -2.747
  192    HE2  HIS  24           HE2      ZHI  24  14.234   1.032  -3.223
  193    H    ARG  25           HN       ARG  25   9.978   5.289  -5.979
  194    HA   ARG  25           HA       ARG  25   7.421   6.242  -5.978
  195   1HB   ARG  25           HBR      ARG  25   8.131   6.918  -8.529
  196   2HB   ARG  25           HBS      ARG  25   8.584   7.809  -7.051
  197   1HG   ARG  25           HGS      ARG  25  10.753   7.397  -7.354
  198   2HG   ARG  25           HGR      ARG  25  10.474   5.662  -7.668
  199   1HD   ARG  25           HDS      ARG  25  11.467   6.659  -9.593
  200   2HD   ARG  25           HDR      ARG  25   9.773   6.236  -9.961
  201    HE   ARG  25           HE       ARG  25  10.911   8.937  -9.717
  202   1HH1  ARG  25           HH1      ARG  25   8.144   6.863 -10.403
  203   2HH1  ARG  25           HH1      ARG  25   7.133   8.184 -10.881
  204   1HH2  ARG  25           HH2      ARG  25   9.521  10.652 -10.231
  205   2HH2  ARG  25           HH2      ARG  25   7.912  10.330 -10.784
  206    HA   PRO  26           HA       PRO  26   6.421   3.453  -9.794
  207   1HB   PRO  26           HBR      PRO  26   7.971   1.232  -9.882
  208   2HB   PRO  26           HBS      PRO  26   8.004   2.474 -10.955
  209   1HG   PRO  26           HGS      PRO  26   9.839   1.878  -8.951
  210   2HG   PRO  26           HGR      PRO  26  10.041   2.865 -10.280
  211   1HD   PRO  26           HDS      PRO  26   9.732   3.729  -7.765
  212   2HD   PRO  26           HDR      PRO  26   9.543   4.662  -9.118
  213    H    CYS  27           HN       CYS  27   7.382   2.247  -6.773
  214    HA   CYS  27           HA       CYS  27   5.794  -0.136  -6.926
  215   1HB   CYS  27           HBS      CYS  27   7.514   1.201  -4.898
  216   2HB   CYS  27           HBR      CYS  27   6.291   0.039  -4.310
  217    H    LEU  28           HN       LEU  28   5.402   3.004  -5.290
  218    HA   LEU  28           HA       LEU  28   3.007   2.215  -3.847
  219   1HB   LEU  28           HBR      LEU  28   4.833   4.013  -3.352
  220   2HB   LEU  28           HBS      LEU  28   3.850   5.040  -4.433
  221    HG   LEU  28           HG       LEU  28   1.923   4.211  -2.767
  222   1HD1  LEU  28           HMD      LEU  28   4.493   3.691  -1.403
  223   2HD1  LEU  28           HMD      LEU  28   3.328   4.668  -0.474
  224   3HD1  LEU  28           HMD      LEU  28   2.863   3.055  -1.073
  225   1HD2  LEU  28           HMD      LEU  28   3.307   6.519  -3.361
  226   2HD2  LEU  28           HMD      LEU  28   1.885   6.406  -2.297
  227   3HD2  LEU  28           HMD      LEU  28   3.525   6.379  -1.598
  228    H    LYS  29           HN       LYS  29   1.791   1.296  -5.558
  229    HA   LYS  29           HA       LYS  29   0.305   3.224  -7.170
  230   1HB   LYS  29           HBR      LYS  29   2.307   2.664  -8.580
  231   2HB   LYS  29           HBS      LYS  29   1.757   0.963  -8.575
  232   1HG   LYS  29           HGS      LYS  29  -0.479   1.924  -9.491
  233   2HG   LYS  29           HGR      LYS  29   0.484   3.379  -9.874
  234   1HD   LYS  29           HDS      LYS  29   1.699   0.842 -10.730
  235   2HD   LYS  29           HDR      LYS  29   0.120   1.111 -11.415
  236   1HE   LYS  29           HER      LYS  29   1.004   3.486 -11.955
  237   2HE   LYS  29           HES      LYS  29   2.608   2.723 -11.766
  238   1HZ   LYS  29           HZC      LYS  29   0.543   1.568 -13.490
  239   2HZ   LYS  29           HZA      LYS  29   1.578   2.706 -14.040
  240   3HZ   LYS  29           HZB      LYS  29   2.150   1.276 -13.495
  241    H    CYS  30           HN       CYS  30  -1.678   2.472  -7.756
  242    HA   CYS  30           HA       CYS  30  -2.781   0.319  -6.171
  243   1HB   CYS  30           HBS      CYS  30  -3.940   2.450  -7.004
  244   2HB   CYS  30           HBR      CYS  30  -4.096   1.586  -8.562
  245    H    GLU  31           HN       GLU  31  -2.628  -1.739  -6.575
  246    HA   GLU  31           HA       GLU  31  -2.260  -2.709  -9.348
  247   1HB   GLU  31           HBS      GLU  31  -1.596  -3.443  -6.681
  248   2HB   GLU  31           HBR      GLU  31  -2.454  -4.732  -7.326
  249   1HG   GLU  31           HGS      GLU  31  -0.304  -5.320  -7.960
  250   2HG   GLU  31           HGR      GLU  31  -0.705  -4.366  -9.415
  251    H    LYS  32           HN       LYS  32  -4.796  -1.520  -8.163
  252    HA   LYS  32           HA       LYS  32  -6.591  -3.777  -8.927
  253   1HB   LYS  32           HBR      LYS  32  -6.901  -2.205  -6.729
  254   2HB   LYS  32           HBS      LYS  32  -7.789  -1.251  -7.950
  255   1HG   LYS  32           HGR      LYS  32  -8.365  -4.178  -7.851
  256   2HG   LYS  32           HGS      LYS  32  -8.935  -3.194  -6.471
  257   1HD   LYS  32           HDS      LYS  32 -10.691  -3.361  -8.070
  258   2HD   LYS  32           HDR      LYS  32 -10.117  -1.721  -7.952
  259   1HE   LYS  32           HES      LYS  32  -8.763  -3.253 -10.044
  260   2HE   LYS  32           HER      LYS  32 -10.527  -3.078 -10.268
  261   1HZ   LYS  32           HZB      LYS  32  -8.812  -0.790  -9.637
  262   2HZ   LYS  32           HZC      LYS  32  -9.067  -1.273 -11.176
  263   3HZ   LYS  32           HZA      LYS  32 -10.324  -0.785 -10.254
  264    H    CYS  33           HN       CYS  33  -6.442  -0.196  -9.107
  265    HA   CYS  33           HA       CYS  33  -7.595  -0.406 -11.786
  266   1HB   CYS  33           HBS      CYS  33  -8.185   1.904 -11.556
  267   2HB   CYS  33           HBR      CYS  33  -8.673   0.969 -10.118
  268    H    GLY  34           HN       GLY  34  -4.564   0.390 -10.309
  269   1HA   GLY  34           HAR      GLY  34  -2.512   0.798 -11.256
  270   2HA   GLY  34           HAS      GLY  34  -3.286   0.650 -12.855
  271    H    LYS  35           HN       LYS  35  -3.889   2.933 -10.163
  272    HA   LYS  35           HA       LYS  35  -2.764   5.118 -11.857
  273   1HB   LYS  35           HBS      LYS  35  -3.892   6.717 -10.462
  274   2HB   LYS  35           HBR      LYS  35  -5.077   5.557 -11.123
  275   1HG   LYS  35           HGR      LYS  35  -5.776   5.001  -9.072
  276   2HG   LYS  35           HGS      LYS  35  -4.106   4.682  -8.522
  277   1HD   LYS  35           HDR      LYS  35  -5.044   6.320  -7.123
  278   2HD   LYS  35           HDS      LYS  35  -3.776   7.048  -8.072
  279   1HE   LYS  35           HES      LYS  35  -6.737   7.248  -8.672
  280   2HE   LYS  35           HER      LYS  35  -5.765   8.473  -7.809
  281   1HZ   LYS  35           HZB      LYS  35  -4.346   8.428  -9.875
  282   2HZ   LYS  35           HZC      LYS  35  -5.587   7.664 -10.612
  283   3HZ   LYS  35           HZA      LYS  35  -5.802   9.160  -9.994
  284    H    THR  36           HN       THR  36  -0.902   5.946 -11.266
  285    HA   THR  36           HA       THR  36   0.618   4.953  -9.011
  286    HB   THR  36           HB       THR  36   1.089   7.392 -10.821
  287    HG1  THR  36           HG1      THR  36   1.274   6.037 -11.992
  288   1HG2  THR  36           HMG      THR  36   2.293   7.390  -8.568
  289   2HG2  THR  36           HMG      THR  36   3.185   5.972  -9.176
  290   3HG2  THR  36           HMG      THR  36   3.300   7.532 -10.032
  291    H    LEU  37           HN       LEU  37   0.910   5.818  -7.051
  292    HA   LEU  37           HA       LEU  37  -1.427   7.364  -6.227
  293   1HB   LEU  37           HBR      LEU  37   0.606   5.693  -4.717
  294   2HB   LEU  37           HBS      LEU  37  -0.884   6.395  -4.024
  295    HG   LEU  37           HG       LEU  37  -0.947   4.444  -6.326
  296   1HD1  LEU  37           HMD      LEU  37  -0.690   3.951  -3.365
  297   2HD1  LEU  37           HMD      LEU  37  -1.614   2.830  -4.395
  298   3HD1  LEU  37           HMD      LEU  37   0.112   3.126  -4.725
  299   1HD2  LEU  37           HMD      LEU  37  -2.824   5.904  -4.599
  300   2HD2  LEU  37           HMD      LEU  37  -3.074   5.156  -6.196
  301   3HD2  LEU  37           HMD      LEU  37  -3.170   4.160  -4.721
  302    H    THR  38           HN       THR  38  -1.209   8.770  -4.265
  303    HA   THR  38           HA       THR  38   0.818  10.787  -5.037
  304    HB   THR  38           HB       THR  38  -1.840  11.353  -3.638
  305    HG1  THR  38           HG1      THR  38  -1.175  11.199  -6.268
  306   1HG2  THR  38           HMG      THR  38   0.078  12.995  -5.274
  307   2HG2  THR  38           HMG      THR  38  -1.635  13.461  -5.113
  308   3HG2  THR  38           HMG      THR  38  -0.610  13.316  -3.662
  309    H    SER  39           HN       SER  39   1.103  12.516  -3.265
  310    HA   SER  39           HA       SER  39   2.167  11.452  -0.875
  311   1HB   SER  39           HBS      SER  39   1.140  14.250  -1.421
  312   2HB   SER  39           HBR      SER  39   2.167  13.755  -0.043
  313    HG   SER  39           HG       SER  39   3.667  12.851  -1.663
  314    H    GLY  40           HN       GLY  40   0.608   9.959  -0.154
  315   1HA   GLY  40           HAR      GLY  40  -0.833   9.318   1.527
  316   2HA   GLY  40           HAS      GLY  40  -0.905  11.029   2.031
  317    H    GLY  41           HN       GLY  41  -1.837   9.330  -0.983
  318   1HA   GLY  41           HAR      GLY  41  -4.695   9.674  -0.200
  319   2HA   GLY  41           HAS      GLY  41  -4.178   9.989  -1.877
  320    H    HIS  42           HN       HIS  42  -2.193   7.585  -0.734
  321    HA   HIS  42           HA       HIS  42  -3.916   5.449  -1.725
  322   1HB   HIS  42           HBS      HIS  42  -1.921   4.076  -1.790
  323   2HB   HIS  42           HBR      HIS  42  -1.581   5.665  -2.537
  324    HD1  HIS  42           HD1      HIS  42  -0.214   3.336  -0.051
  325    HD2  HIS  42           HD2      HIS  42  -0.261   7.466  -0.594
  326    HE1  HIS  42           HE1      HIS  42   1.534   4.269   1.482
  327    HE2  HIS  42           HE2      HIS  42   1.522   6.767   1.147
  328    H    ALA  43           HN       ALA  43  -2.937   3.239  -0.515
  329    HA   ALA  43           HA       ALA  43  -2.300   3.463   2.185
  330   1HB   ALA  43           HMB      ALA  43  -5.198   3.024   1.667
  331   2HB   ALA  43           HMB      ALA  43  -4.427   2.016   2.919
  332   3HB   ALA  43           HMB      ALA  43  -4.370   3.792   3.046
  333    H    GLU  44           HN       GLU  44  -1.952   1.350   3.182
  334    HA   GLU  44           HA       GLU  44  -1.128  -0.499   0.980
  335   1HB   GLU  44           HBR      GLU  44   0.957  -0.641   2.082
  336   2HB   GLU  44           HBS      GLU  44   0.541   0.962   1.820
  337   1HG   GLU  44           HGS      GLU  44  -0.442   0.973   4.216
  338   2HG   GLU  44           HGR      GLU  44   0.649  -0.405   4.518
  339    H    HIS  45           HN       HIS  45  -1.599  -2.558   1.170
  340    HA   HIS  45           HA       HIS  45  -2.174  -3.708   3.846
  341   1HB   HIS  45           HBS      HIS  45  -3.959  -4.330   2.255
  342   2HB   HIS  45           HBR      HIS  45  -2.732  -4.912   1.094
  343    HD1  HIS  45           HD1      HIS  45  -3.736  -5.724   4.745
  344    HD2  HIS  45           HD2      HIS  45  -2.208  -7.523   1.312
  345    HE1  HIS  45           HE1      HIS  45  -3.458  -8.156   5.284
  346    HE2  HIS  45           HE2      HIS  45  -2.557  -9.254   3.204
  347    H    GLU  46           HN       GLU  46  -1.047  -5.836   4.113
  348    HA   GLU  46           HA       GLU  46   1.516  -5.077   4.459
  349   1HB   GLU  46           HBR      GLU  46   0.211  -7.788   4.380
  350   2HB   GLU  46           HBS      GLU  46   1.862  -7.650   4.650
  351   1HG   GLU  46           HGR      GLU  46  -0.301  -6.585   6.495
  352   2HG   GLU  46           HGS      GLU  46   1.017  -7.748   6.805
  353    H    GLY  47           HN       GLY  47   2.739  -4.376   2.803
  354   1HA   GLY  47           HAR      GLY  47   4.068  -4.396   0.919
  355   2HA   GLY  47           HAS      GLY  47   3.947  -6.176   0.925
  356    H    LYS  48           HN       LYS  48   1.484  -3.585   0.584
  357    HA   LYS  48           HA       LYS  48   1.647  -3.428  -2.226
  358   1HB   LYS  48           HBS      LYS  48   0.177  -5.709  -1.427
  359   2HB   LYS  48           HBR      LYS  48  -1.024  -4.477  -1.905
  360   1HG   LYS  48           HGR      LYS  48  -0.680  -5.066  -4.031
  361   2HG   LYS  48           HGS      LYS  48   0.970  -4.394  -3.896
  362   1HD   LYS  48           HDR      LYS  48   0.891  -6.993  -2.721
  363   2HD   LYS  48           HDS      LYS  48   0.173  -7.089  -4.305
  364   1HE   LYS  48           HES      LYS  48   2.937  -6.158  -3.538
  365   2HE   LYS  48           HER      LYS  48   2.461  -7.530  -4.578
  366   1HZ   LYS  48           HZB      LYS  48   1.368  -5.441  -5.815
  367   2HZ   LYS  48           HZC      LYS  48   2.738  -4.766  -5.235
  368   3HZ   LYS  48           HZA      LYS  48   2.820  -6.083  -6.197
  369    HA   PRO  49           HA       PRO  49  -0.691   0.108  -0.768
  370   1HB   PRO  49           HBR      PRO  49   0.541   1.780  -2.389
  371   2HB   PRO  49           HBS      PRO  49   1.054   1.487  -0.854
  372   1HG   PRO  49           HGS      PRO  49   2.156   0.578  -3.272
  373   2HG   PRO  49           HGR      PRO  49   2.929   0.844  -1.815
  374   1HD   PRO  49           HDS      PRO  49   2.218  -1.562  -2.764
  375   2HD   PRO  49           HDR      PRO  49   2.633  -1.243  -1.195
  376    H    TYR  50           HN       TYR  50  -2.518   0.902  -1.517
  377    HA   TYR  50           HA       TYR  50  -2.929   0.757  -4.433
  378   1HB   TYR  50           HBR      TYR  50  -5.064  -0.149  -2.468
  379   2HB   TYR  50           HBS      TYR  50  -5.157  -0.131  -4.252
  380    HD1  TYR  50           HD1      TYR  50  -2.423  -1.334  -4.834
  381    HD2  TYR  50           HD2      TYR  50  -5.573  -2.476  -2.216
  382    HE1  TYR  50           HE1      TYR  50  -1.623  -3.658  -4.895
  383    HE2  TYR  50           HE2      TYR  50  -4.893  -4.826  -2.413
  384    HH   TYR  50           HH       TYR  50  -3.619  -6.125  -4.402
  385    H    CYS  51           HN       CYS  51  -5.306   1.869  -4.701
  386    HA   CYS  51           HA       CYS  51  -5.514   4.442  -3.704
  387   1HB   CYS  51           HBS      CYS  51  -7.724   2.478  -4.340
  388   2HB   CYS  51           HBR      CYS  51  -7.991   4.200  -3.958
  389    H    ASN  52           HN       ASN  52  -5.889   5.383  -1.860
  390    HA   ASN  52           HA       ASN  52  -6.643   4.068   0.557
  391   1HB   ASN  52           HBS      ASN  52  -5.508   6.305   0.346
  392   2HB   ASN  52           HBR      ASN  52  -7.109   6.978  -0.070
  393   1HD2  ASN  52           HD2      ASN  52  -6.719   5.308   3.701
  394   2HD2  ASN  52           HD2      ASN  52  -6.267   4.416   2.286
  395    H    HIS  53           HN       HIS  53  -8.437   5.457  -2.121
  396    HA   HIS  53           HA       HIS  53 -10.515   3.522  -1.571
  397   1HB   HIS  53           HBS      HIS  53 -11.148   6.481  -1.343
  398   2HB   HIS  53           HBR      HIS  53 -12.353   5.323  -1.978
  399    HD1  HIS  53           HD1      HIS  53 -13.688   4.018  -0.232
  400    HD2  HIS  53           HD2      HIS  53 -10.394   6.005   1.363
  401    HE1  HIS  53           HE1      HIS  53 -13.958   3.945   2.259
  402    HE2  HIS  53           HE2      HIS  53 -11.978   5.166   3.230
  403    HA   PRO  54           HA       PRO  54 -12.505   3.296  -2.266
  404   1HB   PRO  54           HBS      PRO  54 -13.648   1.636  -3.975
  405   2HB   PRO  54           HBR      PRO  54 -14.267   3.118  -3.625
  406   1HG   PRO  54           HGR      PRO  54 -13.177   2.258  -6.005
  407   2HG   PRO  54           HGS      PRO  54 -13.897   3.727  -5.678
  408   1HD   PRO  54           HDR      PRO  54 -11.163   3.101  -5.776
  409   2HD   PRO  54           HDS      PRO  54 -11.874   4.595  -5.842
  410    H    CYS  55           HN       CYS  55 -10.193   2.146  -4.392
  411    HA   CYS  55           HA       CYS  55 -10.713  -0.480  -4.433
  412   1HB   CYS  55           HBS      CYS  55  -7.925   0.701  -4.528
  413   2HB   CYS  55           HBR      CYS  55  -8.434  -0.886  -5.170
  414    H    TYR  56           HN       TYR  56  -8.857   1.141  -1.907
  415    HA   TYR  56           HA       TYR  56  -7.967  -1.291  -0.570
  416   1HB   TYR  56           HBR      TYR  56  -6.803   0.874  -0.262
  417   2HB   TYR  56           HBS      TYR  56  -8.278   1.546   0.488
  418    HD1  TYR  56           HD2      TYR  56  -5.479  -0.816   0.924
  419    HD2  TYR  56           HD1      TYR  56  -8.887   0.929   2.775
  420    HE1  TYR  56           HE2      TYR  56  -4.757  -1.724   3.086
  421    HE2  TYR  56           HE1      TYR  56  -8.155   0.059   4.955
  422    HH   TYR  56           HH       TYR  56  -5.043  -1.029   5.502
  423    H    SER  57           HN       SER  57 -10.314   1.254   0.365
  424    HA   SER  57           HA       SER  57 -11.190  -0.243   2.612
  425   1HB   SER  57           HBS      SER  57 -12.255   2.207   1.219
  426   2HB   SER  57           HBR      SER  57 -13.094   1.470   2.614
  427    HG   SER  57           HG       SER  57 -10.377   2.479   2.361
  428    H    ALA  58           HN       ALA  58 -12.016  -0.412  -0.704
  429    HA   ALA  58           HA       ALA  58 -14.680  -1.473  -0.257
  430   1HB   ALA  58           HMB      ALA  58 -14.141  -0.041  -2.170
  431   2HB   ALA  58           HMB      ALA  58 -13.008  -1.275  -2.777
  432   3HB   ALA  58           HMB      ALA  58 -14.750  -1.633  -2.684
  433    H    MET  59           HN       MET  59 -11.589  -2.755  -1.525
  434    HA   MET  59           HA       MET  59 -12.893  -5.333  -1.934
  435   1HB   MET  59           HBR      MET  59 -10.728  -3.801  -3.145
  436   2HB   MET  59           HBS      MET  59 -10.304  -5.522  -2.911
  437   1HG   MET  59           HGS      MET  59 -12.211  -6.257  -4.178
  438   2HG   MET  59           HGR      MET  59 -12.928  -4.627  -4.149
  439   1HE   MET  59           HME      MET  59 -11.950  -2.700  -4.909
  440   2HE   MET  59           HME      MET  59 -10.263  -2.531  -5.454
  441   3HE   MET  59           HME      MET  59 -11.579  -2.642  -6.651
  442    H    PHE  60           HN       PHE  60 -10.337  -3.934   0.035
  443    HA   PHE  60           HA       PHE  60  -8.993  -6.391   0.522
  444   1HB   PHE  60           HBR      PHE  60  -8.565  -3.616   1.225
  445   2HB   PHE  60           HBS      PHE  60  -8.352  -4.646   2.671
  446    HD1  PHE  60           HD2      PHE  60  -7.225  -7.144   1.383
  447    HD2  PHE  60           HD1      PHE  60  -6.501  -3.017   0.607
  448    HE1  PHE  60           HE2      PHE  60  -5.061  -7.728   0.337
  449    HE2  PHE  60           HE1      PHE  60  -4.348  -3.570  -0.432
  450    HZ   PHE  60           HZ       PHE  60  -3.654  -5.928  -0.626
  451    H    GLY  61           HN       GLY  61 -10.593  -7.838   1.193
  452   1HA   GLY  61           HAS      GLY  61 -10.511  -8.278   4.003
  453   2HA   GLY  61           HAR      GLY  61 -12.146  -7.715   3.552
  454    HA   PRO  62           HA       PRO  62 -11.596 -11.320   0.581
  455   1HB   PRO  62           HBS      PRO  62  -9.281 -12.675   0.534
  456   2HB   PRO  62           HBR      PRO  62  -9.706 -11.508  -0.541
  457   1HG   PRO  62           HGS      PRO  62  -7.866 -11.380   1.555
  458   2HG   PRO  62           HGR      PRO  62  -7.986 -10.381   0.225
  459   1HD   PRO  62           HDS      PRO  62  -8.747  -9.741   2.722
  460   2HD   PRO  62           HDR      PRO  62  -9.154  -8.908   1.353
  461    H    LYS  63           HN       LYS  63  -9.290 -13.051   2.448
  462    HA   LYS  63           HA       LYS  63  -9.479 -15.013   3.627
  463   1HB   LYS  63           HBR      LYS  63 -11.713 -13.592   4.528
  464   2HB   LYS  63           HBS      LYS  63 -12.363 -15.159   3.970
  465   1HG   LYS  63           HGR      LYS  63 -11.448 -16.289   5.695
  466   2HG   LYS  63           HGS      LYS  63  -9.910 -15.386   5.595
  467   1HD   LYS  63           HDS      LYS  63 -11.022 -15.051   7.732
  468   2HD   LYS  63           HDR      LYS  63 -10.764 -13.581   6.834
  469   1HE   LYS  63           HES      LYS  63 -13.388 -14.914   6.469
  470   2HE   LYS  63           HER      LYS  63 -13.051 -14.121   8.033
  471   1HZ   LYS  63           HZC      LYS  63 -12.336 -12.191   6.576
  472   2HZ   LYS  63           HZA      LYS  63 -13.157 -12.926   5.370
  473   3HZ   LYS  63           HZB      LYS  63 -13.938 -12.471   6.731
  474    H    GLY  64           HN       GLY  64 -12.752 -14.930   2.227
  475   1HA   GLY  64           HAR      GLY  64 -13.767 -16.185   0.572
  476   2HA   GLY  64           HAS      GLY  64 -12.161 -16.468  -0.149
  477    H    PHE  65           HN       PHE  65 -14.743 -17.956   1.225
  478    HA   PHE  65           HA       PHE  65 -13.156 -19.986   2.693
  479   1HB   PHE  65           HBS      PHE  65 -16.086 -19.185   2.923
  480   2HB   PHE  65           HBR      PHE  65 -15.383 -20.633   3.704
  481    HD1  PHE  65           HD1      PHE  65 -13.018 -20.028   4.808
  482    HD2  PHE  65           HD2      PHE  65 -16.276 -17.313   4.399
  483    HE1  PHE  65           HE1      PHE  65 -12.174 -18.758   6.730
  484    HE2  PHE  65           HE2      PHE  65 -15.444 -16.012   6.330
  485    HZ   PHE  65           HZ       PHE  65 -13.415 -16.783   7.530
  486    H    GLY  66           HN       GLY  66 -13.578 -19.847  -0.250
  487   1HA   GLY  66           HAS      GLY  66 -13.255 -21.772  -1.585
  488   2HA   GLY  66           HAR      GLY  66 -14.288 -22.709  -0.472
  489    H    ARG  67           HN       ARG  67 -16.618 -21.756  -0.330
  490    HA   ARG  67           HA       ARG  67 -17.645 -22.178  -2.995
  491   1HB   ARG  67           HBR      ARG  67 -19.079 -21.685  -0.366
  492   2HB   ARG  67           HBS      ARG  67 -19.848 -22.178  -1.901
  493   1HG   ARG  67           HGS      ARG  67 -19.684 -24.201  -0.819
  494   2HG   ARG  67           HGR      ARG  67 -18.160 -24.189  -1.748
  495   1HD   ARG  67           HDS      ARG  67 -17.715 -22.855   0.718
  496   2HD   ARG  67           HDR      ARG  67 -18.554 -24.395   1.055
  497    HE   ARG  67           HE       ARG  67 -15.944 -24.112  -0.338
  498   1HH1  ARG  67           HH1      ARG  67 -18.432 -26.194   1.042
  499   2HH1  ARG  67           HH1      ARG  67 -17.345 -27.521   1.273
  500   1HH2  ARG  67           HH2      ARG  67 -14.525 -25.824   0.099
  501   2HH2  ARG  67           HH2      ARG  67 -15.135 -27.314   0.738
  502    H    GLY  68           HN       GLY  68 -16.969 -19.436  -1.044
  503   1HA   GLY  68           HAR      GLY  68 -17.331 -17.452  -2.796
  504   2HA   GLY  68           HAS      GLY  68 -19.010 -17.670  -2.237
  505    H    GLY  69           HN       GLY  69 -19.293 -15.849  -1.080
  506   1HA   GLY  69           HAS      GLY  69 -19.168 -14.821   1.144
  507   2HA   GLY  69           HAR      GLY  69 -17.458 -15.326   1.221
  508    H    ALA  70           HN       ALA  70 -15.897 -14.164   0.146
  509    HA   ALA  70           HA       ALA  70 -14.870 -12.399  -0.890
  510   1HB   ALA  70           HMB      ALA  70 -16.628 -13.491  -2.626
  511   2HB   ALA  70           HMB      ALA  70 -17.223 -11.813  -2.585
  512   3HB   ALA  70           HMB      ALA  70 -15.529 -12.147  -3.023
  513    H    GLU  71           HN       GLU  71 -14.531 -10.660   0.261
  514    HA   GLU  71           HA       GLU  71 -14.725  -8.520   1.055
  515   1HB   GLU  71           HBS      GLU  71 -17.286  -8.288  -0.425
  516   2HB   GLU  71           HBR      GLU  71 -16.255  -7.034  -0.004
  517   1HG   GLU  71           HGS      GLU  71 -15.186  -7.213  -1.999
  518   2HG   GLU  71           HGR      GLU  71 -14.798  -8.933  -1.723
  519    H    SER  72           HN       SER  72 -15.387  -7.880   2.970
  520    HA   SER  72           HA       SER  72 -17.620  -9.413   4.172
  521   1HB   SER  72           HBS      SER  72 -16.432  -8.897   6.324
  522   2HB   SER  72           HBR      SER  72 -15.564  -9.973   5.191
  523    HG   SER  72           HG       SER  72 -15.270  -7.090   5.249
  524    H    HIS  73           HN       HIS  73 -19.410  -8.397   4.575
  525    HA   HIS  73           HA       HIS  73 -19.273  -5.561   5.476
  526   1HB   HIS  73           HBS      HIS  73 -21.854  -5.662   5.005
  527   2HB   HIS  73           HBR      HIS  73 -20.708  -5.327   3.675
  528    HD1  HIS  73           HD1      HIS  73 -22.445  -8.443   5.173
  529    HD2  HIS  73           HD2      HIS  73 -21.165  -6.867   1.536
  530    HE1  HIS  73           HE1      HIS  73 -23.271 -10.006   3.397
  531    HE2  HIS  73           HE2      HIS  73 -22.520  -9.046   1.191
  532    H    THR  74           HN       THR  74 -20.343  -5.012   7.325
  533    HA   THR  74           HA       THR  74 -20.092  -6.906   9.361
  534    HB   THR  74           HB       THR  74 -21.913  -4.536   9.833
  535    HG1  THR  74           HG1      THR  74 -19.240  -4.541   9.345
  536   1HG2  THR  74           HMG      THR  74 -20.705  -6.184  11.557
  537   2HG2  THR  74           HMG      THR  74 -19.420  -4.958  11.393
  538   3HG2  THR  74           HMG      THR  74 -21.053  -4.474  11.918
  539    H    PHE  75           HN       PHE  75 -23.186  -5.232   8.766
  540    HA   PHE  75           HA       PHE  75 -24.637  -7.711   8.559
  541   1HB   PHE  75           HBS      PHE  75 -26.235  -6.890  10.525
  542   2HB   PHE  75           HBR      PHE  75 -24.867  -8.002  10.822
  543    HD1  PHE  75           HD1      PHE  75 -26.006  -4.530  10.964
  544    HD2  PHE  75           HD2      PHE  75 -22.979  -7.253  12.223
  545    HE1  PHE  75           HE1      PHE  75 -25.200  -2.859  12.569
  546    HE2  PHE  75           HE2      PHE  75 -22.146  -5.585  13.848
  547    HZ   PHE  75           HZ       PHE  75 -23.308  -3.405  14.054
  548    H    LYS  76           HN       LYS  76 -26.580  -7.430   7.618
  549    HA   LYS  76           HA       LYS  76 -26.811  -5.010   6.125
  550   1HB   LYS  76           HBS      LYS  76 -28.090  -7.656   6.174
  551   2HB   LYS  76           HBR      LYS  76 -29.195  -6.328   5.718
  552   1HG   LYS  76           HGR      LYS  76 -26.496  -6.818   4.405
  553   2HG   LYS  76           HGS      LYS  76 -28.043  -7.467   3.785
  554   1HD   LYS  76           HDS      LYS  76 -28.511  -5.589   2.760
  555   2HD   LYS  76           HDR      LYS  76 -28.407  -4.712   4.261
  556   1HE   LYS  76           HES      LYS  76 -25.754  -5.083   3.630
  557   2HE   LYS  76           HER      LYS  76 -26.539  -4.823   2.046
  558   1HZ   LYS  76           HZA      LYS  76 -27.409  -3.035   4.089
  559   2HZ   LYS  76           HZB      LYS  76 -25.819  -2.888   3.739
  560   3HZ   LYS  76           HZC      LYS  76 -26.936  -2.722   2.557
   
  No H/Q in entry =         560
  Start of MODEL   25
    1    H    PRO   1           HN       PRO   1  13.394   2.078   5.649
    2    HA   PRO   1           HA       PRO   1  13.250   3.769   3.731
    3   1HB   PRO   1           HBS      PRO   1  16.029   3.830   3.672
    4   2HB   PRO   1           HBR      PRO   1  14.998   5.104   3.592
    5   1HG   PRO   1           HGR      PRO   1  16.503   4.281   5.742
    6   2HG   PRO   1           HGS      PRO   1  15.523   5.626   5.630
    7   1HD   PRO   1           HDS      PRO   1  15.014   3.447   7.125
    8   2HD   PRO   1           HDR      PRO   1  13.920   4.631   6.752
    9    H    LYS   2           HN       LYS   2  12.813   1.120   4.207
   10    HA   LYS   2           HA       LYS   2  14.039   0.101   1.693
   11   1HB   LYS   2           HBS      LYS   2  13.137  -1.779   3.865
   12   2HB   LYS   2           HBR      LYS   2  14.213  -2.074   2.469
   13   1HG   LYS   2           HGS      LYS   2  16.032  -1.617   3.688
   14   2HG   LYS   2           HGR      LYS   2  15.343  -0.061   4.235
   15   1HD   LYS   2           HDS      LYS   2  15.000  -2.812   5.452
   16   2HD   LYS   2           HDR      LYS   2  15.904  -1.470   6.098
   17   1HE   LYS   2           HES      LYS   2  14.138  -0.717   7.172
   18   2HE   LYS   2           HER      LYS   2  13.258  -0.565   5.626
   19   1HZ   LYS   2           HZC      LYS   2  13.456  -3.045   7.190
   20   2HZ   LYS   2           HZA      LYS   2  12.175  -2.031   7.218
   21   3HZ   LYS   2           HZB      LYS   2  12.566  -2.814   5.840
   22    H    CYS   3           HN       CYS   3  12.657  -0.960   0.333
   23    HA   CYS   3           HA       CYS   3  10.092   0.175   0.428
   24   1HB   CYS   3           HBS      CYS   3  11.587  -0.116  -1.547
   25   2HB   CYS   3           HBR      CYS   3  11.155  -1.849  -1.547
   26    HA   PRO   4           HA       PRO   4   7.795  -3.241   2.176
   27   1HB   PRO   4           HBR      PRO   4   5.474  -1.857   1.928
   28   2HB   PRO   4           HBS      PRO   4   6.347  -2.028   3.308
   29   1HG   PRO   4           HGS      PRO   4   5.970   0.256   1.940
   30   2HG   PRO   4           HGR      PRO   4   7.007   0.042   3.231
   31   1HD   PRO   4           HDS      PRO   4   7.616   0.112   0.470
   32   2HD   PRO   4           HDR      PRO   4   8.609   0.452   1.751
   33    H    LYS   5           HN       LYS   5   7.732  -1.824  -0.817
   34    HA   LYS   5           HA       LYS   5   5.471  -3.390  -1.871
   35   1HB   LYS   5           HBR      LYS   5   6.471  -0.956  -2.569
   36   2HB   LYS   5           HBS      LYS   5   7.300  -2.015  -3.745
   37   1HG   LYS   5           HGS      LYS   5   4.294  -1.844  -3.303
   38   2HG   LYS   5           HGR      LYS   5   5.199  -1.117  -4.662
   39   1HD   LYS   5           HDS      LYS   5   4.730  -2.999  -5.752
   40   2HD   LYS   5           HDR      LYS   5   6.001  -3.703  -4.790
   41   1HE   LYS   5           HER      LYS   5   4.288  -5.200  -4.526
   42   2HE   LYS   5           HES      LYS   5   4.178  -4.206  -3.045
   43   1HZ   LYS   5           HZC      LYS   5   2.640  -3.308  -5.308
   44   2HZ   LYS   5           HZA      LYS   5   2.132  -4.697  -4.616
   45   3HZ   LYS   5           HZB      LYS   5   2.251  -3.337  -3.721
   46    H    CYS   6           HN       CYS   6   8.814  -2.890  -3.051
   47    HA   CYS   6           HA       CYS   6   8.582  -5.512  -4.321
   48   1HB   CYS   6           HBS      CYS   6  10.469  -4.822  -5.681
   49   2HB   CYS   6           HBR      CYS   6   9.131  -3.642  -5.704
   50    H    ASP   7           HN       ASP   7  10.080  -4.198  -1.564
   51    HA   ASP   7           HA       ASP   7  11.591  -4.965  -0.069
   52   1HB   ASP   7           HBR      ASP   7  10.591  -7.351  -1.278
   53   2HB   ASP   7           HBS      ASP   7  12.336  -7.533  -0.944
   54    H    LYS   8           HN       LYS   8  12.558  -3.244  -1.688
   55    HA   LYS   8           HA       LYS   8  15.356  -4.246  -1.855
   56   1HB   LYS   8           HBR      LYS   8  14.050  -3.006  -3.957
   57   2HB   LYS   8           HBS      LYS   8  14.882  -1.652  -3.139
   58   1HG   LYS   8           HGR      LYS   8  16.981  -2.454  -3.641
   59   2HG   LYS   8           HGS      LYS   8  16.440  -4.155  -3.697
   60   1HD   LYS   8           HDR      LYS   8  15.676  -4.024  -5.823
   61   2HD   LYS   8           HDS      LYS   8  15.386  -2.306  -5.772
   62   1HE   LYS   8           HES      LYS   8  17.893  -1.986  -5.737
   63   2HE   LYS   8           HER      LYS   8  18.023  -3.746  -6.013
   64   1HZ   LYS   8           HZC      LYS   8  16.495  -1.971  -7.778
   65   2HZ   LYS   8           HZA      LYS   8  18.072  -2.313  -8.027
   66   3HZ   LYS   8           HZB      LYS   8  16.962  -3.510  -8.063
   67    H    GLU   9           HN       GLU   9  16.663  -1.885  -1.748
   68    HA   GLU   9           HA       GLU   9  15.503  -0.367   0.553
   69   1HB   GLU   9           HBS      GLU   9  18.253   0.086  -0.343
   70   2HB   GLU   9           HBR      GLU   9  17.624   0.281   1.196
   71   1HG   GLU   9           HGR      GLU   9  19.072  -1.634   1.469
   72   2HG   GLU   9           HGS      GLU   9  17.461  -2.353   1.202
   73    H    VAL  10           HN       VAL  10  15.595   1.918   0.365
   74    HA   VAL  10           HA       VAL  10  15.041   2.570  -2.463
   75    HB   VAL  10           HB       VAL  10  13.760   3.330   0.158
   76   1HG1  VAL  10           HMG      VAL  10  13.963   5.296  -1.573
   77   2HG1  VAL  10           HMG      VAL  10  12.653   4.422  -2.403
   78   3HG1  VAL  10           HMG      VAL  10  12.431   4.974  -0.725
   79   1HG2  VAL  10           HMG      VAL  10  13.329   1.224  -1.498
   80   2HG2  VAL  10           HMG      VAL  10  12.134   1.915  -0.377
   81   3HG2  VAL  10           HMG      VAL  10  12.120   2.397  -2.088
   82    H    TYR  11           HN       TYR  11  16.185   3.988  -3.485
   83    HA   TYR  11           HA       TYR  11  18.255   5.512  -2.016
   84   1HB   TYR  11           HBR      TYR  11  17.988   4.395  -4.704
   85   2HB   TYR  11           HBS      TYR  11  18.441   6.124  -4.733
   86    HD1  TYR  11           HD1      TYR  11  19.422   2.971  -2.907
   87    HD2  TYR  11           HD2      TYR  11  20.694   6.598  -4.728
   88    HE1  TYR  11           HE1      TYR  11  21.758   2.401  -2.398
   89    HE2  TYR  11           HE2      TYR  11  23.029   6.050  -4.210
   90    HH   TYR  11           HH       TYR  11  23.891   2.874  -2.875
   91    H    PHE  12           HN       PHE  12  18.464   7.763  -2.319
   92    HA   PHE  12           HA       PHE  12  16.189   8.824  -1.319
   93   1HB   PHE  12           HBS      PHE  12  17.309  11.174  -1.931
   94   2HB   PHE  12           HBR      PHE  12  17.964  10.101  -0.660
   95    HD1  PHE  12           HD1      PHE  12  19.901   8.812  -1.002
   96    HD2  PHE  12           HD2      PHE  12  18.629  11.575  -3.985
   97    HE1  PHE  12           HE1      PHE  12  22.135   8.717  -2.011
   98    HE2  PHE  12           HE2      PHE  12  20.875  11.505  -5.017
   99    HZ   PHE  12           HZ       PHE  12  22.645  10.114  -3.981
  100    H    ALA  13           HN       ALA  13  17.499   9.887  -4.490
  101    HA   ALA  13           HA       ALA  13  15.296  11.361  -5.051
  102   1HB   ALA  13           HMB      ALA  13  17.339  10.146  -6.945
  103   2HB   ALA  13           HMB      ALA  13  16.256  11.496  -7.371
  104   3HB   ALA  13           HMB      ALA  13  17.472  11.701  -6.085
  105    H    GLU  14           HN       GLU  14  15.364   8.043  -5.209
  106    HA   GLU  14           HA       GLU  14  12.960   8.011  -6.970
  107   1HB   GLU  14           HBR      GLU  14  14.145   5.543  -5.822
  108   2HB   GLU  14           HBS      GLU  14  13.351   5.826  -7.271
  109   1HG   GLU  14           HGR      GLU  14  15.382   5.734  -8.326
  110   2HG   GLU  14           HGS      GLU  14  15.473   7.414  -7.733
  111    H    ARG  15           HN       ARG  15  13.204   8.984  -4.090
  112    HA   ARG  15           HA       ARG  15  11.850   6.894  -2.563
  113   1HB   ARG  15           HBR      ARG  15  12.134   8.241  -0.645
  114   2HB   ARG  15           HBS      ARG  15  13.644   8.356  -1.589
  115   1HG   ARG  15           HGS      ARG  15  13.522  10.562  -1.413
  116   2HG   ARG  15           HGR      ARG  15  12.046  10.530  -2.420
  117   1HD   ARG  15           HDR      ARG  15  10.721  10.948  -0.691
  118   2HD   ARG  15           HDS      ARG  15  11.575   9.784   0.360
  119    HE   ARG  15           HE       ARG  15  11.909  12.627   0.328
  120   1HH1  ARG  15           HH1      ARG  15  13.544   9.573   0.985
  121   2HH1  ARG  15           HH1      ARG  15  14.832  10.327   1.864
  122   1HH2  ARG  15           HH2      ARG  15  13.676  13.589   1.371
  123   2HH2  ARG  15           HH2      ARG  15  14.908  12.599   2.081
  124    H    VAL  16           HN       VAL  16   9.852   6.950  -1.670
  125    HA   VAL  16           HA       VAL  16   8.488   9.472  -1.509
  126    HB   VAL  16           HB       VAL  16   6.354   8.851  -2.373
  127   1HG1  VAL  16           HMG      VAL  16   7.965   9.837  -3.957
  128   2HG1  VAL  16           HMG      VAL  16   8.426   8.201  -4.485
  129   3HG1  VAL  16           HMG      VAL  16   6.767   8.788  -4.751
  130   1HG2  VAL  16           HMG      VAL  16   7.578   6.143  -2.826
  131   2HG2  VAL  16           HMG      VAL  16   6.057   6.583  -2.013
  132   3HG2  VAL  16           HMG      VAL  16   6.185   6.698  -3.785
  133    H    THR  17           HN       THR  17   7.801   9.668   0.478
  134    HA   THR  17           HA       THR  17   7.973   7.226   2.177
  135    HB   THR  17           HB       THR  17   8.389  10.163   2.982
  136    HG1  THR  17           HG1      THR  17   9.884   9.709   2.008
  137   1HG2  THR  17           HMG      THR  17   7.492   8.274   4.674
  138   2HG2  THR  17           HMG      THR  17   9.245   7.962   4.775
  139   3HG2  THR  17           HMG      THR  17   8.603   9.581   5.155
  140    H    SER  18           HN       SER  18   6.372   6.730   3.560
  141    HA   SER  18           HA       SER  18   3.998   8.287   4.036
  142   1HB   SER  18           HBR      SER  18   3.761   7.947   1.603
  143   2HB   SER  18           HBS      SER  18   3.835   6.182   1.864
  144    HG   SER  18           HG       SER  18   1.886   6.067   2.420
  145    H    LEU  19           HN       LEU  19   2.630   7.291   5.430
  146    HA   LEU  19           HA       LEU  19   2.249   6.065   7.321
  147   1HB   LEU  19           HBR      LEU  19   3.010   4.003   5.251
  148   2HB   LEU  19           HBS      LEU  19   2.490   3.549   6.899
  149    HG   LEU  19           HG       LEU  19   0.309   4.390   6.547
  150   1HD1  LEU  19           HMD      LEU  19   1.587   5.793   4.240
  151   2HD1  LEU  19           HMD      LEU  19  -0.112   5.281   4.073
  152   3HD1  LEU  19           HMD      LEU  19   0.365   6.369   5.401
  153   1HD2  LEU  19           HMD      LEU  19   1.467   2.354   5.057
  154   2HD2  LEU  19           HMD      LEU  19  -0.277   2.632   5.292
  155   3HD2  LEU  19           HMD      LEU  19   0.542   3.285   3.851
  156    H    GLY  20           HN       GLY  20   5.066   7.069   6.617
  157   1HA   GLY  20           HAS      GLY  20   6.566   7.499   8.352
  158   2HA   GLY  20           HAR      GLY  20   6.177   5.918   9.084
  159    H    LYS  21           HN       LYS  21   6.492   4.832   6.179
  160    HA   LYS  21           HA       LYS  21   9.449   4.564   6.301
  161   1HB   LYS  21           HBR      LYS  21   9.260   2.203   5.647
  162   2HB   LYS  21           HBS      LYS  21   8.604   2.517   7.279
  163   1HG   LYS  21           HGR      LYS  21   6.321   2.732   5.899
  164   2HG   LYS  21           HGS      LYS  21   7.205   1.666   4.770
  165   1HD   LYS  21           HDR      LYS  21   6.846   1.111   7.703
  166   2HD   LYS  21           HDS      LYS  21   5.752   0.524   6.478
  167   1HE   LYS  21           HER      LYS  21   7.140  -1.114   5.865
  168   2HE   LYS  21           HES      LYS  21   8.575  -0.052   5.909
  169   1HZ   LYS  21           HZB      LYS  21   7.778  -0.395   8.500
  170   2HZ   LYS  21           HZC      LYS  21   7.679  -1.884   7.833
  171   3HZ   LYS  21           HZA      LYS  21   9.086  -1.056   7.778
  172    H    ASP  22           HN       ASP  22  10.422   4.193   4.298
  173    HA   ASP  22           HA       ASP  22   9.022   5.774   2.350
  174   1HB   ASP  22           HBS      ASP  22  11.822   4.740   2.048
  175   2HB   ASP  22           HBR      ASP  22  11.086   6.237   1.401
  176    H    TRP  23           HN       TRP  23   9.311   5.354  -0.009
  177    HA   TRP  23           HA       TRP  23   9.408   2.473  -0.735
  178   1HB   TRP  23           HBR      TRP  23   7.359   4.513  -1.621
  179   2HB   TRP  23           HBS      TRP  23   7.408   2.772  -2.049
  180    HD1  TRP  23           HD1      TRP  23   6.799   5.119   0.963
  181    HE1  TRP  23           HE1      TRP  23   4.970   4.069   2.434
  182    HE3  TRP  23           HE3      TRP  23   6.239   0.738  -1.559
  183    HZ2  TRP  23           HZ2      TRP  23   3.413   1.736   2.417
  184    HZ3  TRP  23           HZ3      TRP  23   4.573  -0.873  -0.758
  185    HH2  TRP  23           HH2      TRP  23   3.140  -0.366   1.150
  186    H    HIS  24           HN       ZHI  24   9.295   2.331  -3.239
  187    HA   HIS  24           HA       ZHI  24  11.177   4.233  -4.398
  188   1HB   HIS  24           HBS      ZHI  24   9.876   1.750  -5.606
  189   2HB   HIS  24           HBR      ZHI  24  11.109   2.769  -6.406
  190    HD2  HIS  24           HD2      ZHI  24  13.318   3.087  -4.187
  191    HE1  HIS  24           HE1      ZHI  24  12.802  -0.879  -2.968
  192    HE2  HIS  24           HE2      ZHI  24  14.460   1.010  -3.146
  193    H    ARG  25           HN       ARG  25  10.868   5.469  -6.221
  194    HA   ARG  25           HA       ARG  25   8.539   6.980  -6.114
  195   1HB   ARG  25           HBR      ARG  25  10.667   7.840  -6.988
  196   2HB   ARG  25           HBS      ARG  25  10.505   6.791  -8.425
  197   1HG   ARG  25           HGS      ARG  25   9.907   9.123  -8.908
  198   2HG   ARG  25           HGR      ARG  25   8.519   8.018  -9.128
  199   1HD   ARG  25           HDR      ARG  25   7.521   9.697  -7.975
  200   2HD   ARG  25           HDS      ARG  25   8.049   8.651  -6.626
  201    HE   ARG  25           HE       ARG  25   9.501  10.316  -5.953
  202   1HH1  ARG  25           HH1      ARG  25   8.191  11.129  -9.124
  203   2HH1  ARG  25           HH1      ARG  25   9.039  12.637  -9.208
  204   1HH2  ARG  25           HH2      ARG  25  10.688  12.236  -6.153
  205   2HH2  ARG  25           HH2      ARG  25  10.452  13.264  -7.527
  206    HA   PRO  26           HA       PRO  26   7.087   4.557 -10.019
  207   1HB   PRO  26           HBR      PRO  26   8.288   2.173 -10.355
  208   2HB   PRO  26           HBS      PRO  26   8.549   3.504 -11.280
  209   1HG   PRO  26           HGS      PRO  26  10.205   2.403  -9.326
  210   2HG   PRO  26           HGR      PRO  26  10.611   3.444 -10.564
  211   1HD   PRO  26           HDS      PRO  26  10.386   4.140  -7.986
  212   2HD   PRO  26           HDR      PRO  26  10.411   5.197  -9.257
  213    H    CYS  27           HN       CYS  27   8.061   2.708  -7.287
  214    HA   CYS  27           HA       CYS  27   6.336   0.566  -7.680
  215   1HB   CYS  27           HBS      CYS  27   7.851   1.658  -5.360
  216   2HB   CYS  27           HBR      CYS  27   6.576   0.449  -5.030
  217    H    LEU  28           HN       LEU  28   5.839   3.423  -5.586
  218    HA   LEU  28           HA       LEU  28   3.637   2.397  -4.245
  219   1HB   LEU  28           HBS      LEU  28   5.208   4.345  -3.744
  220   2HB   LEU  28           HBR      LEU  28   4.121   5.336  -4.760
  221    HG   LEU  28           HG       LEU  28   2.340   4.246  -3.028
  222   1HD1  LEU  28           HMD      LEU  28   4.981   3.953  -1.832
  223   2HD1  LEU  28           HMD      LEU  28   3.925   5.014  -0.866
  224   3HD1  LEU  28           HMD      LEU  28   3.397   3.361  -1.269
  225   1HD2  LEU  28           HMD      LEU  28   3.489   6.724  -3.670
  226   2HD2  LEU  28           HMD      LEU  28   2.008   6.432  -2.723
  227   3HD2  LEU  28           HMD      LEU  28   3.574   6.614  -1.893
  228    H    LYS  29           HN       LYS  29   2.168   1.449  -5.608
  229    HA   LYS  29           HA       LYS  29   0.338   3.255  -7.074
  230   1HB   LYS  29           HBR      LYS  29   1.806   0.916  -8.339
  231   2HB   LYS  29           HBS      LYS  29   0.477   1.854  -9.082
  232   1HG   LYS  29           HGS      LYS  29   2.178   3.873  -8.511
  233   2HG   LYS  29           HGR      LYS  29   3.358   2.546  -8.720
  234   1HD   LYS  29           HDS      LYS  29   1.236   3.418 -10.703
  235   2HD   LYS  29           HDR      LYS  29   2.916   3.881 -10.745
  236   1HE   LYS  29           HER      LYS  29   3.068   2.182 -12.177
  237   2HE   LYS  29           HES      LYS  29   3.259   1.231 -10.676
  238   1HZ   LYS  29           HZB      LYS  29   0.610   1.710 -11.812
  239   2HZ   LYS  29           HZC      LYS  29   1.548   0.503 -12.387
  240   3HZ   LYS  29           HZA      LYS  29   1.100   0.511 -10.817
  241    H    CYS  30           HN       CYS  30  -1.691   2.450  -7.331
  242    HA   CYS  30           HA       CYS  30  -2.662   0.355  -5.705
  243   1HB   CYS  30           HBS      CYS  30  -3.946   2.276  -6.762
  244   2HB   CYS  30           HBR      CYS  30  -3.998   1.272  -8.241
  245    H    GLU  31           HN       GLU  31  -2.370  -1.720  -5.838
  246    HA   GLU  31           HA       GLU  31  -1.826  -3.015  -8.412
  247   1HB   GLU  31           HBR      GLU  31  -1.150  -3.350  -5.715
  248   2HB   GLU  31           HBS      GLU  31  -2.257  -4.577  -6.006
  249   1HG   GLU  31           HGR      GLU  31   0.258  -5.196  -6.450
  250   2HG   GLU  31           HGS      GLU  31  -1.044  -5.726  -7.547
  251    H    LYS  32           HN       LYS  32  -4.536  -1.842  -7.540
  252    HA   LYS  32           HA       LYS  32  -6.101  -4.239  -8.378
  253   1HB   LYS  32           HBR      LYS  32  -6.741  -2.009  -6.569
  254   2HB   LYS  32           HBS      LYS  32  -7.961  -2.286  -7.844
  255   1HG   LYS  32           HGS      LYS  32  -6.967  -4.269  -5.764
  256   2HG   LYS  32           HGR      LYS  32  -8.598  -3.552  -5.897
  257   1HD   LYS  32           HDR      LYS  32  -9.097  -5.450  -6.921
  258   2HD   LYS  32           HDS      LYS  32  -8.387  -4.700  -8.324
  259   1HE   LYS  32           HES      LYS  32  -6.231  -5.851  -6.951
  260   2HE   LYS  32           HER      LYS  32  -7.571  -7.025  -6.825
  261   1HZ   LYS  32           HZC      LYS  32  -6.805  -5.798  -9.373
  262   2HZ   LYS  32           HZA      LYS  32  -6.115  -7.177  -8.834
  263   3HZ   LYS  32           HZB      LYS  32  -7.722  -7.127  -9.126
  264    H    CYS  33           HN       CYS  33  -6.231  -0.664  -8.688
  265    HA   CYS  33           HA       CYS  33  -7.315  -1.096 -11.356
  266   1HB   CYS  33           HBS      CYS  33  -8.136   1.144 -11.237
  267   2HB   CYS  33           HBR      CYS  33  -8.515   0.244  -9.743
  268    H    GLY  34           HN       GLY  34  -4.301  -0.242 -10.037
  269   1HA   GLY  34           HAR      GLY  34  -2.314   0.404 -11.015
  270   2HA   GLY  34           HAS      GLY  34  -3.125   0.310 -12.600
  271    H    LYS  35           HN       LYS  35  -3.872   2.292  -9.719
  272    HA   LYS  35           HA       LYS  35  -3.298   4.755 -11.298
  273   1HB   LYS  35           HBS      LYS  35  -5.540   4.728 -10.297
  274   2HB   LYS  35           HBR      LYS  35  -4.817   4.446  -8.686
  275   1HG   LYS  35           HGS      LYS  35  -5.511   6.827  -9.140
  276   2HG   LYS  35           HGR      LYS  35  -3.797   6.618  -8.677
  277   1HD   LYS  35           HDS      LYS  35  -3.131   6.833 -10.999
  278   2HD   LYS  35           HDR      LYS  35  -4.794   6.826 -11.516
  279   1HE   LYS  35           HES      LYS  35  -4.394   9.055 -11.607
  280   2HE   LYS  35           HER      LYS  35  -5.004   8.901  -9.934
  281   1HZ   LYS  35           HZB      LYS  35  -2.660   8.719  -9.259
  282   2HZ   LYS  35           HZC      LYS  35  -2.198   9.076 -10.784
  283   3HZ   LYS  35           HZA      LYS  35  -3.036  10.170  -9.908
  284    H    THR  36           HN       THR  36  -1.440   5.694 -10.906
  285    HA   THR  36           HA       THR  36   0.429   4.770  -8.919
  286    HB   THR  36           HB       THR  36   0.422   7.327 -10.621
  287    HG1  THR  36           HG1      THR  36   0.575   6.030 -11.870
  288   1HG2  THR  36           HMG      THR  36   2.638   6.081  -8.977
  289   2HG2  THR  36           HMG      THR  36   2.882   7.336 -10.219
  290   3HG2  THR  36           HMG      THR  36   1.907   7.693  -8.770
  291    H    LEU  37           HN       LEU  37   0.909   5.549  -6.958
  292    HA   LEU  37           HA       LEU  37  -1.250   7.193  -5.737
  293   1HB   LEU  37           HBS      LEU  37   0.744   5.351  -4.394
  294   2HB   LEU  37           HBR      LEU  37  -0.721   6.091  -3.688
  295    HG   LEU  37           HG       LEU  37  -0.791   4.058  -5.925
  296   1HD1  LEU  37           HMD      LEU  37  -0.600   3.751  -2.955
  297   2HD1  LEU  37           HMD      LEU  37  -1.699   2.672  -3.851
  298   3HD1  LEU  37           HMD      LEU  37   0.035   2.716  -4.258
  299   1HD2  LEU  37           HMD      LEU  37  -2.751   5.489  -4.157
  300   2HD2  LEU  37           HMD      LEU  37  -2.812   5.178  -5.911
  301   3HD2  LEU  37           HMD      LEU  37  -3.137   3.857  -4.760
  302    H    THR  38           HN       THR  38  -0.780   9.224  -5.464
  303    HA   THR  38           HA       THR  38   1.822  10.393  -5.326
  304    HB   THR  38           HB       THR  38  -0.381  11.627  -5.803
  305    HG1  THR  38           HG1      THR  38   1.024  12.750  -5.682
  306   1HG2  THR  38           HMG      THR  38  -0.909  10.895  -3.036
  307   2HG2  THR  38           HMG      THR  38  -0.987  12.655  -3.296
  308   3HG2  THR  38           HMG      THR  38  -2.001  11.564  -4.275
  309    H    SER  39           HN       SER  39   1.874  11.933  -3.104
  310    HA   SER  39           HA       SER  39   2.267  10.024  -0.870
  311   1HB   SER  39           HBR      SER  39   3.014  12.302   0.241
  312   2HB   SER  39           HBS      SER  39   4.105  11.348  -0.804
  313    HG   SER  39           HG       SER  39   4.368  13.344  -1.509
  314    H    GLY  40           HN       GLY  40  -0.059   9.644  -0.888
  315   1HA   GLY  40           HAR      GLY  40  -1.437  10.453   1.168
  316   2HA   GLY  40           HAS      GLY  40  -1.772  11.856   0.119
  317    H    GLY  41           HN       GLY  41  -3.758  10.143   1.118
  318   1HA   GLY  41           HAR      GLY  41  -5.688   9.164   0.449
  319   2HA   GLY  41           HAS      GLY  41  -5.213   9.815  -1.141
  320    H    HIS  42           HN       HIS  42  -2.852   7.644  -0.212
  321    HA   HIS  42           HA       HIS  42  -4.265   5.320  -1.362
  322   1HB   HIS  42           HBS      HIS  42  -2.180   4.362  -1.862
  323   2HB   HIS  42           HBR      HIS  42  -2.032   6.095  -2.269
  324    HD1  HIS  42           HD1      HIS  42  -0.767   3.535   0.264
  325    HD2  HIS  42           HD2      HIS  42  -0.140   7.491  -0.867
  326    HE1  HIS  42           HE1      HIS  42   1.387   4.244   1.332
  327    HE2  HIS  42           HE2      HIS  42   1.884   6.560   0.461
  328    H    ALA  43           HN       ALA  43  -2.784   3.264  -0.397
  329    HA   ALA  43           HA       ALA  43  -2.982   3.077   2.517
  330   1HB   ALA  43           HMB      ALA  43  -5.220   2.339   0.687
  331   2HB   ALA  43           HMB      ALA  43  -4.845   1.253   2.049
  332   3HB   ALA  43           HMB      ALA  43  -5.248   2.961   2.356
  333    H    GLU  44           HN       GLU  44  -2.621   0.880   3.253
  334    HA   GLU  44           HA       GLU  44  -0.863  -0.605   1.346
  335   1HB   GLU  44           HBS      GLU  44  -0.005   1.224   2.933
  336   2HB   GLU  44           HBR      GLU  44  -0.222   0.143   4.197
  337   1HG   GLU  44           HGR      GLU  44   1.242  -1.302   2.151
  338   2HG   GLU  44           HGS      GLU  44   1.869   0.368   2.192
  339    H    HIS  45           HN       HIS  45  -1.561  -2.614   1.242
  340    HA   HIS  45           HA       HIS  45  -2.185  -4.011   3.794
  341   1HB   HIS  45           HBS      HIS  45  -4.133  -3.818   2.250
  342   2HB   HIS  45           HBR      HIS  45  -3.194  -4.675   0.991
  343    HD1  HIS  45           HD1      HIS  45  -4.539  -5.345   4.540
  344    HD2  HIS  45           HD2      HIS  45  -3.112  -7.370   1.194
  345    HE1  HIS  45           HE1      HIS  45  -4.851  -7.787   5.008
  346    HE2  HIS  45           HE2      HIS  45  -4.028  -9.018   2.968
  347    H    GLU  46           HN       GLU  46  -0.465  -5.104   4.398
  348    HA   GLU  46           HA       GLU  46   1.484  -6.312   4.378
  349   1HB   GLU  46           HBS      GLU  46  -0.372  -7.733   3.294
  350   2HB   GLU  46           HBR      GLU  46   0.422  -7.526   1.831
  351   1HG   GLU  46           HGR      GLU  46   2.359  -8.833   2.606
  352   2HG   GLU  46           HGS      GLU  46   1.921  -8.432   4.288
  353    H    GLY  47           HN       GLY  47   1.660  -3.769   3.318
  354   1HA   GLY  47           HAR      GLY  47   3.282  -2.466   2.326
  355   2HA   GLY  47           HAS      GLY  47   4.257  -3.952   2.165
  356    H    LYS  48           HN       LYS  48   1.090  -4.055   0.805
  357    HA   LYS  48           HA       LYS  48   2.134  -3.422  -1.919
  358   1HB   LYS  48           HBR      LYS  48  -0.448  -4.878  -1.465
  359   2HB   LYS  48           HBS      LYS  48   0.655  -4.907  -2.869
  360   1HG   LYS  48           HGS      LYS  48   1.737  -6.020  -0.329
  361   2HG   LYS  48           HGR      LYS  48   0.415  -6.943  -1.098
  362   1HD   LYS  48           HDR      LYS  48   1.690  -7.008  -3.169
  363   2HD   LYS  48           HDS      LYS  48   2.965  -6.048  -2.470
  364   1HE   LYS  48           HES      LYS  48   2.097  -8.780  -1.494
  365   2HE   LYS  48           HER      LYS  48   3.476  -8.451  -2.582
  366   1HZ   LYS  48           HZB      LYS  48   3.536  -6.894  -0.215
  367   2HZ   LYS  48           HZC      LYS  48   3.564  -8.494   0.109
  368   3HZ   LYS  48           HZA      LYS  48   4.697  -7.840  -0.868
  369    HA   PRO  49           HA       PRO  49  -0.304   0.121  -0.847
  370   1HB   PRO  49           HBR      PRO  49   0.619   1.635  -2.864
  371   2HB   PRO  49           HBS      PRO  49   1.253   1.591  -1.351
  372   1HG   PRO  49           HGS      PRO  49   2.273   0.461  -3.689
  373   2HG   PRO  49           HGR      PRO  49   3.081   0.838  -2.279
  374   1HD   PRO  49           HDS      PRO  49   2.395  -1.639  -3.042
  375   2HD   PRO  49           HDR      PRO  49   2.848  -1.207  -1.512
  376    H    TYR  50           HN       TYR  50  -1.973   1.474  -1.646
  377    HA   TYR  50           HA       TYR  50  -3.346   0.532  -4.055
  378   1HB   TYR  50           HBR      TYR  50  -4.234  -0.230  -1.262
  379   2HB   TYR  50           HBS      TYR  50  -5.382  -0.085  -2.624
  380    HD1  TYR  50           HD1      TYR  50  -5.065  -1.617  -4.633
  381    HD2  TYR  50           HD2      TYR  50  -3.078  -2.223  -0.924
  382    HE1  TYR  50           HE1      TYR  50  -4.558  -3.930  -5.291
  383    HE2  TYR  50           HE2      TYR  50  -2.614  -4.551  -1.543
  384    HH   TYR  50           HH       TYR  50  -2.224  -5.813  -3.418
  385    H    CYS  51           HN       CYS  51  -5.381   1.684  -4.369
  386    HA   CYS  51           HA       CYS  51  -5.799   4.272  -3.418
  387   1HB   CYS  51           HBS      CYS  51  -7.872   2.171  -4.093
  388   2HB   CYS  51           HBR      CYS  51  -8.222   3.896  -3.802
  389    H    ASN  52           HN       ASN  52  -6.247   5.164  -1.572
  390    HA   ASN  52           HA       ASN  52  -7.116   3.776   0.794
  391   1HB   ASN  52           HBS      ASN  52  -5.962   6.051   0.643
  392   2HB   ASN  52           HBR      ASN  52  -7.584   6.695   0.265
  393   1HD2  ASN  52           HD2      ASN  52  -7.775   7.234   3.744
  394   2HD2  ASN  52           HD2      ASN  52  -7.383   7.959   2.221
  395    H    HIS  53           HN       HIS  53  -8.685   5.278  -1.970
  396    HA   HIS  53           HA       HIS  53 -10.827   3.351  -1.645
  397   1HB   HIS  53           HBS      HIS  53 -11.453   6.327  -1.519
  398   2HB   HIS  53           HBR      HIS  53 -12.619   5.122  -2.133
  399    HD1  HIS  53           HD1      HIS  53 -14.107   4.078  -0.367
  400    HD2  HIS  53           HD2      HIS  53 -10.718   5.895   1.234
  401    HE1  HIS  53           HE1      HIS  53 -14.426   4.104   2.118
  402    HE2  HIS  53           HE2      HIS  53 -12.379   5.205   3.093
  403    HA   PRO  54           HA       PRO  54 -12.712   3.230  -2.496
  404   1HB   PRO  54           HBS      PRO  54 -13.854   1.669  -4.349
  405   2HB   PRO  54           HBR      PRO  54 -14.442   3.123  -3.861
  406   1HG   PRO  54           HGS      PRO  54 -13.321   2.463  -6.286
  407   2HG   PRO  54           HGR      PRO  54 -14.030   3.911  -5.860
  408   1HD   PRO  54           HDS      PRO  54 -11.330   3.350  -6.084
  409   2HD   PRO  54           HDR      PRO  54 -12.038   4.814  -5.783
  410    H    CYS  55           HN       CYS  55 -10.252   1.926  -4.274
  411    HA   CYS  55           HA       CYS  55 -10.963  -0.714  -4.397
  412   1HB   CYS  55           HBS      CYS  55  -8.151   0.402  -4.262
  413   2HB   CYS  55           HBR      CYS  55  -8.611  -1.224  -4.842
  414    H    TYR  56           HN       TYR  56  -9.009   0.841  -1.853
  415    HA   TYR  56           HA       TYR  56  -8.557  -1.511  -0.284
  416   1HB   TYR  56           HBR      TYR  56  -7.279   0.574   0.008
  417   2HB   TYR  56           HBS      TYR  56  -8.755   1.396   0.593
  418    HD1  TYR  56           HD2      TYR  56  -7.443  -2.009   1.394
  419    HD2  TYR  56           HD1      TYR  56  -8.291   1.892   2.861
  420    HE1  TYR  56           HE2      TYR  56  -6.841  -2.738   3.659
  421    HE2  TYR  56           HE1      TYR  56  -7.716   1.168   5.137
  422    HH   TYR  56           HH       TYR  56  -5.864  -1.748   5.574
  423    H    SER  57           HN       SER  57 -10.986   1.114  -0.035
  424    HA   SER  57           HA       SER  57 -12.321   0.039   2.177
  425   1HB   SER  57           HBS      SER  57 -12.485   2.379   1.222
  426   2HB   SER  57           HBR      SER  57 -13.675   1.720   0.062
  427    HG   SER  57           HG       SER  57 -15.068   2.170   1.501
  428    H    ALA  58           HN       ALA  58 -12.576  -0.719  -1.222
  429    HA   ALA  58           HA       ALA  58 -15.219  -1.848  -1.068
  430   1HB   ALA  58           HMB      ALA  58 -14.277  -0.810  -3.093
  431   2HB   ALA  58           HMB      ALA  58 -13.097  -2.140  -3.212
  432   3HB   ALA  58           HMB      ALA  58 -14.839  -2.478  -3.373
  433    H    MET  59           HN       MET  59 -11.923  -3.202  -1.319
  434    HA   MET  59           HA       MET  59 -13.048  -5.912  -1.089
  435   1HB   MET  59           HBR      MET  59 -10.176  -5.148  -1.656
  436   2HB   MET  59           HBS      MET  59 -11.000  -6.693  -1.989
  437   1HG   MET  59           HGS      MET  59 -11.949  -4.083  -3.242
  438   2HG   MET  59           HGR      MET  59 -10.618  -5.023  -3.957
  439   1HE   MET  59           HME      MET  59 -11.168  -6.471  -5.848
  440   2HE   MET  59           HME      MET  59 -12.837  -6.813  -6.369
  441   3HE   MET  59           HME      MET  59 -12.303  -5.130  -6.138
  442    H    PHE  60           HN       PHE  60 -10.927  -3.656   0.593
  443    HA   PHE  60           HA       PHE  60 -10.688  -5.634   2.806
  444   1HB   PHE  60           HBR      PHE  60  -8.645  -3.559   1.923
  445   2HB   PHE  60           HBS      PHE  60  -8.661  -4.278   3.558
  446    HD1  PHE  60           HD2      PHE  60  -8.595  -6.957   3.608
  447    HD2  PHE  60           HD1      PHE  60  -7.600  -4.563   0.226
  448    HE1  PHE  60           HE2      PHE  60  -7.279  -8.831   2.676
  449    HE2  PHE  60           HE1      PHE  60  -6.283  -6.405  -0.717
  450    HZ   PHE  60           HZ       PHE  60  -6.072  -8.520   0.534
  451    H    GLY  61           HN       GLY  61 -12.670  -4.898   3.607
  452   1HA   GLY  61           HAS      GLY  61 -12.621  -2.194   4.862
  453   2HA   GLY  61           HAR      GLY  61 -14.011  -2.692   3.857
  454    HA   PRO  62           HA       PRO  62 -14.841  -3.784   8.227
  455   1HB   PRO  62           HBR      PRO  62 -17.455  -2.923   7.832
  456   2HB   PRO  62           HBS      PRO  62 -16.346  -2.332   8.890
  457   1HG   PRO  62           HGS      PRO  62 -17.216  -1.066   6.722
  458   2HG   PRO  62           HGR      PRO  62 -15.850  -0.650   7.588
  459   1HD   PRO  62           HDS      PRO  62 -16.017  -1.939   5.096
  460   2HD   PRO  62           HDR      PRO  62 -14.724  -1.153   5.764
  461    H    LYS  63           HN       LYS  63 -14.374  -5.898   7.486
  462    HA   LYS  63           HA       LYS  63 -16.795  -7.507   7.507
  463   1HB   LYS  63           HBR      LYS  63 -15.162  -7.208   5.023
  464   2HB   LYS  63           HBS      LYS  63 -15.698  -8.850   5.482
  465   1HG   LYS  63           HGR      LYS  63 -17.949  -8.344   5.194
  466   2HG   LYS  63           HGS      LYS  63 -17.691  -6.589   5.412
  467   1HD   LYS  63           HDS      LYS  63 -17.505  -6.263   3.253
  468   2HD   LYS  63           HDR      LYS  63 -16.197  -7.412   3.159
  469   1HE   LYS  63           HES      LYS  63 -18.537  -8.958   3.375
  470   2HE   LYS  63           HER      LYS  63 -18.871  -7.652   2.202
  471   1HZ   LYS  63           HZA      LYS  63 -16.461  -8.438   1.461
  472   2HZ   LYS  63           HZB      LYS  63 -17.051  -9.860   2.005
  473   3HZ   LYS  63           HZC      LYS  63 -17.840  -9.045   0.830
  474    H    GLY  64           HN       GLY  64 -15.909  -8.193   9.458
  475   1HA   GLY  64           HAS      GLY  64 -13.542  -9.995   9.188
  476   2HA   GLY  64           HAR      GLY  64 -13.860  -9.070  10.680
  477    H    PHE  65           HN       PHE  65 -16.128 -10.741   8.482
  478    HA   PHE  65           HA       PHE  65 -16.815 -12.947  10.132
  479   1HB   PHE  65           HBR      PHE  65 -17.721 -10.455  11.218
  480   2HB   PHE  65           HBS      PHE  65 -19.137 -11.309  10.541
  481    HD1  PHE  65           HD2      PHE  65 -16.108 -12.948  12.061
  482    HD2  PHE  65           HD1      PHE  65 -20.235 -11.946  12.416
  483    HE1  PHE  65           HE2      PHE  65 -16.267 -14.346  14.094
  484    HE2  PHE  65           HE1      PHE  65 -20.419 -13.328  14.434
  485    HZ   PHE  65           HZ       PHE  65 -18.424 -14.484  15.309
  486    H    GLY  66           HN       GLY  66 -19.476 -13.162   9.769
  487   1HA   GLY  66           HAR      GLY  66 -21.102 -12.332   8.001
  488   2HA   GLY  66           HAS      GLY  66 -19.878 -12.876   6.821
  489    H    ARG  67           HN       ARG  67 -22.598 -13.732   8.629
  490    HA   ARG  67           HA       ARG  67 -22.794 -16.439   7.733
  491   1HB   ARG  67           HBS      ARG  67 -22.584 -17.278  10.237
  492   2HB   ARG  67           HBR      ARG  67 -21.194 -17.263   9.112
  493   1HG   ARG  67           HGS      ARG  67 -20.373 -15.199  10.102
  494   2HG   ARG  67           HGR      ARG  67 -21.800 -15.118  11.176
  495   1HD   ARG  67           HDS      ARG  67 -20.253 -17.629  11.245
  496   2HD   ARG  67           HDR      ARG  67 -19.427 -16.175  11.874
  497    HE   ARG  67           HE       ARG  67 -22.125 -16.940  12.858
  498   1HH1  ARG  67           HH1      ARG  67 -18.671 -16.571  13.461
  499   2HH1  ARG  67           HH1      ARG  67 -18.874 -16.441  15.176
  500   1HH2  ARG  67           HH2      ARG  67 -22.362 -16.636  15.092
  501   2HH2  ARG  67           HH2      ARG  67 -20.963 -16.479  16.100
  502    H    GLY  68           HN       GLY  68 -24.892 -16.001   7.353
  503   1HA   GLY  68           HAS      GLY  68 -26.725 -16.764   9.242
  504   2HA   GLY  68           HAR      GLY  68 -26.749 -14.983   9.353
  505    H    GLY  69           HN       GLY  69 -28.342 -14.143   8.225
  506   1HA   GLY  69           HAR      GLY  69 -29.795 -13.696   6.449
  507   2HA   GLY  69           HAS      GLY  69 -28.967 -14.935   5.469
  508    H    ALA  70           HN       ALA  70 -31.800 -14.186   6.948
  509    HA   ALA  70           HA       ALA  70 -32.485 -16.399   8.502
  510   1HB   ALA  70           HMB      ALA  70 -34.242 -14.559   6.856
  511   2HB   ALA  70           HMB      ALA  70 -34.827 -15.695   8.097
  512   3HB   ALA  70           HMB      ALA  70 -33.748 -14.353   8.555
  513    H    GLU  71           HN       GLU  71 -33.280 -15.780   5.063
  514    HA   GLU  71           HA       GLU  71 -34.115 -18.635   4.831
  515   1HB   GLU  71           HBS      GLU  71 -34.883 -16.289   3.165
  516   2HB   GLU  71           HBR      GLU  71 -35.642 -17.786   3.144
  517   1HG   GLU  71           HGS      GLU  71 -36.514 -17.409   5.423
  518   2HG   GLU  71           HGR      GLU  71 -35.594 -15.889   5.583
  519    H    SER  72           HN       SER  72 -34.424 -18.437   1.990
  520    HA   SER  72           HA       SER  72 -31.568 -18.914   1.342
  521   1HB   SER  72           HBR      SER  72 -32.517 -20.538  -0.334
  522   2HB   SER  72           HBS      SER  72 -32.751 -20.948   1.390
  523    HG   SER  72           HG       SER  72 -34.561 -21.311  -0.090
  524    H    HIS  73           HN       HIS  73 -31.677 -19.289  -1.323
  525    HA   HIS  73           HA       HIS  73 -31.367 -18.133  -3.263
  526   1HB   HIS  73           HBR      HIS  73 -33.446 -16.080  -2.438
  527   2HB   HIS  73           HBS      HIS  73 -32.906 -16.545  -4.077
  528    HD1  HIS  73           HD1      HIS  73 -35.429 -17.403  -1.463
  529    HD2  HIS  73           HD2      HIS  73 -33.808 -19.161  -4.873
  530    HE1  HIS  73           HE1      HIS  73 -36.871 -19.384  -1.991
  531    HE2  HIS  73           HE2      HIS  73 -35.881 -20.465  -4.040
  532    H    THR  74           HN       THR  74 -29.310 -17.651  -2.396
  533    HA   THR  74           HA       THR  74 -28.851 -14.809  -2.334
  534    HB   THR  74           HB       THR  74 -28.098 -16.432   0.160
  535    HG1  THR  74           HG1      THR  74 -29.158 -15.006   1.109
  536   1HG2  THR  74           HMG      THR  74 -26.532 -14.440  -0.974
  537   2HG2  THR  74           HMG      THR  74 -27.484 -13.588   0.268
  538   3HG2  THR  74           HMG      THR  74 -26.490 -14.996   0.718
  539    H    PHE  75           HN       PHE  75 -26.719 -17.207  -0.878
  540    HA   PHE  75           HA       PHE  75 -25.483 -17.736  -3.510
  541   1HB   PHE  75           HBR      PHE  75 -24.080 -16.429  -1.324
  542   2HB   PHE  75           HBS      PHE  75 -23.381 -18.045  -1.638
  543    HD1  PHE  75           HD2      PHE  75 -22.902 -18.545  -4.248
  544    HD2  PHE  75           HD1      PHE  75 -23.400 -14.687  -2.510
  545    HE1  PHE  75           HE2      PHE  75 -21.752 -17.529  -6.188
  546    HE2  PHE  75           HE1      PHE  75 -22.270 -13.654  -4.425
  547    HZ   PHE  75           HZ       PHE  75 -21.503 -15.064  -6.298
  548    H    LYS  76           HN       LYS  76 -24.578 -18.763  -0.229
  549    HA   LYS  76           HA       LYS  76 -26.391 -20.814   0.091
  550   1HB   LYS  76           HBS      LYS  76 -24.553 -21.612  -1.876
  551   2HB   LYS  76           HBR      LYS  76 -24.030 -22.431  -0.378
  552   1HG   LYS  76           HGR      LYS  76 -26.477 -23.165  -0.123
  553   2HG   LYS  76           HGS      LYS  76 -26.691 -22.636  -1.816
  554   1HD   LYS  76           HDS      LYS  76 -25.802 -24.477  -2.609
  555   2HD   LYS  76           HDR      LYS  76 -24.360 -24.245  -1.660
  556   1HE   LYS  76           HES      LYS  76 -25.715 -26.409  -1.340
  557   2HE   LYS  76           HER      LYS  76 -25.073 -25.542   0.085
  558   1HZ   LYS  76           HZB      LYS  76 -27.753 -24.930  -0.861
  559   2HZ   LYS  76           HZC      LYS  76 -27.519 -26.293   0.007
  560   3HZ   LYS  76           HZA      LYS  76 -27.140 -24.842   0.650
   
  No H/Q in entry =         560
  Start of MODEL   26
    1    H    PRO   1           HN       PRO   1  14.561   2.164   5.766
    2    HA   PRO   1           HA       PRO   1  14.102   3.920   4.312
    3   1HB   PRO   1           HBS      PRO   1  16.404   4.371   2.983
    4   2HB   PRO   1           HBR      PRO   1  15.753   5.367   4.116
    5   1HG   PRO   1           HGR      PRO   1  17.955   3.655   4.347
    6   2HG   PRO   1           HGS      PRO   1  17.536   4.958   5.301
    7   1HD   PRO   1           HDR      PRO   1  17.262   2.383   6.001
    8   2HD   PRO   1           HDS      PRO   1  16.531   3.658   6.760
    9    H    LYS   2           HN       LYS   2  13.995   1.104   4.193
   10    HA   LYS   2           HA       LYS   2  14.639   0.608   1.329
   11   1HB   LYS   2           HBR      LYS   2  14.702  -1.781   1.994
   12   2HB   LYS   2           HBS      LYS   2  15.942  -0.773   2.792
   13   1HG   LYS   2           HGR      LYS   2  13.396  -1.123   4.288
   14   2HG   LYS   2           HGS      LYS   2  14.392  -2.592   4.087
   15   1HD   LYS   2           HDR      LYS   2  15.245   0.025   5.299
   16   2HD   LYS   2           HDS      LYS   2  14.889  -1.441   6.171
   17   1HE   LYS   2           HES      LYS   2  17.215  -0.802   4.377
   18   2HE   LYS   2           HER      LYS   2  17.204  -1.379   6.068
   19   1HZ   LYS   2           HZC      LYS   2  15.948  -3.319   4.676
   20   2HZ   LYS   2           HZA      LYS   2  17.151  -2.874   3.666
   21   3HZ   LYS   2           HZB      LYS   2  17.500  -3.359   5.186
   22    H    CYS   3           HN       CYS   3  13.259  -0.751   0.121
   23    HA   CYS   3           HA       CYS   3  10.622   0.179   0.446
   24   1HB   CYS   3           HBS      CYS   3  11.964   0.006  -1.653
   25   2HB   CYS   3           HBR      CYS   3  11.680  -1.758  -1.616
   26    HA   PRO   4           HA       PRO   4   8.719  -3.422   2.278
   27   1HB   PRO   4           HBR      PRO   4   6.268  -2.238   2.087
   28   2HB   PRO   4           HBS      PRO   4   7.176  -2.385   3.447
   29   1HG   PRO   4           HGS      PRO   4   6.601  -0.093   2.186
   30   2HG   PRO   4           HGR      PRO   4   7.717  -0.276   3.412
   31   1HD   PRO   4           HDS      PRO   4   8.171  -0.064   0.631
   32   2HD   PRO   4           HDR      PRO   4   9.200   0.302   1.874
   33    H    LYS   5           HN       LYS   5   8.132  -1.948  -0.693
   34    HA   LYS   5           HA       LYS   5   6.101  -3.838  -1.605
   35   1HB   LYS   5           HBR      LYS   5   6.952  -1.318  -2.427
   36   2HB   LYS   5           HBS      LYS   5   7.573  -2.422  -3.688
   37   1HG   LYS   5           HGS      LYS   5   4.689  -2.101  -2.777
   38   2HG   LYS   5           HGR      LYS   5   5.387  -1.628  -4.352
   39   1HD   LYS   5           HDR      LYS   5   4.776  -3.589  -5.117
   40   2HD   LYS   5           HDS      LYS   5   6.006  -4.320  -4.124
   41   1HE   LYS   5           HER      LYS   5   3.612  -3.751  -2.596
   42   2HE   LYS   5           HES      LYS   5   3.252  -4.752  -4.031
   43   1HZ   LYS   5           HZA      LYS   5   5.281  -6.056  -3.200
   44   2HZ   LYS   5           HZB      LYS   5   4.969  -5.355  -1.760
   45   3HZ   LYS   5           HZC      LYS   5   3.835  -6.287  -2.477
   46    H    CYS   6           HN       CYS   6   9.375  -3.032  -2.833
   47    HA   CYS   6           HA       CYS   6   9.328  -5.664  -4.172
   48   1HB   CYS   6           HBS      CYS   6  11.012  -4.787  -5.658
   49   2HB   CYS   6           HBR      CYS   6   9.555  -3.761  -5.606
   50    H    ASP   7           HN       ASP   7  10.715  -4.207  -1.465
   51    HA   ASP   7           HA       ASP   7  12.465  -4.600  -0.123
   52   1HB   ASP   7           HBS      ASP   7  13.139  -6.742   0.374
   53   2HB   ASP   7           HBR      ASP   7  11.442  -6.906  -0.161
   54    H    LYS   8           HN       LYS   8  13.067  -2.996  -2.009
   55    HA   LYS   8           HA       LYS   8  15.924  -3.727  -2.463
   56   1HB   LYS   8           HBR      LYS   8  14.282  -2.675  -4.378
   57   2HB   LYS   8           HBS      LYS   8  14.943  -1.194  -3.625
   58   1HG   LYS   8           HGS      LYS   8  17.229  -2.612  -3.918
   59   2HG   LYS   8           HGR      LYS   8  16.289  -3.272  -5.286
   60   1HD   LYS   8           HDR      LYS   8  16.251  -0.342  -4.940
   61   2HD   LYS   8           HDS      LYS   8  17.823  -1.000  -5.303
   62   1HE   LYS   8           HES      LYS   8  15.889  -2.214  -7.039
   63   2HE   LYS   8           HER      LYS   8  15.674  -0.440  -7.045
   64   1HZ   LYS   8           HZA      LYS   8  18.257  -0.566  -7.257
   65   2HZ   LYS   8           HZB      LYS   8  17.930  -2.018  -7.930
   66   3HZ   LYS   8           HZC      LYS   8  17.290  -0.658  -8.570
   67    H    GLU   9           HN       GLU   9  17.001  -1.250  -2.492
   68    HA   GLU   9           HA       GLU   9  16.019   0.141  -0.034
   69   1HB   GLU   9           HBR      GLU   9  18.648   0.887  -1.113
   70   2HB   GLU   9           HBS      GLU   9  18.058   0.827   0.453
   71   1HG   GLU   9           HGR      GLU   9  19.502  -0.952   0.734
   72   2HG   GLU   9           HGS      GLU   9  18.042  -1.788   0.139
   73    H    VAL  10           HN       VAL  10  15.870   2.407  -0.171
   74    HA   VAL  10           HA       VAL  10  15.042   3.104  -2.922
   75    HB   VAL  10           HB       VAL  10  13.941   3.752  -0.189
   76   1HG1  VAL  10           HMG      VAL  10  13.848   5.699  -1.956
   77   2HG1  VAL  10           HMG      VAL  10  12.532   4.719  -2.648
   78   3HG1  VAL  10           HMG      VAL  10  12.428   5.287  -0.964
   79   1HG2  VAL  10           HMG      VAL  10  13.527   1.597  -1.786
   80   2HG2  VAL  10           HMG      VAL  10  12.385   2.210  -0.569
   81   3HG2  VAL  10           HMG      VAL  10  12.186   2.668  -2.276
   82    H    TYR  11           HN       TYR  11  16.040   4.602  -3.981
   83    HA   TYR  11           HA       TYR  11  18.088   6.280  -2.711
   84   1HB   TYR  11           HBR      TYR  11  17.436   5.391  -5.402
   85   2HB   TYR  11           HBS      TYR  11  17.618   7.166  -5.339
   86    HD1  TYR  11           HD1      TYR  11  19.804   8.162  -4.786
   87    HD2  TYR  11           HD2      TYR  11  19.327   3.942  -5.006
   88    HE1  TYR  11           HE1      TYR  11  22.242   7.900  -4.935
   89    HE2  TYR  11           HE2      TYR  11  21.760   3.668  -5.183
   90    HH   TYR  11           HH       TYR  11  23.599   5.397  -6.328
   91    H    PHE  12           HN       PHE  12  18.005   8.554  -2.739
   92    HA   PHE  12           HA       PHE  12  15.823   9.263  -1.300
   93   1HB   PHE  12           HBS      PHE  12  16.625  11.778  -1.853
   94   2HB   PHE  12           HBR      PHE  12  17.505  10.690  -0.742
   95    HD1  PHE  12           HD2      PHE  12  19.591   9.470  -1.656
   96    HD2  PHE  12           HD1      PHE  12  17.605  12.671  -3.647
   97    HE1  PHE  12           HE2      PHE  12  21.621   9.880  -3.009
   98    HE2  PHE  12           HE1      PHE  12  19.603  13.095  -5.006
   99    HZ   PHE  12           HZ       PHE  12  21.609  11.694  -4.699
  100    H    ALA  13           HN       ALA  13  16.536  11.017  -4.344
  101    HA   ALA  13           HA       ALA  13  14.053  12.076  -4.535
  102   1HB   ALA  13           HMB      ALA  13  16.401  11.781  -6.259
  103   2HB   ALA  13           HMB      ALA  13  14.891  11.973  -7.186
  104   3HB   ALA  13           HMB      ALA  13  15.362  13.203  -5.986
  105    H    GLU  14           HN       GLU  14  14.698   8.859  -5.061
  106    HA   GLU  14           HA       GLU  14  12.201   8.513  -6.673
  107   1HB   GLU  14           HBR      GLU  14  13.069   6.187  -6.976
  108   2HB   GLU  14           HBS      GLU  14  13.795   7.442  -7.820
  109   1HG   GLU  14           HGS      GLU  14  15.574   7.624  -6.040
  110   2HG   GLU  14           HGR      GLU  14  15.044   6.034  -5.426
  111    H    ARG  15           HN       ARG  15  12.391   9.291  -3.895
  112    HA   ARG  15           HA       ARG  15  11.416   6.852  -2.557
  113   1HB   ARG  15           HBR      ARG  15  11.699   7.991  -0.502
  114   2HB   ARG  15           HBS      ARG  15  13.143   8.327  -1.495
  115   1HG   ARG  15           HGS      ARG  15  12.851  10.450  -0.867
  116   2HG   ARG  15           HGR      ARG  15  11.529  10.483  -2.068
  117   1HD   ARG  15           HDR      ARG  15   9.923  10.464  -0.505
  118   2HD   ARG  15           HDS      ARG  15  10.849   9.400   0.590
  119    HE   ARG  15           HE       ARG  15  12.240  11.560   0.983
  120   1HH1  ARG  15           HH1      ARG  15   8.739  11.294   0.662
  121   2HH1  ARG  15           HH1      ARG  15   8.443  12.805   1.452
  122   1HH2  ARG  15           HH2      ARG  15  11.820  13.589   1.898
  123   2HH2  ARG  15           HH2      ARG  15  10.185  14.104   2.154
  124    H    VAL  16           HN       VAL  16   9.490   6.720  -1.441
  125    HA   VAL  16           HA       VAL  16   7.891   9.116  -1.168
  126    HB   VAL  16           HB       VAL  16   5.782   8.196  -1.842
  127   1HG1  VAL  16           HMG      VAL  16   7.343   9.298  -3.546
  128   2HG1  VAL  16           HMG      VAL  16   7.590   7.657  -4.194
  129   3HG1  VAL  16           HMG      VAL  16   5.958   8.367  -4.166
  130   1HG2  VAL  16           HMG      VAL  16   7.311   5.693  -2.575
  131   2HG2  VAL  16           HMG      VAL  16   6.014   5.876  -1.369
  132   3HG2  VAL  16           HMG      VAL  16   5.647   6.041  -3.102
  133    H    THR  17           HN       THR  17   6.628   9.095   0.676
  134    HA   THR  17           HA       THR  17   7.659   7.085   2.607
  135    HB   THR  17           HB       THR  17   6.698   9.850   3.435
  136    HG1  THR  17           HG1      THR  17   9.108   9.061   2.461
  137   1HG2  THR  17           HMG      THR  17   8.643   7.830   4.505
  138   2HG2  THR  17           HMG      THR  17   8.792   9.552   4.944
  139   3HG2  THR  17           HMG      THR  17   7.293   8.663   5.316
  140    H    SER  18           HN       SER  18   6.381   6.194   4.140
  141    HA   SER  18           HA       SER  18   3.691   6.705   4.654
  142   1HB   SER  18           HBR      SER  18   3.326   6.284   2.245
  143   2HB   SER  18           HBS      SER  18   3.981   4.634   2.463
  144    HG   SER  18           HG       SER  18   2.155   3.966   3.013
  145    H    LEU  19           HN       LEU  19   2.902   5.362   6.179
  146    HA   LEU  19           HA       LEU  19   3.099   4.014   8.018
  147   1HB   LEU  19           HBR      LEU  19   4.097   2.329   5.719
  148   2HB   LEU  19           HBS      LEU  19   3.908   1.673   7.369
  149    HG   LEU  19           HG       LEU  19   1.993   1.035   6.139
  150   1HD1  LEU  19           HMD      LEU  19   1.352   3.477   7.823
  151   2HD1  LEU  19           HMD      LEU  19   0.169   2.256   7.288
  152   3HD1  LEU  19           HMD      LEU  19   1.490   1.794   8.391
  153   1HD2  LEU  19           HMD      LEU  19   2.417   2.833   4.389
  154   2HD2  LEU  19           HMD      LEU  19   0.712   2.498   4.783
  155   3HD2  LEU  19           HMD      LEU  19   1.515   3.943   5.451
  156    H    GLY  20           HN       GLY  20   5.381   5.821   7.291
  157   1HA   GLY  20           HAR      GLY  20   6.946   6.491   8.892
  158   2HA   GLY  20           HAS      GLY  20   7.001   4.824   9.524
  159    H    LYS  21           HN       LYS  21   7.258   4.054   6.494
  160    HA   LYS  21           HA       LYS  21  10.204   4.436   6.382
  161   1HB   LYS  21           HBR      LYS  21   8.940   1.959   6.899
  162   2HB   LYS  21           HBS      LYS  21   9.439   1.928   5.183
  163   1HG   LYS  21           HGR      LYS  21  11.741   2.435   5.806
  164   2HG   LYS  21           HGS      LYS  21  11.269   2.590   7.522
  165   1HD   LYS  21           HDS      LYS  21  10.965   0.341   7.812
  166   2HD   LYS  21           HDR      LYS  21  10.636   0.055   6.125
  167   1HE   LYS  21           HES      LYS  21  12.694  -0.742   5.967
  168   2HE   LYS  21           HER      LYS  21  13.226   0.960   6.064
  169   1HZ   LYS  21           HZA      LYS  21  12.959   0.411   8.600
  170   2HZ   LYS  21           HZB      LYS  21  13.297  -1.100   8.082
  171   3HZ   LYS  21           HZC      LYS  21  14.347   0.115   7.792
  172    H    ASP  22           HN       ASP  22  11.034   4.004   4.188
  173    HA   ASP  22           HA       ASP  22   9.330   5.536   2.431
  174   1HB   ASP  22           HBS      ASP  22  12.165   4.743   1.846
  175   2HB   ASP  22           HBR      ASP  22  11.249   6.181   1.309
  176    H    TRP  23           HN       TRP  23   9.428   5.163   0.050
  177    HA   TRP  23           HA       TRP  23   9.598   2.299  -0.724
  178   1HB   TRP  23           HBR      TRP  23   7.372   4.235  -1.390
  179   2HB   TRP  23           HBS      TRP  23   7.460   2.492  -1.803
  180    HD1  TRP  23           HD1      TRP  23   7.012   4.858   1.222
  181    HE1  TRP  23           HE1      TRP  23   5.455   3.708   2.916
  182    HE3  TRP  23           HE3      TRP  23   6.449   0.413  -1.183
  183    HZ2  TRP  23           HZ2      TRP  23   4.023   1.301   3.072
  184    HZ3  TRP  23           HZ3      TRP  23   4.939  -1.259  -0.220
  185    HH2  TRP  23           HH2      TRP  23   3.704  -0.813   1.835
  186    H    HIS  24           HN       ZHI  24   9.285   2.146  -3.189
  187    HA   HIS  24           HA       ZHI  24  10.696   4.327  -4.561
  188   1HB   HIS  24           HBS      ZHI  24   9.732   1.661  -5.687
  189   2HB   HIS  24           HBR      ZHI  24  10.782   2.853  -6.506
  190    HD2  HIS  24           HD2      ZHI  24  13.080   3.408  -4.490
  191    HE1  HIS  24           HE1      ZHI  24  13.091  -0.560  -3.172
  192    HE2  HIS  24           HE2      ZHI  24  14.518   1.488  -3.515
  193    H    ARG  25           HN       ARG  25   9.921   5.489  -6.267
  194    HA   ARG  25           HA       ARG  25   7.218   6.359  -5.967
  195   1HB   ARG  25           HBR      ARG  25   9.347   7.578  -6.956
  196   2HB   ARG  25           HBS      ARG  25   8.756   6.881  -8.491
  197   1HG   ARG  25           HGR      ARG  25   7.216   8.472  -8.691
  198   2HG   ARG  25           HGS      ARG  25   6.587   8.145  -7.050
  199   1HD   ARG  25           HDR      ARG  25   7.928   9.718  -6.072
  200   2HD   ARG  25           HDS      ARG  25   9.141   9.655  -7.382
  201    HE   ARG  25           HE       ARG  25   6.548  11.097  -7.461
  202   1HH1  ARG  25           HH1      ARG  25   9.536  10.193  -9.100
  203   2HH1  ARG  25           HH1      ARG  25   9.508  11.573 -10.146
  204   1HH2  ARG  25           HH2      ARG  25   6.613  12.954  -8.758
  205   2HH2  ARG  25           HH2      ARG  25   7.853  13.135  -9.955
  206    HA   PRO  26           HA       PRO  26   6.668   3.775 -10.074
  207   1HB   PRO  26           HBS      PRO  26   8.626   1.787  -9.863
  208   2HB   PRO  26           HBR      PRO  26   8.257   2.705 -11.173
  209   1HG   PRO  26           HGS      PRO  26  10.455   2.941  -9.709
  210   2HG   PRO  26           HGR      PRO  26   9.882   4.123 -10.740
  211   1HD   PRO  26           HDS      PRO  26   9.821   4.076  -7.937
  212   2HD   PRO  26           HDR      PRO  26   9.621   5.370  -8.948
  213    H    CYS  27           HN       CYS  27   7.531   2.613  -7.016
  214    HA   CYS  27           HA       CYS  27   6.165   0.090  -7.351
  215   1HB   CYS  27           HBS      CYS  27   7.791   1.425  -5.246
  216   2HB   CYS  27           HBR      CYS  27   6.646   0.157  -4.724
  217    H    LEU  28           HN       LEU  28   5.618   2.990  -5.330
  218    HA   LEU  28           HA       LEU  28   3.410   1.913  -3.911
  219   1HB   LEU  28           HBR      LEU  28   5.001   3.863  -3.399
  220   2HB   LEU  28           HBS      LEU  28   3.919   4.845  -4.428
  221    HG   LEU  28           HG       LEU  28   2.085   3.862  -2.769
  222   1HD1  LEU  28           HMD      LEU  28   4.623   3.190  -1.532
  223   2HD1  LEU  28           HMD      LEU  28   3.692   4.322  -0.519
  224   3HD1  LEU  28           HMD      LEU  28   2.965   2.777  -1.028
  225   1HD2  LEU  28           HMD      LEU  28   3.743   6.240  -2.988
  226   2HD2  LEU  28           HMD      LEU  28   2.003   6.090  -2.630
  227   3HD2  LEU  28           HMD      LEU  28   3.198   5.978  -1.311
  228    H    LYS  29           HN       LYS  29   2.108   0.933  -5.493
  229    HA   LYS  29           HA       LYS  29   0.456   2.767  -7.150
  230   1HB   LYS  29           HBR      LYS  29   0.846   1.413  -9.115
  231   2HB   LYS  29           HBS      LYS  29   2.387   2.071  -8.500
  232   1HG   LYS  29           HGR      LYS  29   3.221  -0.001  -8.599
  233   2HG   LYS  29           HGS      LYS  29   2.116  -0.443  -7.266
  234   1HD   LYS  29           HDS      LYS  29   0.958  -1.776  -8.561
  235   2HD   LYS  29           HDR      LYS  29   0.619  -0.463  -9.656
  236   1HE   LYS  29           HER      LYS  29   3.016  -2.275  -9.742
  237   2HE   LYS  29           HES      LYS  29   1.633  -2.268 -10.871
  238   1HZ   LYS  29           HZB      LYS  29   2.420   0.219 -11.065
  239   2HZ   LYS  29           HZC      LYS  29   3.863  -0.449 -10.689
  240   3HZ   LYS  29           HZA      LYS  29   3.040  -0.967 -12.002
  241    H    CYS  30           HN       CYS  30  -1.543   2.022  -7.650
  242    HA   CYS  30           HA       CYS  30  -2.731   0.348  -5.761
  243   1HB   CYS  30           HBS      CYS  30  -3.761   2.195  -7.195
  244   2HB   CYS  30           HBR      CYS  30  -3.985   0.924  -8.432
  245    H    GLU  31           HN       GLU  31  -2.907  -1.738  -5.533
  246    HA   GLU  31           HA       GLU  31  -2.443  -3.549  -7.785
  247   1HB   GLU  31           HBR      GLU  31  -2.829  -3.742  -4.813
  248   2HB   GLU  31           HBS      GLU  31  -3.068  -5.100  -5.772
  249   1HG   GLU  31           HGS      GLU  31  -0.509  -3.528  -5.671
  250   2HG   GLU  31           HGR      GLU  31  -0.717  -5.161  -4.982
  251    H    LYS  32           HN       LYS  32  -4.971  -1.780  -7.347
  252    HA   LYS  32           HA       LYS  32  -6.884  -3.987  -7.940
  253   1HB   LYS  32           HBR      LYS  32  -6.994  -1.626  -6.193
  254   2HB   LYS  32           HBS      LYS  32  -8.398  -1.779  -7.289
  255   1HG   LYS  32           HGS      LYS  32  -7.446  -4.136  -5.654
  256   2HG   LYS  32           HGR      LYS  32  -8.497  -2.883  -4.932
  257   1HD   LYS  32           HDS      LYS  32  -9.787  -4.778  -5.728
  258   2HD   LYS  32           HDR      LYS  32 -10.186  -3.311  -6.577
  259   1HE   LYS  32           HES      LYS  32 -10.094  -5.164  -8.121
  260   2HE   LYS  32           HER      LYS  32  -8.813  -3.968  -8.469
  261   1HZ   LYS  32           HZC      LYS  32  -7.596  -5.647  -6.811
  262   2HZ   LYS  32           HZA      LYS  32  -8.581  -6.684  -7.600
  263   3HZ   LYS  32           HZB      LYS  32  -7.528  -5.758  -8.439
  264    H    CYS  33           HN       CYS  33  -5.975  -0.621  -8.719
  265    HA   CYS  33           HA       CYS  33  -7.504  -0.951 -11.250
  266   1HB   CYS  33           HBS      CYS  33  -7.974   1.361 -11.363
  267   2HB   CYS  33           HBR      CYS  33  -8.552   0.696  -9.814
  268    H    GLY  34           HN       GLY  34  -4.476  -0.604  -9.791
  269   1HA   GLY  34           HAR      GLY  34  -2.352  -0.473 -10.657
  270   2HA   GLY  34           HAS      GLY  34  -3.101  -0.814 -12.240
  271    H    LYS  35           HN       LYS  35  -3.718   1.968 -10.111
  272    HA   LYS  35           HA       LYS  35  -2.413   3.753 -12.114
  273   1HB   LYS  35           HBR      LYS  35  -4.964   3.939 -10.936
  274   2HB   LYS  35           HBS      LYS  35  -3.950   5.150 -10.101
  275   1HG   LYS  35           HGR      LYS  35  -3.378   5.356 -12.883
  276   2HG   LYS  35           HGS      LYS  35  -5.156   5.275 -12.717
  277   1HD   LYS  35           HDS      LYS  35  -3.854   7.052 -10.783
  278   2HD   LYS  35           HDR      LYS  35  -3.575   7.501 -12.443
  279   1HE   LYS  35           HES      LYS  35  -6.110   7.235 -12.773
  280   2HE   LYS  35           HER      LYS  35  -6.176   7.274 -10.987
  281   1HZ   LYS  35           HZB      LYS  35  -4.906   9.347 -12.637
  282   2HZ   LYS  35           HZC      LYS  35  -6.424   9.450 -12.046
  283   3HZ   LYS  35           HZA      LYS  35  -5.152   9.393 -11.024
  284    H    THR  36           HN       THR  36  -0.827   5.086 -11.463
  285    HA   THR  36           HA       THR  36   0.712   4.312  -9.146
  286    HB   THR  36           HB       THR  36   0.996   6.739 -11.010
  287    HG1  THR  36           HG1      THR  36   2.229   4.331 -10.753
  288   1HG2  THR  36           HMG      THR  36   2.845   5.639  -8.894
  289   2HG2  THR  36           HMG      THR  36   3.424   6.630 -10.257
  290   3HG2  THR  36           HMG      THR  36   2.240   7.302  -9.107
  291    H    LEU  37           HN       LEU  37   1.074   5.423  -7.272
  292    HA   LEU  37           HA       LEU  37  -1.211   7.143  -6.485
  293   1HB   LEU  37           HBR      LEU  37   0.661   5.466  -4.790
  294   2HB   LEU  37           HBS      LEU  37  -0.862   6.251  -4.283
  295    HG   LEU  37           HG       LEU  37  -0.776   4.079  -6.379
  296   1HD1  LEU  37           HMD      LEU  37  -1.053   3.848  -3.368
  297   2HD1  LEU  37           HMD      LEU  37  -1.516   2.570  -4.519
  298   3HD1  LEU  37           HMD      LEU  37   0.183   3.094  -4.406
  299   1HD2  LEU  37           HMD      LEU  37  -2.899   5.238  -4.544
  300   2HD2  LEU  37           HMD      LEU  37  -2.758   5.481  -6.304
  301   3HD2  LEU  37           HMD      LEU  37  -3.140   3.866  -5.656
  302    H    THR  38           HN       THR  38  -0.941   8.989  -5.304
  303    HA   THR  38           HA       THR  38   1.732  10.239  -5.701
  304    HB   THR  38           HB       THR  38  -0.250  11.115  -7.085
  305    HG1  THR  38           HG1      THR  38   0.515  12.823  -7.051
  306   1HG2  THR  38           HMG      THR  38  -1.128  12.173  -4.389
  307   2HG2  THR  38           HMG      THR  38  -1.673  12.825  -5.954
  308   3HG2  THR  38           HMG      THR  38  -2.055  11.143  -5.507
  309    H    SER  39           HN       SER  39   1.399  12.528  -4.301
  310    HA   SER  39           HA       SER  39   2.431  11.601  -1.867
  311   1HB   SER  39           HBR      SER  39   2.012  14.208  -1.302
  312   2HB   SER  39           HBS      SER  39   3.363  13.584  -2.292
  313    HG   SER  39           HG       SER  39   2.396  14.040  -4.168
  314    H    GLY  40           HN       GLY  40   0.857  10.261  -0.949
  315   1HA   GLY  40           HAR      GLY  40  -0.424   9.885   0.924
  316   2HA   GLY  40           HAS      GLY  40  -0.453  11.652   1.174
  317    H    GLY  41           HN       GLY  41  -1.679   9.517  -1.435
  318   1HA   GLY  41           HAR      GLY  41  -4.459  10.153  -0.561
  319   2HA   GLY  41           HAS      GLY  41  -4.021  10.238  -2.286
  320    H    HIS  42           HN       HIS  42  -2.133   7.844  -0.949
  321    HA   HIS  42           HA       HIS  42  -4.029   5.761  -1.709
  322   1HB   HIS  42           HBS      HIS  42  -2.117   4.277  -1.831
  323   2HB   HIS  42           HBR      HIS  42  -1.741   5.805  -2.680
  324    HD1  HIS  42           HD1      HIS  42  -0.404   3.547  -0.089
  325    HD2  HIS  42           HD2      HIS  42  -0.207   7.623  -0.919
  326    HE1  HIS  42           HE1      HIS  42   1.432   4.472   1.345
  327    HE2  HIS  42           HE2      HIS  42   1.611   6.922   0.784
  328    H    ALA  43           HN       ALA  43  -3.095   3.567  -0.443
  329    HA   ALA  43           HA       ALA  43  -2.218   3.741   2.122
  330   1HB   ALA  43           HMB      ALA  43  -5.225   3.717   2.040
  331   2HB   ALA  43           HMB      ALA  43  -4.342   2.915   3.362
  332   3HB   ALA  43           HMB      ALA  43  -4.123   4.660   3.074
  333    H    GLU  44           HN       GLU  44  -2.176   1.650   3.219
  334    HA   GLU  44           HA       GLU  44  -2.208  -0.506   1.144
  335   1HB   GLU  44           HBR      GLU  44   0.102  -0.766   1.450
  336   2HB   GLU  44           HBS      GLU  44  -0.232   0.850   1.148
  337   1HG   GLU  44           HGS      GLU  44   1.168   1.298   2.812
  338   2HG   GLU  44           HGR      GLU  44  -0.269   1.086   3.849
  339    H    HIS  45           HN       HIS  45  -1.951  -2.624   1.924
  340    HA   HIS  45           HA       HIS  45  -2.118  -2.984   4.870
  341   1HB   HIS  45           HBS      HIS  45  -2.708  -5.326   4.535
  342   2HB   HIS  45           HBR      HIS  45  -3.899  -4.280   3.708
  343    HD1  HIS  45           HD1      HIS  45  -0.577  -5.920   2.585
  344    HD2  HIS  45           HD2      HIS  45  -4.578  -5.573   1.483
  345    HE1  HIS  45           HE1      HIS  45  -0.875  -7.348   0.548
  346    HE2  HIS  45           HE2      HIS  45  -3.307  -7.188  -0.090
  347    H    GLU  46           HN       GLU  46  -0.741  -4.860   5.594
  348    HA   GLU  46           HA       GLU  46   1.907  -4.070   5.188
  349   1HB   GLU  46           HBR      GLU  46   0.477  -5.616   6.927
  350   2HB   GLU  46           HBS      GLU  46   1.275  -6.810   6.056
  351   1HG   GLU  46           HGR      GLU  46   3.514  -6.055   6.625
  352   2HG   GLU  46           HGS      GLU  46   2.817  -4.537   7.254
  353    H    GLY  47           HN       GLY  47   2.491  -4.085   3.041
  354   1HA   GLY  47           HAR      GLY  47   3.925  -5.784   1.749
  355   2HA   GLY  47           HAS      GLY  47   2.386  -6.662   1.539
  356    H    LYS  48           HN       LYS  48   0.625  -4.538   1.153
  357    HA   LYS  48           HA       LYS  48   1.452  -3.676  -1.582
  358   1HB   LYS  48           HBS      LYS  48  -0.847  -5.454  -0.746
  359   2HB   LYS  48           HBR      LYS  48  -0.866  -4.515  -2.265
  360   1HG   LYS  48           HGS      LYS  48   0.276  -6.138  -3.283
  361   2HG   LYS  48           HGR      LYS  48   1.624  -5.920  -2.132
  362   1HD   LYS  48           HDS      LYS  48   0.857  -7.623  -0.746
  363   2HD   LYS  48           HDR      LYS  48  -0.781  -7.492  -1.325
  364   1HE   LYS  48           HER      LYS  48   0.005  -8.363  -3.543
  365   2HE   LYS  48           HES      LYS  48   1.556  -8.746  -2.745
  366   1HZ   LYS  48           HZA      LYS  48   0.179 -10.007  -1.120
  367   2HZ   LYS  48           HZB      LYS  48  -1.096  -9.832  -2.125
  368   3HZ   LYS  48           HZC      LYS  48   0.231 -10.645  -2.622
  369    HA   PRO  49           HA       PRO  49  -0.931  -0.103  -0.382
  370   1HB   PRO  49           HBR      PRO  49   0.125   1.400  -2.309
  371   2HB   PRO  49           HBS      PRO  49   0.699   1.335  -0.771
  372   1HG   PRO  49           HGS      PRO  49   1.795   0.208  -3.082
  373   2HG   PRO  49           HGR      PRO  49   2.561   0.595  -1.651
  374   1HD   PRO  49           HDS      PRO  49   1.874  -1.887  -2.423
  375   2HD   PRO  49           HDR      PRO  49   2.326  -1.449  -0.894
  376    H    TYR  50           HN       TYR  50  -2.679   0.987  -1.200
  377    HA   TYR  50           HA       TYR  50  -3.211   0.621  -4.052
  378   1HB   TYR  50           HBR      TYR  50  -5.549   0.236  -2.188
  379   2HB   TYR  50           HBS      TYR  50  -5.388  -0.186  -3.916
  380    HD1  TYR  50           HD2      TYR  50  -3.922  -1.095  -0.592
  381    HD2  TYR  50           HD1      TYR  50  -5.249  -2.463  -4.394
  382    HE1  TYR  50           HE2      TYR  50  -3.668  -3.416   0.164
  383    HE2  TYR  50           HE1      TYR  50  -4.965  -4.792  -3.661
  384    HH   TYR  50           HH       TYR  50  -3.229  -5.808  -1.566
  385    H    CYS  51           HN       CYS  51  -5.304   2.020  -4.526
  386    HA   CYS  51           HA       CYS  51  -5.324   4.609  -3.634
  387   1HB   CYS  51           HBS      CYS  51  -7.732   2.893  -4.285
  388   2HB   CYS  51           HBR      CYS  51  -7.766   4.665  -4.079
  389    H    ASN  52           HN       ASN  52  -5.889   5.757  -1.934
  390    HA   ASN  52           HA       ASN  52  -6.763   4.661   0.543
  391   1HB   ASN  52           HBR      ASN  52  -5.630   6.892   0.144
  392   2HB   ASN  52           HBS      ASN  52  -7.245   7.502  -0.322
  393   1HD2  ASN  52           HD2      ASN  52  -6.351   7.895   3.409
  394   2HD2  ASN  52           HD2      ASN  52  -5.396   8.132   1.983
  395    H    HIS  53           HN       HIS  53  -8.475   5.938  -2.267
  396    HA   HIS  53           HA       HIS  53 -10.542   3.982  -1.789
  397   1HB   HIS  53           HBS      HIS  53 -11.251   6.930  -1.556
  398   2HB   HIS  53           HBR      HIS  53 -12.421   5.710  -2.136
  399    HD1  HIS  53           HD1      HIS  53 -13.550   4.232  -0.342
  400    HD2  HIS  53           HD2      HIS  53 -10.524   6.675   1.149
  401    HE1  HIS  53           HE1      HIS  53 -13.776   4.196   2.154
  402    HE2  HIS  53           HE2      HIS  53 -11.968   5.698   3.062
  403    HA   PRO  54           HA       PRO  54 -12.584   3.956  -2.505
  404   1HB   PRO  54           HBS      PRO  54 -13.830   2.365  -4.265
  405   2HB   PRO  54           HBR      PRO  54 -14.378   3.836  -3.784
  406   1HG   PRO  54           HGS      PRO  54 -13.369   3.105  -6.242
  407   2HG   PRO  54           HGR      PRO  54 -14.064   4.562  -5.825
  408   1HD   PRO  54           HDS      PRO  54 -11.379   4.013  -6.164
  409   2HD   PRO  54           HDR      PRO  54 -12.076   5.477  -5.840
  410    H    CYS  55           HN       CYS  55 -10.176   2.634  -4.303
  411    HA   CYS  55           HA       CYS  55 -10.858  -0.015  -4.381
  412   1HB   CYS  55           HBS      CYS  55  -8.053   1.122  -4.279
  413   2HB   CYS  55           HBR      CYS  55  -8.513  -0.506  -4.852
  414    H    TYR  56           HN       TYR  56  -8.928   1.611  -1.866
  415    HA   TYR  56           HA       TYR  56  -8.362  -0.669  -0.296
  416   1HB   TYR  56           HBR      TYR  56  -7.241   1.453   0.068
  417   2HB   TYR  56           HBS      TYR  56  -8.780   2.225   0.543
  418    HD1  TYR  56           HD1      TYR  56  -9.911   1.403   2.693
  419    HD2  TYR  56           HD2      TYR  56  -5.905   0.399   1.674
  420    HE1  TYR  56           HE1      TYR  56  -9.485   0.755   5.026
  421    HE2  TYR  56           HE2      TYR  56  -5.473  -0.269   3.994
  422    HH   TYR  56           HH       TYR  56  -6.688   0.628   6.354
  423    H    SER  57           HN       SER  57 -11.160   1.526  -0.349
  424    HA   SER  57           HA       SER  57 -12.524   0.197   1.772
  425   1HB   SER  57           HBS      SER  57 -12.858   2.547   0.324
  426   2HB   SER  57           HBR      SER  57 -14.298   1.568  -0.081
  427    HG   SER  57           HG       SER  57 -13.185   2.320   2.500
  428    H    ALA  58           HN       ALA  58 -12.291  -0.356  -1.662
  429    HA   ALA  58           HA       ALA  58 -14.773  -1.906  -1.737
  430   1HB   ALA  58           HMB      ALA  58 -13.994  -0.213  -3.472
  431   2HB   ALA  58           HMB      ALA  58 -12.821  -1.448  -3.994
  432   3HB   ALA  58           HMB      ALA  58 -14.569  -1.790  -4.073
  433    H    MET  59           HN       MET  59 -11.283  -2.413  -2.301
  434    HA   MET  59           HA       MET  59 -11.424  -5.253  -2.689
  435   1HB   MET  59           HBS      MET  59  -9.477  -3.408  -2.967
  436   2HB   MET  59           HBR      MET  59  -9.022  -4.093  -1.385
  437   1HG   MET  59           HGS      MET  59  -9.693  -5.881  -3.759
  438   2HG   MET  59           HGR      MET  59  -8.067  -5.190  -3.553
  439   1HE   MET  59           HME      MET  59  -6.486  -6.427  -2.822
  440   2HE   MET  59           HME      MET  59  -6.463  -5.989  -1.096
  441   3HE   MET  59           HME      MET  59  -6.421  -7.702  -1.580
  442    H    PHE  60           HN       PHE  60 -11.169  -3.133   0.140
  443    HA   PHE  60           HA       PHE  60 -11.485  -5.456   1.925
  444   1HB   PHE  60           HBR      PHE  60 -11.232  -2.495   2.617
  445   2HB   PHE  60           HBS      PHE  60 -11.323  -3.850   3.782
  446    HD1  PHE  60           HD1      PHE  60  -9.678  -5.840   2.865
  447    HD2  PHE  60           HD2      PHE  60  -8.989  -1.644   2.588
  448    HE1  PHE  60           HE1      PHE  60  -7.268  -6.268   2.693
  449    HE2  PHE  60           HE2      PHE  60  -6.555  -2.049   2.422
  450    HZ   PHE  60           HZ       PHE  60  -5.709  -4.379   2.415
  451    H    GLY  61           HN       GLY  61 -13.555  -4.574  -0.021
  452   1HA   GLY  61           HAR      GLY  61 -15.759  -5.221   1.716
  453   2HA   GLY  61           HAS      GLY  61 -15.867  -3.534   1.136
  454    HA   PRO  62           HA       PRO  62 -15.322  -6.050  -2.853
  455   1HB   PRO  62           HBS      PRO  62 -15.559  -8.745  -2.647
  456   2HB   PRO  62           HBR      PRO  62 -14.166  -7.921  -2.917
  457   1HG   PRO  62           HGS      PRO  62 -15.059  -9.135  -0.570
  458   2HG   PRO  62           HGR      PRO  62 -13.506  -8.666  -0.963
  459   1HD   PRO  62           HDS      PRO  62 -15.066  -7.396   0.788
  460   2HD   PRO  62           HDR      PRO  62 -13.742  -6.728   0.055
  461    H    LYS  63           HN       LYS  63 -16.791  -5.873  -4.338
  462    HA   LYS  63           HA       LYS  63 -18.785  -6.137  -5.438
  463   1HB   LYS  63           HBS      LYS  63 -17.910  -8.622  -4.653
  464   2HB   LYS  63           HBR      LYS  63 -19.571  -8.578  -3.994
  465   1HG   LYS  63           HGR      LYS  63 -19.604  -9.568  -6.211
  466   2HG   LYS  63           HGS      LYS  63 -20.413  -7.975  -6.259
  467   1HD   LYS  63           HDS      LYS  63 -19.165  -7.844  -8.142
  468   2HD   LYS  63           HDR      LYS  63 -18.138  -7.061  -6.972
  469   1HE   LYS  63           HES      LYS  63 -17.667  -9.943  -7.152
  470   2HE   LYS  63           HER      LYS  63 -17.368  -9.042  -8.665
  471   1HZ   LYS  63           HZB      LYS  63 -16.003  -7.528  -7.329
  472   2HZ   LYS  63           HZC      LYS  63 -16.175  -8.510  -6.036
  473   3HZ   LYS  63           HZA      LYS  63 -15.409  -9.049  -7.372
  474    H    GLY  64           HN       GLY  64 -18.755  -4.775  -2.788
  475   1HA   GLY  64           HAS      GLY  64 -21.455  -4.038  -2.850
  476   2HA   GLY  64           HAR      GLY  64 -21.274  -5.144  -1.463
  477    H    PHE  65           HN       PHE  65 -21.647  -2.098  -1.918
  478    HA   PHE  65           HA       PHE  65 -21.330  -0.299  -0.561
  479   1HB   PHE  65           HBS      PHE  65 -20.525  -2.577   1.125
  480   2HB   PHE  65           HBR      PHE  65 -19.710  -1.047   1.564
  481    HD1  PHE  65           HD1      PHE  65 -23.062  -1.967   0.308
  482    HD2  PHE  65           HD2      PHE  65 -20.867  -0.064   3.424
  483    HE1  PHE  65           HE1      PHE  65 -25.175  -1.249   1.330
  484    HE2  PHE  65           HE2      PHE  65 -22.982   0.666   4.477
  485    HZ   PHE  65           HZ       PHE  65 -25.136   0.116   3.383
  486    H    GLY  66           HN       GLY  66 -20.004   1.398  -0.492
  487   1HA   GLY  66           HAS      GLY  66 -17.467   1.696   0.226
  488   2HA   GLY  66           HAR      GLY  66 -17.217   1.113  -1.443
  489    H    ARG  67           HN       ARG  67 -18.349   3.716   0.593
  490    HA   ARG  67           HA       ARG  67 -17.623   5.604  -1.449
  491   1HB   ARG  67           HBR      ARG  67 -20.535   5.285  -0.736
  492   2HB   ARG  67           HBS      ARG  67 -19.858   6.880  -1.175
  493   1HG   ARG  67           HGS      ARG  67 -18.946   5.186  -3.186
  494   2HG   ARG  67           HGR      ARG  67 -20.611   4.621  -2.869
  495   1HD   ARG  67           HDS      ARG  67 -20.829   6.261  -4.506
  496   2HD   ARG  67           HDR      ARG  67 -21.289   7.062  -2.977
  497    HE   ARG  67           HE       ARG  67 -18.749   7.785  -3.077
  498   1HH1  ARG  67           HH1      ARG  67 -21.222   7.826  -5.589
  499   2HH1  ARG  67           HH1      ARG  67 -20.387   9.005  -6.544
  500   1HH2  ARG  67           HH2      ARG  67 -17.625   9.230  -4.415
  501   2HH2  ARG  67           HH2      ARG  67 -18.352   9.801  -5.880
  502    H    GLY  68           HN       GLY  68 -20.025   5.999   1.140
  503   1HA   GLY  68           HAS      GLY  68 -19.851   6.745   3.313
  504   2HA   GLY  68           HAR      GLY  68 -18.082   6.557   3.182
  505    H    GLY  69           HN       GLY  69 -18.265   8.565   4.532
  506   1HA   GLY  69           HAR      GLY  69 -18.806  11.009   2.900
  507   2HA   GLY  69           HAS      GLY  69 -19.144  10.851   4.645
  508    H    ALA  70           HN       ALA  70 -16.769  11.485   2.200
  509    HA   ALA  70           HA       ALA  70 -15.230  12.976   4.089
  510   1HB   ALA  70           HMB      ALA  70 -14.430  10.354   3.989
  511   2HB   ALA  70           HMB      ALA  70 -13.365  11.122   2.786
  512   3HB   ALA  70           HMB      ALA  70 -13.410  11.739   4.456
  513    H    GLU  71           HN       GLU  71 -15.523  11.476   0.899
  514    HA   GLU  71           HA       GLU  71 -15.122  12.230  -1.226
  515   1HB   GLU  71           HBS      GLU  71 -16.003  14.278  -1.612
  516   2HB   GLU  71           HBR      GLU  71 -16.909  13.644  -0.351
  517   1HG   GLU  71           HGS      GLU  71 -16.131  15.245   1.182
  518   2HG   GLU  71           HGR      GLU  71 -14.579  15.499   0.340
  519    H    SER  72           HN       SER  72 -12.764  11.981   0.458
  520    HA   SER  72           HA       SER  72 -10.518  12.310   0.223
  521   1HB   SER  72           HBS      SER  72 -10.836  13.631  -2.412
  522   2HB   SER  72           HBR      SER  72  -9.807  12.257  -1.915
  523    HG   SER  72           HG       SER  72 -12.586  12.446  -2.668
  524    H    HIS  73           HN       HIS  73  -9.046  14.235  -1.159
  525    HA   HIS  73           HA       HIS  73  -8.094  16.300  -0.824
  526   1HB   HIS  73           HBS      HIS  73 -10.900  16.942  -0.246
  527   2HB   HIS  73           HBR      HIS  73  -9.763  17.840   0.800
  528    HD1  HIS  73           HD1      HIS  73  -7.564  17.763  -1.753
  529    HD2  HIS  73           HD2      HIS  73 -11.401  19.377  -1.607
  530    HE1  HIS  73           HE1      HIS  73  -7.714  19.401  -3.643
  531    HE2  HIS  73           HE2      HIS  73 -10.042  20.364  -3.574
  532    H    THR  74           HN       THR  74  -6.627  16.814   0.646
  533    HA   THR  74           HA       THR  74  -6.828  15.419   3.263
  534    HB   THR  74           HB       THR  74  -4.222  16.258   3.166
  535    HG1  THR  74           HG1      THR  74  -5.107  15.575   0.687
  536   1HG2  THR  74           HMG      THR  74  -5.550  13.718   2.411
  537   2HG2  THR  74           HMG      THR  74  -3.853  13.908   1.904
  538   3HG2  THR  74           HMG      THR  74  -4.290  14.055   3.626
  539    H    PHE  75           HN       PHE  75  -5.611  16.592   5.035
  540    HA   PHE  75           HA       PHE  75  -5.352  18.368   6.443
  541   1HB   PHE  75           HBS      PHE  75  -4.770  19.616   3.749
  542   2HB   PHE  75           HBR      PHE  75  -4.820  20.620   5.227
  543    HD1  PHE  75           HD2      PHE  75  -3.432  19.255   7.293
  544    HD2  PHE  75           HD1      PHE  75  -2.729  19.109   3.092
  545    HE1  PHE  75           HE2      PHE  75  -1.109  18.516   7.712
  546    HE2  PHE  75           HE1      PHE  75  -0.422  18.371   3.482
  547    HZ   PHE  75           HZ       PHE  75   0.373  18.016   5.790
  548    H    LYS  76           HN       LYS  76  -7.479  18.268   7.214
  549    HA   LYS  76           HA       LYS  76  -9.127  20.587   6.473
  550   1HB   LYS  76           HBS      LYS  76 -10.039  18.731   5.105
  551   2HB   LYS  76           HBR      LYS  76 -10.306  17.793   6.601
  552   1HG   LYS  76           HGR      LYS  76 -12.407  18.758   6.020
  553   2HG   LYS  76           HGS      LYS  76 -11.778  19.706   7.398
  554   1HD   LYS  76           HDS      LYS  76 -10.811  20.963   5.078
  555   2HD   LYS  76           HDR      LYS  76 -12.462  20.537   4.726
  556   1HE   LYS  76           HES      LYS  76 -11.417  22.358   6.849
  557   2HE   LYS  76           HER      LYS  76 -12.693  22.621   5.627
  558   1HZ   LYS  76           HZB      LYS  76 -13.938  20.866   6.880
  559   2HZ   LYS  76           HZC      LYS  76 -12.850  21.040   8.086
  560   3HZ   LYS  76           HZA      LYS  76 -13.778  22.305   7.635
   
  No H/Q in entry =         560
  Start of MODEL   27
    1    H    PRO   1           HN       PRO   1  14.946   1.572   5.875
    2    HA   PRO   1           HA       PRO   1  13.396   3.189   4.906
    3   1HB   PRO   1           HBR      PRO   1  15.078   4.598   3.336
    4   2HB   PRO   1           HBS      PRO   1  14.279   5.185   4.644
    5   1HG   PRO   1           HGS      PRO   1  16.977   4.519   4.418
    6   2HG   PRO   1           HGR      PRO   1  16.243   5.508   5.544
    7   1HD   PRO   1           HDR      PRO   1  17.122   3.031   6.036
    8   2HD   PRO   1           HDS      PRO   1  16.049   3.858   6.985
    9    H    LYS   2           HN       LYS   2  13.082   0.937   4.323
   10    HA   LYS   2           HA       LYS   2  14.208   0.396   1.613
   11   1HB   LYS   2           HBS      LYS   2  14.278  -1.954   2.214
   12   2HB   LYS   2           HBR      LYS   2  15.265  -0.979   3.341
   13   1HG   LYS   2           HGR      LYS   2  13.958  -1.486   5.134
   14   2HG   LYS   2           HGS      LYS   2  12.453  -1.498   4.172
   15   1HD   LYS   2           HDS      LYS   2  12.456  -3.685   4.092
   16   2HD   LYS   2           HDR      LYS   2  13.990  -3.656   3.266
   17   1HE   LYS   2           HES      LYS   2  13.948  -3.385   6.242
   18   2HE   LYS   2           HER      LYS   2  13.734  -4.982   5.469
   19   1HZ   LYS   2           HZA      LYS   2  15.952  -3.244   4.707
   20   2HZ   LYS   2           HZB      LYS   2  16.067  -4.193   6.031
   21   3HZ   LYS   2           HZC      LYS   2  15.822  -4.866   4.564
   22    H    CYS   3           HN       CYS   3  12.942  -0.783   0.182
   23    HA   CYS   3           HA       CYS   3  10.327   0.152   0.192
   24   1HB   CYS   3           HBS      CYS   3  11.920  -0.297  -1.732
   25   2HB   CYS   3           HBR      CYS   3  11.369  -1.995  -1.643
   26    HA   PRO   4           HA       PRO   4   8.120  -3.259   2.069
   27   1HB   PRO   4           HBR      PRO   4   5.800  -1.817   1.774
   28   2HB   PRO   4           HBS      PRO   4   6.598  -2.127   3.175
   29   1HG   PRO   4           HGS      PRO   4   6.360   0.269   2.044
   30   2HG   PRO   4           HGR      PRO   4   7.447  -0.116   3.251
   31   1HD   PRO   4           HDS      PRO   4   7.911   0.146   0.467
   32   2HD   PRO   4           HDR      PRO   4   8.970   0.396   1.713
   33    H    LYS   5           HN       LYS   5   8.098  -1.952  -0.949
   34    HA   LYS   5           HA       LYS   5   6.069  -3.796  -1.989
   35   1HB   LYS   5           HBR      LYS   5   6.963  -1.274  -2.739
   36   2HB   LYS   5           HBS      LYS   5   7.672  -2.361  -3.966
   37   1HG   LYS   5           HGR      LYS   5   4.737  -2.025  -3.256
   38   2HG   LYS   5           HGS      LYS   5   5.547  -1.598  -4.790
   39   1HD   LYS   5           HDS      LYS   5   6.128  -4.065  -4.995
   40   2HD   LYS   5           HDR      LYS   5   5.025  -4.338  -3.674
   41   1HE   LYS   5           HER      LYS   5   3.840  -2.690  -5.746
   42   2HE   LYS   5           HES      LYS   5   4.365  -4.289  -6.344
   43   1HZ   LYS   5           HZA      LYS   5   3.164  -4.827  -4.000
   44   2HZ   LYS   5           HZB      LYS   5   2.226  -3.629  -4.594
   45   3HZ   LYS   5           HZC      LYS   5   2.474  -4.985  -5.472
   46    H    CYS   6           HN       CYS   6   9.386  -2.983  -3.089
   47    HA   CYS   6           HA       CYS   6   9.402  -5.622  -4.415
   48   1HB   CYS   6           HBS      CYS   6  11.205  -4.785  -5.779
   49   2HB   CYS   6           HBR      CYS   6   9.768  -3.730  -5.839
   50    H    ASP   7           HN       ASP   7  10.660  -4.102  -1.653
   51    HA   ASP   7           HA       ASP   7  12.160  -4.708  -0.078
   52   1HB   ASP   7           HBS      ASP   7  11.093  -7.033  -0.836
   53   2HB   ASP   7           HBR      ASP   7  12.801  -7.338  -1.268
   54    H    LYS   8           HN       LYS   8  13.059  -3.056  -1.963
   55    HA   LYS   8           HA       LYS   8  15.945  -3.816  -1.942
   56   1HB   LYS   8           HBS      LYS   8  14.397  -2.286  -3.861
   57   2HB   LYS   8           HBR      LYS   8  15.675  -1.281  -3.121
   58   1HG   LYS   8           HGS      LYS   8  17.253  -3.269  -3.673
   59   2HG   LYS   8           HGR      LYS   8  15.945  -3.803  -4.768
   60   1HD   LYS   8           HDR      LYS   8  17.519  -1.232  -4.805
   61   2HD   LYS   8           HDS      LYS   8  17.618  -2.528  -5.964
   62   1HE   LYS   8           HER      LYS   8  15.220  -2.087  -6.544
   63   2HE   LYS   8           HES      LYS   8  15.297  -0.652  -5.483
   64   1HZ   LYS   8           HZC      LYS   8  17.417  -0.298  -7.015
   65   2HZ   LYS   8           HZA      LYS   8  16.450  -1.074  -8.079
   66   3HZ   LYS   8           HZB      LYS   8  15.942   0.308  -7.371
   67    H    GLU   9           HN       GLU   9  17.044  -1.358  -1.736
   68    HA   GLU   9           HA       GLU   9  15.656   0.046   0.506
   69   1HB   GLU   9           HBS      GLU   9  18.457   0.584  -0.236
   70   2HB   GLU   9           HBR      GLU   9  17.715   0.893   1.234
   71   1HG   GLU   9           HGS      GLU   9  17.559  -1.854   1.144
   72   2HG   GLU   9           HGR      GLU   9  19.067  -1.615   0.223
   73    H    VAL  10           HN       VAL  10  15.741   2.380   0.326
   74    HA   VAL  10           HA       VAL  10  15.179   2.957  -2.519
   75    HB   VAL  10           HB       VAL  10  13.793   3.627   0.071
   76   1HG1  VAL  10           HMG      VAL  10  13.893   5.620  -1.619
   77   2HG1  VAL  10           HMG      VAL  10  12.697   4.662  -2.525
   78   3HG1  VAL  10           HMG      VAL  10  12.353   5.164  -0.852
   79   1HG2  VAL  10           HMG      VAL  10  13.541   1.515  -1.635
   80   2HG2  VAL  10           HMG      VAL  10  12.303   2.087  -0.494
   81   3HG2  VAL  10           HMG      VAL  10  12.244   2.608  -2.193
   82    H    TYR  11           HN       TYR  11  16.239   4.456  -3.526
   83    HA   TYR  11           HA       TYR  11  18.236   6.057  -2.061
   84   1HB   TYR  11           HBR      TYR  11  17.696   6.136  -5.037
   85   2HB   TYR  11           HBS      TYR  11  19.184   6.564  -4.147
   86    HD1  TYR  11           HD2      TYR  11  20.618   4.764  -3.227
   87    HD2  TYR  11           HD1      TYR  11  17.302   3.857  -5.731
   88    HE1  TYR  11           HE2      TYR  11  21.577   2.552  -3.680
   89    HE2  TYR  11           HE1      TYR  11  18.235   1.625  -6.168
   90    HH   TYR  11           HH       TYR  11  20.841   0.835  -6.298
   91    H    PHE  12           HN       PHE  12  18.375   8.358  -2.461
   92    HA   PHE  12           HA       PHE  12  16.177   9.379  -1.249
   93   1HB   PHE  12           HBR      PHE  12  18.512  10.750  -2.566
   94   2HB   PHE  12           HBS      PHE  12  17.134  11.737  -1.998
   95    HD1  PHE  12           HD2      PHE  12  18.513   8.625  -0.370
   96    HD2  PHE  12           HD1      PHE  12  18.046  12.859  -0.259
   97    HE1  PHE  12           HE2      PHE  12  19.311   8.645   1.970
   98    HE2  PHE  12           HE1      PHE  12  18.843  12.906   2.060
   99    HZ   PHE  12           HZ       PHE  12  19.522  10.808   3.163
  100    H    ALA  13           HN       ALA  13  17.148  10.760  -4.400
  101    HA   ALA  13           HA       ALA  13  14.719  11.826  -4.919
  102   1HB   ALA  13           HMB      ALA  13  17.072  11.069  -6.609
  103   2HB   ALA  13           HMB      ALA  13  15.604  11.655  -7.429
  104   3HB   ALA  13           HMB      ALA  13  16.421  12.682  -6.224
  105    H    GLU  14           HN       GLU  14  15.312   8.557  -5.005
  106    HA   GLU  14           HA       GLU  14  13.122   7.993  -6.911
  107   1HB   GLU  14           HBS      GLU  14  15.032   6.331  -5.322
  108   2HB   GLU  14           HBR      GLU  14  13.858   5.622  -6.290
  109   1HG   GLU  14           HGR      GLU  14  16.170   5.765  -7.417
  110   2HG   GLU  14           HGS      GLU  14  14.863   6.596  -8.305
  111    H    ARG  15           HN       ARG  15  12.854   9.221  -4.105
  112    HA   ARG  15           HA       ARG  15  11.664   6.959  -2.610
  113   1HB   ARG  15           HBR      ARG  15  12.033   8.149  -0.621
  114   2HB   ARG  15           HBS      ARG  15  13.514   8.345  -1.600
  115   1HG   ARG  15           HGS      ARG  15  13.391  10.516  -1.161
  116   2HG   ARG  15           HGR      ARG  15  11.962  10.585  -2.232
  117   1HD   ARG  15           HDR      ARG  15  10.522  10.095  -0.323
  118   2HD   ARG  15           HDS      ARG  15  11.956  10.057   0.742
  119    HE   ARG  15           HE       ARG  15  11.320  12.513  -0.797
  120   1HH1  ARG  15           HH1      ARG  15  11.377  10.838   2.305
  121   2HH1  ARG  15           HH1      ARG  15  11.469  12.305   3.219
  122   1HH2  ARG  15           HH2      ARG  15  11.570  14.403   0.427
  123   2HH2  ARG  15           HH2      ARG  15  11.575  14.324   2.156
  124    H    VAL  16           HN       VAL  16   9.637   6.875  -1.934
  125    HA   VAL  16           HA       VAL  16   8.231   9.400  -1.588
  126    HB   VAL  16           HB       VAL  16   6.108   8.694  -2.373
  127   1HG1  VAL  16           HMG      VAL  16   8.337   8.989  -4.131
  128   2HG1  VAL  16           HMG      VAL  16   7.194   7.828  -4.849
  129   3HG1  VAL  16           HMG      VAL  16   6.635   9.451  -4.377
  130   1HG2  VAL  16           HMG      VAL  16   7.374   6.013  -2.952
  131   2HG2  VAL  16           HMG      VAL  16   6.018   6.388  -1.863
  132   3HG2  VAL  16           HMG      VAL  16   5.811   6.533  -3.624
  133    H    THR  17           HN       THR  17   7.623   9.569   0.426
  134    HA   THR  17           HA       THR  17   8.056   7.182   2.152
  135    HB   THR  17           HB       THR  17   7.983  10.160   2.920
  136    HG1  THR  17           HG1      THR  17   9.895   8.232   2.831
  137   1HG2  THR  17           HMG      THR  17   7.353   8.181   4.619
  138   2HG2  THR  17           HMG      THR  17   9.127   8.154   4.781
  139   3HG2  THR  17           HMG      THR  17   8.227   9.659   5.101
  140    H    SER  18           HN       SER  18   6.484   6.397   3.400
  141    HA   SER  18           HA       SER  18   3.757   7.442   3.283
  142   1HB   SER  18           HBS      SER  18   3.884   4.894   1.858
  143   2HB   SER  18           HBR      SER  18   2.979   6.389   1.490
  144    HG   SER  18           HG       SER  18   4.724   7.338   0.542
  145    H    LEU  19           HN       LEU  19   2.665   6.696   4.930
  146    HA   LEU  19           HA       LEU  19   1.952   5.391   6.669
  147   1HB   LEU  19           HBR      LEU  19   2.723   3.487   4.459
  148   2HB   LEU  19           HBS      LEU  19   1.961   2.917   5.970
  149    HG   LEU  19           HG       LEU  19  -0.048   4.091   5.507
  150   1HD1  LEU  19           HMD      LEU  19   1.633   5.473   3.435
  151   2HD1  LEU  19           HMD      LEU  19  -0.121   5.298   3.174
  152   3HD1  LEU  19           HMD      LEU  19   0.484   6.155   4.614
  153   1HD2  LEU  19           HMD      LEU  19   1.192   2.267   3.609
  154   2HD2  LEU  19           HMD      LEU  19  -0.471   2.294   4.251
  155   3HD2  LEU  19           HMD      LEU  19  -0.046   3.285   2.833
  156    H    GLY  20           HN       GLY  20   4.931   6.078   6.475
  157   1HA   GLY  20           HAR      GLY  20   5.840   6.103   8.730
  158   2HA   GLY  20           HAS      GLY  20   5.609   4.336   8.802
  159    H    LYS  21           HN       LYS  21   6.517   4.226   5.885
  160    HA   LYS  21           HA       LYS  21   9.403   4.571   6.267
  161   1HB   LYS  21           HBS      LYS  21   8.455   1.866   5.344
  162   2HB   LYS  21           HBR      LYS  21  10.069   2.377   5.913
  163   1HG   LYS  21           HGS      LYS  21   8.859   2.760   8.199
  164   2HG   LYS  21           HGR      LYS  21   7.598   1.697   7.512
  165   1HD   LYS  21           HDR      LYS  21   8.989  -0.122   7.461
  166   2HD   LYS  21           HDS      LYS  21  10.451   0.821   7.372
  167   1HE   LYS  21           HER      LYS  21  10.498  -0.092   9.497
  168   2HE   LYS  21           HES      LYS  21   9.879   1.559   9.784
  169   1HZ   LYS  21           HZC      LYS  21   7.659   0.618   9.773
  170   2HZ   LYS  21           HZA      LYS  21   8.261  -0.888   9.584
  171   3HZ   LYS  21           HZB      LYS  21   8.575  -0.048  10.949
  172    H    ASP  22           HN       ASP  22  10.567   4.202   4.245
  173    HA   ASP  22           HA       ASP  22   9.092   5.721   2.309
  174   1HB   ASP  22           HBS      ASP  22  11.929   4.801   1.982
  175   2HB   ASP  22           HBR      ASP  22  11.126   6.261   1.334
  176    H    TRP  23           HN       TRP  23   9.382   5.324  -0.055
  177    HA   TRP  23           HA       TRP  23   9.549   2.453  -0.805
  178   1HB   TRP  23           HBR      TRP  23   7.405   4.430  -1.607
  179   2HB   TRP  23           HBS      TRP  23   7.490   2.688  -2.030
  180    HD1  TRP  23           HD1      TRP  23   6.906   5.031   0.989
  181    HE1  TRP  23           HE1      TRP  23   5.211   3.901   2.562
  182    HE3  TRP  23           HE3      TRP  23   6.457   0.595  -1.459
  183    HZ2  TRP  23           HZ2      TRP  23   3.710   1.531   2.586
  184    HZ3  TRP  23           HZ3      TRP  23   4.935  -1.098  -0.547
  185    HH2  TRP  23           HH2      TRP  23   3.516  -0.614   1.377
  186    H    HIS  24           HN       ZHI  24   9.394   2.295  -3.287
  187    HA   HIS  24           HA       ZHI  24  11.065   4.346  -4.537
  188   1HB   HIS  24           HBS      ZHI  24   9.966   1.738  -5.679
  189   2HB   HIS  24           HBR      ZHI  24  11.084   2.857  -6.516
  190    HD2  HIS  24           HD2      ZHI  24  13.291   3.388  -4.320
  191    HE1  HIS  24           HE1      ZHI  24  13.167  -0.613  -3.110
  192    HE2  HIS  24           HE2      ZHI  24  14.636   1.427  -3.295
  193    H    ARG  25           HN       ARG  25  10.561   5.485  -6.393
  194    HA   ARG  25           HA       ARG  25   8.096   6.798  -6.168
  195   1HB   ARG  25           HBR      ARG  25  10.347   6.849  -8.134
  196   2HB   ARG  25           HBS      ARG  25   8.788   7.564  -8.635
  197   1HG   ARG  25           HGS      ARG  25   9.987   8.357  -5.999
  198   2HG   ARG  25           HGR      ARG  25  10.659   9.033  -7.509
  199   1HD   ARG  25           HDS      ARG  25   8.508   9.887  -8.138
  200   2HD   ARG  25           HDR      ARG  25   7.745   9.104  -6.727
  201    HE   ARG  25           HE       ARG  25   9.607  10.691  -5.561
  202   1HH1  ARG  25           HH1      ARG  25   7.426  11.434  -8.229
  203   2HH1  ARG  25           HH1      ARG  25   7.138  13.054  -7.686
  204   1HH2  ARG  25           HH2      ARG  25   9.104  12.770  -4.812
  205   2HH2  ARG  25           HH2      ARG  25   8.086  13.810  -5.752
  206    HA   PRO  26           HA       PRO  26   6.776   4.281 -10.060
  207   1HB   PRO  26           HBS      PRO  26   8.433   2.054 -10.259
  208   2HB   PRO  26           HBR      PRO  26   8.098   3.162 -11.422
  209   1HG   PRO  26           HGS      PRO  26  10.429   2.892 -10.170
  210   2HG   PRO  26           HGR      PRO  26   9.977   4.239 -11.044
  211   1HD   PRO  26           HDS      PRO  26  10.125   3.934  -8.255
  212   2HD   PRO  26           HDR      PRO  26  10.091   5.333  -9.138
  213    H    CYS  27           HN       CYS  27   7.983   2.593  -7.338
  214    HA   CYS  27           HA       CYS  27   6.470   0.260  -7.683
  215   1HB   CYS  27           HBS      CYS  27   8.004   1.496  -5.450
  216   2HB   CYS  27           HBR      CYS  27   6.854   0.188  -5.045
  217    H    LEU  28           HN       LEU  28   5.827   3.079  -5.579
  218    HA   LEU  28           HA       LEU  28   3.692   1.865  -4.193
  219   1HB   LEU  28           HBS      LEU  28   5.228   3.861  -3.654
  220   2HB   LEU  28           HBR      LEU  28   4.041   4.836  -4.568
  221    HG   LEU  28           HG       LEU  28   2.460   3.455  -2.777
  222   1HD1  LEU  28           HMD      LEU  28   5.185   3.941  -1.631
  223   2HD1  LEU  28           HMD      LEU  28   3.757   4.261  -0.614
  224   3HD1  LEU  28           HMD      LEU  28   4.018   2.638  -1.299
  225   1HD2  LEU  28           HMD      LEU  28   3.481   6.150  -3.272
  226   2HD2  LEU  28           HMD      LEU  28   1.838   5.603  -2.849
  227   3HD2  LEU  28           HMD      LEU  28   3.043   5.882  -1.566
  228    H    LYS  29           HN       LYS  29   2.188   0.956  -5.512
  229    HA   LYS  29           HA       LYS  29   0.485   2.786  -7.105
  230   1HB   LYS  29           HBS      LYS  29   0.488   1.299  -9.007
  231   2HB   LYS  29           HBR      LYS  29   2.146   1.870  -8.668
  232   1HG   LYS  29           HGS      LYS  29   2.438  -0.360  -7.390
  233   2HG   LYS  29           HGR      LYS  29   0.957  -0.882  -8.244
  234   1HD   LYS  29           HDR      LYS  29   1.989  -0.953 -10.255
  235   2HD   LYS  29           HDS      LYS  29   3.099   0.341  -9.896
  236   1HE   LYS  29           HES      LYS  29   3.427  -2.191  -8.366
  237   2HE   LYS  29           HER      LYS  29   3.817  -2.214 -10.109
  238   1HZ   LYS  29           HZB      LYS  29   4.955   0.051  -9.104
  239   2HZ   LYS  29           HZC      LYS  29   5.277  -1.096  -7.985
  240   3HZ   LYS  29           HZA      LYS  29   5.726  -1.321  -9.540
  241    H    CYS  30           HN       CYS  30  -1.602   2.087  -7.383
  242    HA   CYS  30           HA       CYS  30  -2.754   0.225  -5.576
  243   1HB   CYS  30           HBS      CYS  30  -3.865   2.149  -6.839
  244   2HB   CYS  30           HBR      CYS  30  -3.993   1.000  -8.204
  245    H    GLU  31           HN       GLU  31  -2.657  -1.874  -5.542
  246    HA   GLU  31           HA       GLU  31  -2.240  -3.437  -7.991
  247   1HB   GLU  31           HBR      GLU  31  -1.397  -3.695  -5.483
  248   2HB   GLU  31           HBS      GLU  31  -2.896  -4.417  -5.267
  249   1HG   GLU  31           HGS      GLU  31  -1.153  -6.095  -5.686
  250   2HG   GLU  31           HGR      GLU  31  -2.502  -6.230  -6.844
  251    H    LYS  32           HN       LYS  32  -4.725  -1.824  -7.573
  252    HA   LYS  32           HA       LYS  32  -6.619  -4.062  -8.131
  253   1HB   LYS  32           HBR      LYS  32  -6.754  -2.426  -5.983
  254   2HB   LYS  32           HBS      LYS  32  -7.652  -1.445  -7.176
  255   1HG   LYS  32           HGS      LYS  32  -8.279  -4.340  -6.476
  256   2HG   LYS  32           HGR      LYS  32  -9.119  -2.917  -5.796
  257   1HD   LYS  32           HDS      LYS  32  -8.933  -3.243  -8.768
  258   2HD   LYS  32           HDR      LYS  32  -9.982  -4.320  -7.887
  259   1HE   LYS  32           HES      LYS  32 -11.489  -2.729  -7.373
  260   2HE   LYS  32           HER      LYS  32 -10.235  -1.466  -7.205
  261   1HZ   LYS  32           HZA      LYS  32 -10.240  -2.167  -9.834
  262   2HZ   LYS  32           HZB      LYS  32 -11.823  -2.102  -9.440
  263   3HZ   LYS  32           HZC      LYS  32 -10.866  -0.802  -9.188
  264    H    CYS  33           HN       CYS  33  -6.222  -0.520  -8.563
  265    HA   CYS  33           HA       CYS  33  -7.413  -0.859 -11.242
  266   1HB   CYS  33           HBS      CYS  33  -7.994   1.449 -11.176
  267   2HB   CYS  33           HBR      CYS  33  -8.541   0.615  -9.697
  268    H    GLY  34           HN       GLY  34  -4.385  -0.401  -9.803
  269   1HA   GLY  34           HAR      GLY  34  -2.305  -0.281 -10.778
  270   2HA   GLY  34           HAS      GLY  34  -3.120  -0.311 -12.367
  271    H    LYS  35           HN       LYS  35  -3.775   2.069  -9.840
  272    HA   LYS  35           HA       LYS  35  -2.680   4.235 -11.545
  273   1HB   LYS  35           HBS      LYS  35  -4.941   4.095  -9.927
  274   2HB   LYS  35           HBR      LYS  35  -3.766   5.022  -8.953
  275   1HG   LYS  35           HGR      LYS  35  -4.336   6.839 -10.125
  276   2HG   LYS  35           HGS      LYS  35  -3.588   6.082 -11.560
  277   1HD   LYS  35           HDR      LYS  35  -6.105   4.905 -11.304
  278   2HD   LYS  35           HDS      LYS  35  -6.380   6.591 -10.969
  279   1HE   LYS  35           HER      LYS  35  -4.891   6.929 -13.115
  280   2HE   LYS  35           HES      LYS  35  -5.411   5.256 -13.459
  281   1HZ   LYS  35           HZC      LYS  35  -7.313   7.382 -12.789
  282   2HZ   LYS  35           HZA      LYS  35  -6.851   7.083 -14.327
  283   3HZ   LYS  35           HZB      LYS  35  -7.623   5.930 -13.467
  284    H    THR  36           HN       THR  36  -0.912   5.347 -11.028
  285    HA   THR  36           HA       THR  36   0.860   4.545  -8.876
  286    HB   THR  36           HB       THR  36   0.885   7.037 -10.673
  287    HG1  THR  36           HG1      THR  36   1.951   6.058 -11.850
  288   1HG2  THR  36           HMG      THR  36   2.712   6.124  -8.514
  289   2HG2  THR  36           HMG      THR  36   3.463   6.722 -10.016
  290   3HG2  THR  36           HMG      THR  36   2.347   7.767  -9.099
  291    H    LEU  37           HN       LEU  37   1.129   5.427  -6.921
  292    HA   LEU  37           HA       LEU  37  -1.235   6.896  -5.963
  293   1HB   LEU  37           HBS      LEU  37   0.892   5.306  -4.497
  294   2HB   LEU  37           HBR      LEU  37  -0.642   5.922  -3.819
  295    HG   LEU  37           HG       LEU  37  -0.546   3.922  -6.078
  296   1HD1  LEU  37           HMD      LEU  37  -0.481   3.506  -3.083
  297   2HD1  LEU  37           HMD      LEU  37  -1.133   2.283  -4.205
  298   3HD1  LEU  37           HMD      LEU  37   0.570   2.791  -4.332
  299   1HD2  LEU  37           HMD      LEU  37  -2.559   5.300  -4.415
  300   2HD2  LEU  37           HMD      LEU  37  -2.703   4.578  -6.039
  301   3HD2  LEU  37           HMD      LEU  37  -2.810   3.544  -4.591
  302    H    THR  38           HN       THR  38  -1.084   8.547  -4.396
  303    HA   THR  38           HA       THR  38   1.094  10.407  -5.126
  304    HB   THR  38           HB       THR  38  -1.378  11.073  -5.328
  305    HG1  THR  38           HG1      THR  38  -0.731  12.751  -5.240
  306   1HG2  THR  38           HMG      THR  38  -2.123  10.138  -3.122
  307   2HG2  THR  38           HMG      THR  38  -1.221  11.454  -2.331
  308   3HG2  THR  38           HMG      THR  38  -2.584  11.835  -3.413
  309    H    SER  39           HN       SER  39   1.084  12.109  -3.023
  310    HA   SER  39           HA       SER  39   2.613  10.570  -1.099
  311   1HB   SER  39           HBS      SER  39   3.545  12.585  -2.062
  312   2HB   SER  39           HBR      SER  39   2.203  13.561  -1.397
  313    HG   SER  39           HG       SER  39   2.804  13.213   0.664
  314    H    GLY  40           HN       GLY  40  -0.210  10.144  -0.964
  315   1HA   GLY  40           HAR      GLY  40  -0.601   9.297   1.393
  316   2HA   GLY  40           HAS      GLY  40  -0.689  11.020   1.853
  317    H    GLY  41           HN       GLY  41  -1.987   9.107  -0.896
  318   1HA   GLY  41           HAR      GLY  41  -4.720   9.490   0.236
  319   2HA   GLY  41           HAS      GLY  41  -4.425   9.751  -1.503
  320    H    HIS  42           HN       HIS  42  -2.312   7.370  -0.553
  321    HA   HIS  42           HA       HIS  42  -4.196   5.221  -1.193
  322   1HB   HIS  42           HBS      HIS  42  -2.260   3.875  -1.698
  323   2HB   HIS  42           HBR      HIS  42  -2.078   5.478  -2.471
  324    HD1  HIS  42           HD1      HIS  42  -0.221   3.108  -0.378
  325    HD2  HIS  42           HD2      HIS  42  -0.335   7.239  -0.892
  326    HE1  HIS  42           HE1      HIS  42   1.965   3.990   0.479
  327    HE2  HIS  42           HE2      HIS  42   1.970   6.466   0.001
  328    H    ALA  43           HN       ALA  43  -2.952   3.030  -0.210
  329    HA   ALA  43           HA       ALA  43  -1.909   3.229   2.379
  330   1HB   ALA  43           HMB      ALA  43  -4.804   2.337   2.318
  331   2HB   ALA  43           HMB      ALA  43  -3.688   2.100   3.685
  332   3HB   ALA  43           HMB      ALA  43  -4.123   3.748   3.168
  333    H    GLU  44           HN       GLU  44  -1.445   1.113   3.305
  334    HA   GLU  44           HA       GLU  44  -0.862  -0.666   0.994
  335   1HB   GLU  44           HBR      GLU  44   1.247  -0.895   1.931
  336   2HB   GLU  44           HBS      GLU  44   0.831   0.725   2.045
  337   1HG   GLU  44           HGS      GLU  44   0.178   0.558   4.380
  338   2HG   GLU  44           HGR      GLU  44   0.656  -1.161   4.439
  339    H    HIS  45           HN       HIS  45  -1.631  -2.647   1.001
  340    HA   HIS  45           HA       HIS  45  -2.545  -3.945   3.406
  341   1HB   HIS  45           HBS      HIS  45  -2.167  -5.125   0.619
  342   2HB   HIS  45           HBR      HIS  45  -3.063  -5.865   1.976
  343    HD1  HIS  45           HD1      HIS  45  -3.370  -2.186   0.955
  344    HD2  HIS  45           HD2      HIS  45  -5.589  -5.708   1.031
  345    HE1  HIS  45           HE1      HIS  45  -5.705  -1.564   0.293
  346    HE2  HIS  45           HE2      HIS  45  -7.064  -3.683   0.386
  347    H    GLU  46           HN       GLU  46  -0.606  -3.906   4.652
  348    HA   GLU  46           HA       GLU  46   1.417  -4.636   5.462
  349   1HB   GLU  46           HBS      GLU  46   0.258  -6.954   3.996
  350   2HB   GLU  46           HBR      GLU  46   1.727  -7.152   4.781
  351   1HG   GLU  46           HGS      GLU  46   0.755  -7.015   6.907
  352   2HG   GLU  46           HGR      GLU  46  -0.575  -5.949   6.379
  353    H    GLY  47           HN       GLY  47   1.693  -3.099   3.173
  354   1HA   GLY  47           HAR      GLY  47   3.594  -2.472   1.972
  355   2HA   GLY  47           HAS      GLY  47   4.257  -4.114   2.182
  356    H    LYS  48           HN       LYS  48   0.983  -3.969   1.133
  357    HA   LYS  48           HA       LYS  48   1.766  -3.982  -1.749
  358   1HB   LYS  48           HBR      LYS  48  -0.753  -5.290  -0.759
  359   2HB   LYS  48           HBS      LYS  48   0.156  -5.559  -2.273
  360   1HG   LYS  48           HGR      LYS  48   1.961  -6.342  -0.319
  361   2HG   LYS  48           HGS      LYS  48   0.390  -6.886   0.340
  362   1HD   LYS  48           HDR      LYS  48   0.173  -7.648  -2.247
  363   2HD   LYS  48           HDS      LYS  48   1.893  -7.827  -2.025
  364   1HE   LYS  48           HER      LYS  48   1.032  -9.014   0.225
  365   2HE   LYS  48           HES      LYS  48  -0.372  -9.324  -0.834
  366   1HZ   LYS  48           HZB      LYS  48   2.335  -9.876  -1.771
  367   2HZ   LYS  48           HZC      LYS  48   1.563 -10.959  -0.822
  368   3HZ   LYS  48           HZA      LYS  48   0.923 -10.531  -2.262
  369    HA   PRO  49           HA       PRO  49  -0.450  -0.257  -0.916
  370   1HB   PRO  49           HBR      PRO  49   0.294   1.006  -3.169
  371   2HB   PRO  49           HBS      PRO  49   1.095   1.076  -1.737
  372   1HG   PRO  49           HGS      PRO  49   1.789  -0.334  -4.046
  373   2HG   PRO  49           HGR      PRO  49   2.772   0.144  -2.785
  374   1HD   PRO  49           HDS      PRO  49   1.919  -2.360  -3.190
  375   2HD   PRO  49           HDR      PRO  49   2.544  -1.791  -1.770
  376    H    TYR  50           HN       TYR  50  -2.278   0.867  -1.396
  377    HA   TYR  50           HA       TYR  50  -3.566   0.355  -3.981
  378   1HB   TYR  50           HBR      TYR  50  -4.855  -0.446  -1.348
  379   2HB   TYR  50           HBS      TYR  50  -5.724  -0.267  -2.899
  380    HD1  TYR  50           HD2      TYR  50  -3.158  -2.244  -1.101
  381    HD2  TYR  50           HD1      TYR  50  -5.778  -2.075  -4.447
  382    HE1  TYR  50           HE2      TYR  50  -2.723  -4.618  -1.550
  383    HE2  TYR  50           HE1      TYR  50  -5.400  -4.466  -4.872
  384    HH   TYR  50           HH       TYR  50  -2.717  -6.068  -3.400
  385    H    CYS  51           HN       CYS  51  -5.389   1.780  -4.320
  386    HA   CYS  51           HA       CYS  51  -5.575   4.286  -3.217
  387   1HB   CYS  51           HBS      CYS  51  -7.906   2.536  -4.039
  388   2HB   CYS  51           HBR      CYS  51  -7.968   4.299  -3.767
  389    H    ASN  52           HN       ASN  52  -6.052   5.187  -1.378
  390    HA   ASN  52           HA       ASN  52  -7.095   3.828   0.912
  391   1HB   ASN  52           HBR      ASN  52  -5.796   6.060   0.757
  392   2HB   ASN  52           HBS      ASN  52  -7.414   6.777   0.511
  393   1HD2  ASN  52           HD2      ASN  52  -7.048   7.108   4.068
  394   2HD2  ASN  52           HD2      ASN  52  -6.760   7.904   2.556
  395    H    HIS  53           HN       HIS  53  -8.545   5.576  -1.787
  396    HA   HIS  53           HA       HIS  53 -10.795   3.765  -1.553
  397   1HB   HIS  53           HBS      HIS  53 -11.260   6.763  -1.337
  398   2HB   HIS  53           HBR      HIS  53 -12.477   5.653  -2.030
  399    HD1  HIS  53           HD1      HIS  53 -14.074   4.639  -0.340
  400    HD2  HIS  53           HD2      HIS  53 -10.584   6.089   1.410
  401    HE1  HIS  53           HE1      HIS  53 -14.433   4.543   2.138
  402    HE2  HIS  53           HE2      HIS  53 -12.331   5.435   3.203
  403    HA   PRO  54           HA       PRO  54 -12.782   3.858  -2.487
  404   1HB   PRO  54           HBR      PRO  54 -13.896   2.352  -4.348
  405   2HB   PRO  54           HBS      PRO  54 -14.340   3.913  -4.077
  406   1HG   PRO  54           HGR      PRO  54 -13.065   2.902  -6.298
  407   2HG   PRO  54           HGS      PRO  54 -13.631   4.451  -6.047
  408   1HD   PRO  54           HDR      PRO  54 -11.010   3.484  -5.784
  409   2HD   PRO  54           HDS      PRO  54 -11.511   5.055  -5.925
  410    H    CYS  55           HN       CYS  55 -10.366   2.416  -4.296
  411    HA   CYS  55           HA       CYS  55 -11.172  -0.134  -4.403
  412   1HB   CYS  55           HBS      CYS  55  -8.297   0.784  -4.150
  413   2HB   CYS  55           HBR      CYS  55  -8.838  -0.804  -4.766
  414    H    TYR  56           HN       TYR  56  -9.153   1.176  -1.764
  415    HA   TYR  56           HA       TYR  56  -8.757  -1.318  -0.419
  416   1HB   TYR  56           HBR      TYR  56  -7.352   0.678  -0.040
  417   2HB   TYR  56           HBS      TYR  56  -8.741   1.504   0.722
  418    HD1  TYR  56           HD1      TYR  56  -7.738  -2.071   1.184
  419    HD2  TYR  56           HD2      TYR  56  -8.000   1.799   2.928
  420    HE1  TYR  56           HE1      TYR  56  -7.163  -3.025   3.373
  421    HE2  TYR  56           HE2      TYR  56  -7.406   0.862   5.117
  422    HH   TYR  56           HH       TYR  56  -6.113  -0.869   5.947
  423    H    SER  57           HN       SER  57 -11.030   1.390   0.166
  424    HA   SER  57           HA       SER  57 -12.402   0.056   2.251
  425   1HB   SER  57           HBS      SER  57 -13.867   1.859   2.300
  426   2HB   SER  57           HBR      SER  57 -12.319   2.557   1.742
  427    HG   SER  57           HG       SER  57 -12.984   2.829  -0.252
  428    H    ALA  58           HN       ALA  58 -12.565  -0.281  -1.151
  429    HA   ALA  58           HA       ALA  58 -15.388  -0.861  -1.308
  430   1HB   ALA  58           HMB      ALA  58 -13.092  -1.032  -3.269
  431   2HB   ALA  58           HMB      ALA  58 -14.776  -1.442  -3.684
  432   3HB   ALA  58           HMB      ALA  58 -14.364   0.211  -3.159
  433    H    MET  59           HN       MET  59 -12.387  -2.776  -1.540
  434    HA   MET  59           HA       MET  59 -14.026  -5.262  -1.653
  435   1HB   MET  59           HBS      MET  59 -12.100  -4.599  -3.445
  436   2HB   MET  59           HBR      MET  59 -11.116  -5.408  -2.200
  437   1HG   MET  59           HGS      MET  59 -11.757  -7.195  -3.612
  438   2HG   MET  59           HGR      MET  59 -12.913  -7.276  -2.264
  439   1HE   MET  59           HME      MET  59 -14.855  -7.822  -2.581
  440   2HE   MET  59           HME      MET  59 -16.130  -7.099  -3.593
  441   3HE   MET  59           HME      MET  59 -15.177  -8.474  -4.207
  442    H    PHE  60           HN       PHE  60 -11.939  -3.230   0.141
  443    HA   PHE  60           HA       PHE  60 -11.019  -5.466   1.869
  444   1HB   PHE  60           HBR      PHE  60  -9.536  -3.581   0.204
  445   2HB   PHE  60           HBS      PHE  60  -9.050  -3.452   1.917
  446    HD1  PHE  60           HD1      PHE  60  -9.059  -5.896   3.050
  447    HD2  PHE  60           HD2      PHE  60  -8.191  -5.101  -1.045
  448    HE1  PHE  60           HE1      PHE  60  -7.885  -8.045   2.905
  449    HE2  PHE  60           HE2      PHE  60  -7.009  -7.266  -1.221
  450    HZ   PHE  60           HZ       PHE  60  -6.868  -8.739   0.768
  451    H    GLY  61           HN       GLY  61  -9.490  -3.923   3.594
  452   1HA   GLY  61           HAR      GLY  61 -11.440  -3.534   5.583
  453   2HA   GLY  61           HAS      GLY  61  -9.739  -3.008   5.702
  454    HA   PRO  62           HA       PRO  62 -12.798   0.419   4.018
  455   1HB   PRO  62           HBR      PRO  62 -14.885   0.393   5.809
  456   2HB   PRO  62           HBS      PRO  62 -14.966   0.155   4.187
  457   1HG   PRO  62           HGS      PRO  62 -15.389  -1.703   6.072
  458   2HG   PRO  62           HGR      PRO  62 -15.237  -1.991   4.437
  459   1HD   PRO  62           HDS      PRO  62 -13.362  -2.455   6.473
  460   2HD   PRO  62           HDR      PRO  62 -13.398  -3.084   4.944
  461    H    LYS  63           HN       LYS  63 -12.180  -0.383   7.270
  462    HA   LYS  63           HA       LYS  63 -12.746   2.076   8.456
  463   1HB   LYS  63           HBR      LYS  63 -11.663  -0.396   9.273
  464   2HB   LYS  63           HBS      LYS  63 -10.472   0.848   9.750
  465   1HG   LYS  63           HGR      LYS  63 -12.226   2.079  10.957
  466   2HG   LYS  63           HGS      LYS  63 -13.432   0.854  10.466
  467   1HD   LYS  63           HDS      LYS  63 -11.016  -0.137  11.868
  468   2HD   LYS  63           HDR      LYS  63 -12.098   0.858  12.801
  469   1HE   LYS  63           HES      LYS  63 -12.644  -1.788  11.513
  470   2HE   LYS  63           HER      LYS  63 -12.876  -1.263  13.205
  471   1HZ   LYS  63           HZC      LYS  63 -14.579   0.285  12.248
  472   2HZ   LYS  63           HZA      LYS  63 -14.499  -0.581  10.866
  473   3HZ   LYS  63           HZB      LYS  63 -14.971  -1.300  12.253
  474    H    GLY  64           HN       GLY  64  -9.392   0.894   8.238
  475   1HA   GLY  64           HAR      GLY  64  -7.969   2.153   6.565
  476   2HA   GLY  64           HAS      GLY  64  -8.520   3.629   7.402
  477    H    PHE  65           HN       PHE  65  -7.203   4.398   8.884
  478    HA   PHE  65           HA       PHE  65  -5.497   4.587  10.406
  479   1HB   PHE  65           HBS      PHE  65  -6.475   1.999  11.074
  480   2HB   PHE  65           HBR      PHE  65  -4.703   1.852  10.897
  481    HD1  PHE  65           HD2      PHE  65  -3.917   4.654  11.857
  482    HD2  PHE  65           HD1      PHE  65  -6.786   1.856  13.301
  483    HE1  PHE  65           HE2      PHE  65  -3.656   5.573  14.137
  484    HE2  PHE  65           HE1      PHE  65  -6.544   2.746  15.573
  485    HZ   PHE  65           HZ       PHE  65  -4.936   4.565  16.006
  486    H    GLY  66           HN       GLY  66  -3.172   3.287  10.731
  487   1HA   GLY  66           HAR      GLY  66  -1.539   2.267   8.880
  488   2HA   GLY  66           HAS      GLY  66  -1.977   3.801   8.081
  489    H    ARG  67           HN       ARG  67  -0.851   5.556   8.572
  490    HA   ARG  67           HA       ARG  67   1.576   5.287   9.925
  491   1HB   ARG  67           HBR      ARG  67   0.584   7.092   8.187
  492   2HB   ARG  67           HBS      ARG  67   0.471   8.039   9.698
  493   1HG   ARG  67           HGS      ARG  67   2.899   7.563  10.093
  494   2HG   ARG  67           HGR      ARG  67   2.960   6.807   8.476
  495   1HD   ARG  67           HDS      ARG  67   3.695   9.225   8.668
  496   2HD   ARG  67           HDR      ARG  67   2.511   8.820   7.392
  497    HE   ARG  67           HE       ARG  67   1.326   9.729   9.894
  498   1HH1  ARG  67           HH1      ARG  67   2.337  10.535   6.615
  499   2HH1  ARG  67           HH1      ARG  67   1.549  12.077   6.634
  500   1HH2  ARG  67           HH2      ARG  67   0.417  11.806   9.928
  501   2HH2  ARG  67           HH2      ARG  67   0.460  12.796   8.509
  502    H    GLY  68           HN       GLY  68   2.356   6.834  11.648
  503   1HA   GLY  68           HAS      GLY  68   1.050   7.871  13.820
  504   2HA   GLY  68           HAR      GLY  68   0.823   6.115  14.020
  505    H    GLY  69           HN       GLY  69   3.431   5.685  12.523
  506   1HA   GLY  69           HAR      GLY  69   4.938   5.073  14.794
  507   2HA   GLY  69           HAS      GLY  69   5.574   5.102  13.128
  508    H    ALA  70           HN       ALA  70   6.729   5.943  15.761
  509    HA   ALA  70           HA       ALA  70   7.570   8.693  15.051
  510   1HB   ALA  70           HMB      ALA  70   5.544   8.091  16.941
  511   2HB   ALA  70           HMB      ALA  70   6.996   8.577  17.852
  512   3HB   ALA  70           HMB      ALA  70   6.327   9.657  16.603
  513    H    GLU  71           HN       GLU  71   8.715   9.177  17.607
  514    HA   GLU  71           HA       GLU  71  10.849   9.121  18.440
  515   1HB   GLU  71           HBR      GLU  71  11.017   6.193  17.913
  516   2HB   GLU  71           HBS      GLU  71  11.625   7.127  19.169
  517   1HG   GLU  71           HGR      GLU  71   8.837   7.500  19.482
  518   2HG   GLU  71           HGS      GLU  71   9.078   5.785  19.051
  519    H    SER  72           HN       SER  72  13.132   8.482  17.914
  520    HA   SER  72           HA       SER  72  13.589   8.277  14.997
  521   1HB   SER  72           HBS      SER  72  13.136  10.689  15.792
  522   2HB   SER  72           HBR      SER  72  14.758  10.585  16.539
  523    HG   SER  72           HG       SER  72  13.902  10.234  13.783
  524    H    HIS  73           HN       HIS  73  16.220   9.184  15.048
  525    HA   HIS  73           HA       HIS  73  17.398   6.744  16.203
  526   1HB   HIS  73           HBR      HIS  73  18.242   8.577  13.937
  527   2HB   HIS  73           HBS      HIS  73  19.371   7.403  14.671
  528    HD1  HIS  73           HD1      HIS  73  19.297   5.081  13.643
  529    HD2  HIS  73           HD2      HIS  73  15.813   7.251  12.942
  530    HE1  HIS  73           HE1      HIS  73  17.938   3.731  12.025
  531    HE2  HIS  73           HE2      HIS  73  15.839   5.051  11.580
  532    H    THR  74           HN       THR  74  19.196   6.691  17.447
  533    HA   THR  74           HA       THR  74  20.577   7.363  19.146
  534    HB   THR  74           HB       THR  74  21.664   8.208  16.974
  535    HG1  THR  74           HG1      THR  74  21.987   9.570  19.303
  536   1HG2  THR  74           HMG      THR  74  20.259  10.696  17.771
  537   2HG2  THR  74           HMG      THR  74  21.958  10.863  17.260
  538   3HG2  THR  74           HMG      THR  74  20.770  10.109  16.167
  539    H    PHE  75           HN       PHE  75  17.851   8.049  19.572
  540    HA   PHE  75           HA       PHE  75  16.672   9.080  21.225
  541   1HB   PHE  75           HBS      PHE  75  19.312  10.309  22.127
  542   2HB   PHE  75           HBR      PHE  75  17.815  10.110  23.084
  543    HD1  PHE  75           HD2      PHE  75  17.161   7.770  23.851
  544    HD2  PHE  75           HD1      PHE  75  20.809   8.607  21.815
  545    HE1  PHE  75           HE2      PHE  75  18.029   5.549  24.507
  546    HE2  PHE  75           HE1      PHE  75  21.691   6.408  22.449
  547    HZ   PHE  75           HZ       PHE  75  20.282   4.853  23.744
  548    H    LYS  76           HN       LYS  76  15.530  10.912  21.571
  549    HA   LYS  76           HA       LYS  76  16.462  13.386  20.183
  550   1HB   LYS  76           HBR      LYS  76  14.319  12.418  19.308
  551   2HB   LYS  76           HBS      LYS  76  13.607  12.679  20.927
  552   1HG   LYS  76           HGR      LYS  76  14.569  15.163  20.450
  553   2HG   LYS  76           HGS      LYS  76  14.256  14.634  18.772
  554   1HD   LYS  76           HDS      LYS  76  12.093  14.928  18.978
  555   2HD   LYS  76           HDR      LYS  76  12.042  13.884  20.373
  556   1HE   LYS  76           HES      LYS  76  12.802  15.849  21.769
  557   2HE   LYS  76           HER      LYS  76  12.493  16.847  20.321
  558   1HZ   LYS  76           HZB      LYS  76  10.269  15.330  20.629
  559   2HZ   LYS  76           HZC      LYS  76  10.650  15.754  22.159
  560   3HZ   LYS  76           HZA      LYS  76  10.423  16.906  21.024
   
  No H/Q in entry =         560
  Start of MODEL   28
    1    H    PRO   1           HN       PRO   1  13.110   3.820   3.727
    2    HA   PRO   1           HA       PRO   1  15.304   3.918   2.900
    3   1HB   PRO   1           HBS      PRO   1  16.629   2.085   4.397
    4   2HB   PRO   1           HBR      PRO   1  16.883   3.706   4.420
    5   1HG   PRO   1           HGR      PRO   1  15.565   2.118   6.306
    6   2HG   PRO   1           HGS      PRO   1  16.176   3.661   6.479
    7   1HD   PRO   1           HDS      PRO   1  13.576   3.065   6.283
    8   2HD   PRO   1           HDR      PRO   1  14.222   4.570   6.044
    9    H    LYS   2           HN       LYS   2  13.326   1.359   3.783
   10    HA   LYS   2           HA       LYS   2  14.354  -0.263   1.499
   11   1HB   LYS   2           HBR      LYS   2  15.181  -1.121   3.657
   12   2HB   LYS   2           HBS      LYS   2  13.496  -1.254   4.238
   13   1HG   LYS   2           HGS      LYS   2  14.184  -2.643   1.680
   14   2HG   LYS   2           HGR      LYS   2  14.840  -3.330   3.193
   15   1HD   LYS   2           HDR      LYS   2  12.013  -2.584   3.314
   16   2HD   LYS   2           HDS      LYS   2  12.332  -3.756   2.065
   17   1HE   LYS   2           HES      LYS   2  12.595  -5.402   3.560
   18   2HE   LYS   2           HER      LYS   2  13.700  -4.401   4.547
   19   1HZ   LYS   2           HZC      LYS   2  11.773  -3.344   5.493
   20   2HZ   LYS   2           HZA      LYS   2  10.762  -4.256   4.592
   21   3HZ   LYS   2           HZB      LYS   2  11.699  -4.958   5.731
   22    H    CYS   3           HN       CYS   3  12.874  -0.980   0.150
   23    HA   CYS   3           HA       CYS   3  10.291   0.043   0.374
   24   1HB   CYS   3           HBS      CYS   3  11.677  -0.248  -1.674
   25   2HB   CYS   3           HBR      CYS   3  11.308  -1.995  -1.612
   26    HA   PRO   4           HA       PRO   4   8.104  -3.384   2.210
   27   1HB   PRO   4           HBR      PRO   4   5.761  -1.972   1.918
   28   2HB   PRO   4           HBS      PRO   4   6.570  -2.268   3.316
   29   1HG   PRO   4           HGS      PRO   4   6.300   0.122   2.200
   30   2HG   PRO   4           HGR      PRO   4   7.439  -0.257   3.361
   31   1HD   PRO   4           HDS      PRO   4   7.778  -0.026   0.549
   32   2HD   PRO   4           HDR      PRO   4   8.877   0.288   1.748
   33    H    LYS   5           HN       LYS   5   7.714  -1.953  -0.803
   34    HA   LYS   5           HA       LYS   5   5.595  -3.725  -1.757
   35   1HB   LYS   5           HBR      LYS   5   6.545  -1.302  -2.604
   36   2HB   LYS   5           HBS      LYS   5   7.349  -2.424  -3.738
   37   1HG   LYS   5           HGR      LYS   5   4.365  -2.102  -3.253
   38   2HG   LYS   5           HGS      LYS   5   5.280  -1.702  -4.735
   39   1HD   LYS   5           HDR      LYS   5   5.887  -4.345  -4.309
   40   2HD   LYS   5           HDS      LYS   5   4.221  -4.272  -3.802
   41   1HE   LYS   5           HES      LYS   5   3.699  -3.146  -5.999
   42   2HE   LYS   5           HER      LYS   5   5.393  -3.474  -6.462
   43   1HZ   LYS   5           HZC      LYS   5   4.615  -5.854  -5.670
   44   2HZ   LYS   5           HZA      LYS   5   3.179  -5.293  -6.210
   45   3HZ   LYS   5           HZB      LYS   5   4.467  -5.342  -7.215
   46    H    CYS   6           HN       CYS   6   8.971  -3.198  -2.844
   47    HA   CYS   6           HA       CYS   6   8.764  -5.849  -4.115
   48   1HB   CYS   6           HBS      CYS   6  10.536  -5.120  -5.589
   49   2HB   CYS   6           HBR      CYS   6   9.156  -3.991  -5.577
   50    H    ASP   7           HN       ASP   7  10.450  -4.247  -1.569
   51    HA   ASP   7           HA       ASP   7  12.131  -4.849  -0.174
   52   1HB   ASP   7           HBR      ASP   7  11.081  -7.325  -0.901
   53   2HB   ASP   7           HBS      ASP   7  12.847  -7.470  -1.132
   54    H    LYS   8           HN       LYS   8  12.911  -3.147  -1.732
   55    HA   LYS   8           HA       LYS   8  15.656  -4.102  -2.335
   56   1HB   LYS   8           HBS      LYS   8  14.074  -3.020  -4.305
   57   2HB   LYS   8           HBR      LYS   8  14.902  -1.577  -3.653
   58   1HG   LYS   8           HGS      LYS   8  16.089  -2.616  -5.584
   59   2HG   LYS   8           HGR      LYS   8  17.073  -2.557  -4.095
   60   1HD   LYS   8           HDS      LYS   8  16.526  -4.922  -3.682
   61   2HD   LYS   8           HDR      LYS   8  15.518  -4.942  -5.104
   62   1HE   LYS   8           HER      LYS   8  17.458  -5.934  -5.826
   63   2HE   LYS   8           HES      LYS   8  17.612  -4.254  -6.414
   64   1HZ   LYS   8           HZC      LYS   8  18.842  -5.325  -3.967
   65   2HZ   LYS   8           HZA      LYS   8  19.622  -5.034  -5.371
   66   3HZ   LYS   8           HZB      LYS   8  18.990  -3.793  -4.516
   67    H    GLU   9           HN       GLU   9  16.913  -1.718  -2.509
   68    HA   GLU   9           HA       GLU   9  16.190  -0.241  -0.012
   69   1HB   GLU   9           HBS      GLU   9  18.642   0.406  -1.427
   70   2HB   GLU   9           HBR      GLU   9  18.364   0.398   0.222
   71   1HG   GLU   9           HGS      GLU   9  19.075  -1.878  -1.638
   72   2HG   GLU   9           HGR      GLU   9  20.008  -1.379  -0.202
   73    H    VAL  10           HN       VAL  10  16.062   2.006  -0.119
   74    HA   VAL  10           HA       VAL  10  15.091   2.816  -2.807
   75    HB   VAL  10           HB       VAL  10  13.992   3.264  -0.026
   76   1HG1  VAL  10           HMG      VAL  10  13.655   4.992  -2.270
   77   2HG1  VAL  10           HMG      VAL  10  12.121   4.132  -1.990
   78   3HG1  VAL  10           HMG      VAL  10  12.875   5.061  -0.671
   79   1HG2  VAL  10           HMG      VAL  10  13.673   1.137  -1.704
   80   2HG2  VAL  10           HMG      VAL  10  12.542   1.625  -0.421
   81   3HG2  VAL  10           HMG      VAL  10  12.253   2.141  -2.100
   82    H    TYR  11           HN       TYR  11  15.736   4.628  -3.696
   83    HA   TYR  11           HA       TYR  11  17.949   6.025  -2.306
   84   1HB   TYR  11           HBS      TYR  11  18.202   4.978  -4.633
   85   2HB   TYR  11           HBR      TYR  11  17.170   6.311  -5.220
   86    HD1  TYR  11           HD2      TYR  11  18.001   8.599  -5.240
   87    HD2  TYR  11           HD1      TYR  11  20.500   5.429  -3.896
   88    HE1  TYR  11           HE2      TYR  11  19.941  10.100  -5.333
   89    HE2  TYR  11           HE1      TYR  11  22.454   6.915  -4.009
   90    HH   TYR  11           HH       TYR  11  23.232   8.853  -4.762
   91    H    PHE  12           HN       PHE  12  18.083   8.301  -2.337
   92    HA   PHE  12           HA       PHE  12  15.991   9.104  -0.855
   93   1HB   PHE  12           HBS      PHE  12  17.902  11.044  -2.219
   94   2HB   PHE  12           HBR      PHE  12  16.897  11.380  -0.779
   95    HD1  PHE  12           HD2      PHE  12  17.390   9.935   1.356
   96    HD2  PHE  12           HD1      PHE  12  19.948  10.155  -2.045
   97    HE1  PHE  12           HE2      PHE  12  19.281   9.135   2.735
   98    HE2  PHE  12           HE1      PHE  12  21.845   9.384  -0.694
   99    HZ   PHE  12           HZ       PHE  12  21.510   8.846   1.690
  100    H    ALA  13           HN       ALA  13  16.724  10.996  -3.804
  101    HA   ALA  13           HA       ALA  13  14.224  12.034  -3.944
  102   1HB   ALA  13           HMB      ALA  13  16.286  12.940  -4.977
  103   2HB   ALA  13           HMB      ALA  13  16.190  11.680  -6.232
  104   3HB   ALA  13           HMB      ALA  13  14.923  12.926  -6.124
  105    H    GLU  14           HN       GLU  14  14.960   8.907  -4.790
  106    HA   GLU  14           HA       GLU  14  12.396   8.712  -6.289
  107   1HB   GLU  14           HBR      GLU  14  13.266   6.490  -7.080
  108   2HB   GLU  14           HBS      GLU  14  13.815   7.898  -7.810
  109   1HG   GLU  14           HGR      GLU  14  16.028   7.743  -7.101
  110   2HG   GLU  14           HGS      GLU  14  15.500   6.983  -5.574
  111    H    ARG  15           HN       ARG  15  12.789   9.084  -3.521
  112    HA   ARG  15           HA       ARG  15  11.685   6.480  -2.561
  113   1HB   ARG  15           HBR      ARG  15  12.226   8.960  -0.899
  114   2HB   ARG  15           HBS      ARG  15  11.639   7.378  -0.331
  115   1HG   ARG  15           HGS      ARG  15  13.984   6.646  -1.512
  116   2HG   ARG  15           HGR      ARG  15  14.393   8.282  -0.918
  117   1HD   ARG  15           HDS      ARG  15  13.936   7.732   1.284
  118   2HD   ARG  15           HDR      ARG  15  12.993   6.285   0.826
  119    HE   ARG  15           HE       ARG  15  14.990   5.098   0.504
  120   1HH1  ARG  15           HH1      ARG  15  15.640   8.444   1.412
  121   2HH1  ARG  15           HH1      ARG  15  17.202   8.078   2.065
  122   1HH2  ARG  15           HH2      ARG  15  16.993   4.643   1.457
  123   2HH2  ARG  15           HH2      ARG  15  17.989   5.934   2.042
  124    H    VAL  16           HN       VAL  16   9.755   6.776  -1.135
  125    HA   VAL  16           HA       VAL  16   8.458   9.281  -1.151
  126    HB   VAL  16           HB       VAL  16   6.258   8.698  -1.920
  127   1HG1  VAL  16           HMG      VAL  16   7.903   9.577  -3.575
  128   2HG1  VAL  16           HMG      VAL  16   8.189   7.903  -4.110
  129   3HG1  VAL  16           HMG      VAL  16   6.572   8.628  -4.285
  130   1HG2  VAL  16           HMG      VAL  16   6.186   6.349  -1.366
  131   2HG2  VAL  16           HMG      VAL  16   5.759   6.591  -3.078
  132   3HG2  VAL  16           HMG      VAL  16   7.373   5.979  -2.641
  133    H    THR  17           HN       THR  17   7.053   9.463   0.615
  134    HA   THR  17           HA       THR  17   7.613   7.314   2.593
  135    HB   THR  17           HB       THR  17   7.206  10.274   3.275
  136    HG1  THR  17           HG1      THR  17   9.121  10.562   3.110
  137   1HG2  THR  17           HMG      THR  17   7.955   7.869   4.763
  138   2HG2  THR  17           HMG      THR  17   9.096   9.221   4.980
  139   3HG2  THR  17           HMG      THR  17   7.365   9.448   5.343
  140    H    SER  18           HN       SER  18   6.109   6.606   3.965
  141    HA   SER  18           HA       SER  18   3.414   7.518   4.203
  142   1HB   SER  18           HBS      SER  18   3.672   6.938   1.692
  143   2HB   SER  18           HBR      SER  18   3.644   5.241   2.246
  144    HG   SER  18           HG       SER  18   1.716   5.998   3.584
  145    H    LEU  19           HN       LEU  19   2.435   6.434   5.757
  146    HA   LEU  19           HA       LEU  19   2.408   5.270   7.726
  147   1HB   LEU  19           HBR      LEU  19   3.342   3.165   5.755
  148   2HB   LEU  19           HBS      LEU  19   2.818   2.818   7.426
  149    HG   LEU  19           HG       LEU  19   1.002   2.276   6.032
  150   1HD1  LEU  19           HMD      LEU  19   0.571   3.798   8.060
  151   2HD1  LEU  19           HMD      LEU  19   0.315   5.095   6.867
  152   3HD1  LEU  19           HMD      LEU  19  -0.721   3.645   6.842
  153   1HD2  LEU  19           HMD      LEU  19   2.123   3.942   4.237
  154   2HD2  LEU  19           HMD      LEU  19   0.448   3.353   4.114
  155   3HD2  LEU  19           HMD      LEU  19   0.776   4.969   4.790
  156    H    GLY  20           HN       GLY  20   4.985   6.604   6.729
  157   1HA   GLY  20           HAR      GLY  20   6.616   7.318   8.244
  158   2HA   GLY  20           HAS      GLY  20   6.405   5.810   9.173
  159    H    LYS  21           HN       LYS  21   6.559   4.439   6.367
  160    HA   LYS  21           HA       LYS  21   9.537   4.289   6.347
  161   1HB   LYS  21           HBS      LYS  21   7.473   2.112   6.005
  162   2HB   LYS  21           HBR      LYS  21   9.089   1.993   5.253
  163   1HG   LYS  21           HGR      LYS  21  10.145   1.640   7.248
  164   2HG   LYS  21           HGS      LYS  21   9.000   2.663   8.161
  165   1HD   LYS  21           HDR      LYS  21   8.280  -0.035   7.058
  166   2HD   LYS  21           HDS      LYS  21   9.007   0.157   8.630
  167   1HE   LYS  21           HES      LYS  21   6.658   1.876   8.092
  168   2HE   LYS  21           HER      LYS  21   6.356   0.115   8.135
  169   1HZ   LYS  21           HZA      LYS  21   7.808   0.368  10.276
  170   2HZ   LYS  21           HZB      LYS  21   7.201   1.885  10.259
  171   3HZ   LYS  21           HZC      LYS  21   6.191   0.601  10.308
  172    H    ASP  22           HN       ASP  22  10.456   3.919   4.262
  173    HA   ASP  22           HA       ASP  22   9.083   5.614   2.376
  174   1HB   ASP  22           HBS      ASP  22  11.846   4.511   2.015
  175   2HB   ASP  22           HBR      ASP  22  11.147   6.051   1.435
  176    H    TRP  23           HN       TRP  23   9.319   5.230   0.016
  177    HA   TRP  23           HA       TRP  23   9.253   2.371  -0.787
  178   1HB   TRP  23           HBR      TRP  23   7.234   4.494  -1.525
  179   2HB   TRP  23           HBS      TRP  23   7.162   2.737  -1.877
  180    HD1  TRP  23           HD1      TRP  23   6.819   5.244   1.044
  181    HE1  TRP  23           HE1      TRP  23   5.140   4.275   2.734
  182    HE3  TRP  23           HE3      TRP  23   6.165   0.674  -1.091
  183    HZ2  TRP  23           HZ2      TRP  23   3.683   1.899   3.047
  184    HZ3  TRP  23           HZ3      TRP  23   4.681  -0.936   0.015
  185    HH2  TRP  23           HH2      TRP  23   3.373  -0.304   1.974
  186    H    HIS  24           HN       ZHI  24   9.445   2.038  -3.080
  187    HA   HIS  24           HA       ZHI  24  10.951   4.017  -4.540
  188   1HB   HIS  24           HBS      ZHI  24   9.649   1.449  -5.545
  189   2HB   HIS  24           HBR      ZHI  24  10.763   2.493  -6.477
  190    HD2  HIS  24           HD2      ZHI  24  13.077   2.975  -4.324
  191    HE1  HIS  24           HE1      ZHI  24  12.877  -1.032  -3.155
  192    HE2  HIS  24           HE2      ZHI  24  14.392   0.968  -3.359
  193    H    ARG  25           HN       ARG  25  10.332   5.501  -5.936
  194    HA   ARG  25           HA       ARG  25   7.776   6.521  -5.872
  195   1HB   ARG  25           HBR      ARG  25  10.217   7.079  -7.345
  196   2HB   ARG  25           HBS      ARG  25   8.775   7.336  -8.369
  197   1HG   ARG  25           HGR      ARG  25   7.869   8.922  -6.795
  198   2HG   ARG  25           HGS      ARG  25   9.171   8.569  -5.624
  199   1HD   ARG  25           HDS      ARG  25   9.489  10.668  -6.892
  200   2HD   ARG  25           HDR      ARG  25  10.818   9.488  -7.080
  201    HE   ARG  25           HE       ARG  25   8.860   9.226  -9.170
  202   1HH1  ARG  25           HH1      ARG  25  11.385  11.434  -8.085
  203   2HH1  ARG  25           HH1      ARG  25  11.872  11.841  -9.697
  204   1HH2  ARG  25           HH2      ARG  25   9.607   9.687 -11.260
  205   2HH2  ARG  25           HH2      ARG  25  10.866  10.855 -11.494
  206    HA   PRO  26           HA       PRO  26   6.953   4.145 -10.032
  207   1HB   PRO  26           HBR      PRO  26   8.688   1.945  -9.925
  208   2HB   PRO  26           HBS      PRO  26   8.408   2.960 -11.186
  209   1HG   PRO  26           HGS      PRO  26  10.631   2.917  -9.754
  210   2HG   PRO  26           HGR      PRO  26  10.160   4.185 -10.731
  211   1HD   PRO  26           HDS      PRO  26  10.143   4.044  -7.932
  212   2HD   PRO  26           HDR      PRO  26  10.039   5.387  -8.893
  213    H    CYS  27           HN       CYS  27   7.856   2.494  -7.163
  214    HA   CYS  27           HA       CYS  27   6.240   0.222  -7.630
  215   1HB   CYS  27           HBS      CYS  27   7.802   1.331  -5.360
  216   2HB   CYS  27           HBR      CYS  27   6.514   0.163  -4.955
  217    H    LEU  28           HN       LEU  28   5.673   3.170  -5.721
  218    HA   LEU  28           HA       LEU  28   3.496   2.183  -4.246
  219   1HB   LEU  28           HBR      LEU  28   5.040   4.207  -3.919
  220   2HB   LEU  28           HBS      LEU  28   3.909   5.080  -4.991
  221    HG   LEU  28           HG       LEU  28   2.116   4.262  -3.265
  222   1HD1  LEU  28           HMD      LEU  28   4.163   3.013  -2.090
  223   2HD1  LEU  28           HMD      LEU  28   4.345   4.604  -1.310
  224   3HD1  LEU  28           HMD      LEU  28   2.812   3.709  -1.161
  225   1HD2  LEU  28           HMD      LEU  28   3.603   6.577  -3.746
  226   2HD2  LEU  28           HMD      LEU  28   2.093   6.449  -2.807
  227   3HD2  LEU  28           HMD      LEU  28   3.668   6.362  -1.978
  228    H    LYS  29           HN       LYS  29   2.112   1.077  -5.611
  229    HA   LYS  29           HA       LYS  29   0.372   2.726  -7.368
  230   1HB   LYS  29           HBS      LYS  29   2.017   0.312  -8.174
  231   2HB   LYS  29           HBR      LYS  29   0.585   0.876  -9.081
  232   1HG   LYS  29           HGS      LYS  29   2.177   3.168  -8.736
  233   2HG   LYS  29           HGR      LYS  29   3.327   1.857  -9.128
  234   1HD   LYS  29           HDS      LYS  29   0.947   2.843 -10.713
  235   2HD   LYS  29           HDR      LYS  29   2.637   2.974 -11.119
  236   1HE   LYS  29           HER      LYS  29   0.941   0.502 -11.085
  237   2HE   LYS  29           HES      LYS  29   1.788   1.251 -12.469
  238   1HZ   LYS  29           HZC      LYS  29   3.861   0.697 -11.379
  239   2HZ   LYS  29           HZA      LYS  29   3.066  -0.030 -10.152
  240   3HZ   LYS  29           HZB      LYS  29   2.975  -0.645 -11.661
  241    H    CYS  30           HN       CYS  30  -1.662   1.960  -7.626
  242    HA   CYS  30           HA       CYS  30  -2.761   0.093  -5.735
  243   1HB   CYS  30           HBS      CYS  30  -3.895   2.041  -7.010
  244   2HB   CYS  30           HBR      CYS  30  -4.097   0.833  -8.313
  245    H    GLU  31           HN       GLU  31  -2.856  -2.007  -5.781
  246    HA   GLU  31           HA       GLU  31  -2.196  -3.488  -8.267
  247   1HB   GLU  31           HBS      GLU  31  -1.900  -3.766  -5.469
  248   2HB   GLU  31           HBR      GLU  31  -2.862  -5.058  -5.939
  249   1HG   GLU  31           HGS      GLU  31  -0.717  -4.769  -7.840
  250   2HG   GLU  31           HGR      GLU  31   0.033  -4.697  -6.223
  251    H    LYS  32           HN       LYS  32  -4.736  -1.913  -7.643
  252    HA   LYS  32           HA       LYS  32  -6.702  -4.151  -7.819
  253   1HB   LYS  32           HBS      LYS  32  -6.364  -2.268  -5.770
  254   2HB   LYS  32           HBR      LYS  32  -7.756  -1.677  -6.719
  255   1HG   LYS  32           HGR      LYS  32  -8.504  -3.117  -4.888
  256   2HG   LYS  32           HGS      LYS  32  -8.852  -3.879  -6.467
  257   1HD   LYS  32           HDS      LYS  32  -7.573  -5.632  -6.061
  258   2HD   LYS  32           HDR      LYS  32  -6.253  -4.642  -5.506
  259   1HE   LYS  32           HES      LYS  32  -6.705  -4.963  -3.349
  260   2HE   LYS  32           HER      LYS  32  -8.462  -4.763  -3.607
  261   1HZ   LYS  32           HZC      LYS  32  -8.244  -7.056  -4.675
  262   2HZ   LYS  32           HZA      LYS  32  -6.845  -7.176  -3.841
  263   3HZ   LYS  32           HZB      LYS  32  -8.253  -6.951  -3.044
  264    H    CYS  33           HN       CYS  33  -6.006  -0.746  -8.638
  265    HA   CYS  33           HA       CYS  33  -7.607  -1.228 -11.106
  266   1HB   CYS  33           HBS      CYS  33  -8.101   1.121 -11.218
  267   2HB   CYS  33           HBR      CYS  33  -8.675   0.390  -9.694
  268    H    GLY  34           HN       GLY  34  -4.512  -0.705  -9.851
  269   1HA   GLY  34           HAR      GLY  34  -2.460  -0.499 -10.877
  270   2HA   GLY  34           HAS      GLY  34  -3.308  -0.766 -12.423
  271    H    LYS  35           HN       LYS  35  -3.873   1.847 -10.075
  272    HA   LYS  35           HA       LYS  35  -2.825   3.810 -12.062
  273   1HB   LYS  35           HBR      LYS  35  -5.106   3.844 -10.179
  274   2HB   LYS  35           HBS      LYS  35  -4.098   5.320 -10.187
  275   1HG   LYS  35           HGS      LYS  35  -5.558   4.061 -12.538
  276   2HG   LYS  35           HGR      LYS  35  -5.908   5.626 -11.750
  277   1HD   LYS  35           HDR      LYS  35  -4.734   6.450 -13.442
  278   2HD   LYS  35           HDS      LYS  35  -3.356   6.046 -12.455
  279   1HE   LYS  35           HES      LYS  35  -2.602   4.829 -14.162
  280   2HE   LYS  35           HER      LYS  35  -3.955   3.705 -13.861
  281   1HZ   LYS  35           HZA      LYS  35  -4.813   5.953 -15.307
  282   2HZ   LYS  35           HZB      LYS  35  -3.559   5.245 -16.079
  283   3HZ   LYS  35           HZC      LYS  35  -4.892   4.373 -15.715
  284    H    THR  36           HN       THR  36  -1.122   4.995 -11.564
  285    HA   THR  36           HA       THR  36   0.519   4.511  -9.358
  286    HB   THR  36           HB       THR  36   0.385   7.031 -11.108
  287    HG1  THR  36           HG1      THR  36   0.732   5.726 -12.310
  288   1HG2  THR  36           HMG      THR  36   2.252   6.226  -8.955
  289   2HG2  THR  36           HMG      THR  36   2.996   6.810 -10.466
  290   3HG2  THR  36           HMG      THR  36   1.841   7.842  -9.585
  291    H    LEU  37           HN       LEU  37   0.994   5.624  -7.488
  292    HA   LEU  37           HA       LEU  37  -1.415   6.913  -6.346
  293   1HB   LEU  37           HBR      LEU  37   0.828   5.262  -5.143
  294   2HB   LEU  37           HBS      LEU  37  -0.540   5.964  -4.230
  295    HG   LEU  37           HG       LEU  37  -0.733   3.856  -6.399
  296   1HD1  LEU  37           HMD      LEU  37  -0.794   3.777  -3.382
  297   2HD1  LEU  37           HMD      LEU  37  -1.609   2.535  -4.366
  298   3HD1  LEU  37           HMD      LEU  37   0.152   2.776  -4.513
  299   1HD2  LEU  37           HMD      LEU  37  -2.611   5.574  -6.086
  300   2HD2  LEU  37           HMD      LEU  37  -3.052   3.850  -5.981
  301   3HD2  LEU  37           HMD      LEU  37  -2.874   4.817  -4.496
  302    H    THR  38           HN       THR  38  -1.356   8.785  -5.278
  303    HA   THR  38           HA       THR  38   0.970  10.444  -5.958
  304    HB   THR  38           HB       THR  38  -1.437  11.058  -6.614
  305    HG1  THR  38           HG1      THR  38  -0.773  12.725  -6.761
  306   1HG2  THR  38           HMG      THR  38  -1.686  11.298  -3.657
  307   2HG2  THR  38           HMG      THR  38  -2.414  12.585  -4.653
  308   3HG2  THR  38           HMG      THR  38  -2.907  10.888  -4.890
  309    H    SER  39           HN       SER  39   0.732  12.524  -4.244
  310    HA   SER  39           HA       SER  39   2.638  11.699  -2.446
  311   1HB   SER  39           HBR      SER  39   1.009  14.204  -2.689
  312   2HB   SER  39           HBS      SER  39   2.080  13.970  -1.278
  313    HG   SER  39           HG       SER  39   2.576  14.395  -4.033
  314    H    GLY  40           HN       GLY  40  -0.832  11.938  -1.968
  315   1HA   GLY  40           HAR      GLY  40  -0.793  10.318   0.448
  316   2HA   GLY  40           HAS      GLY  40  -1.040  12.054   0.769
  317    H    GLY  41           HN       GLY  41  -2.141   9.751  -1.761
  318   1HA   GLY  41           HAR      GLY  41  -4.906  10.018  -0.672
  319   2HA   GLY  41           HAS      GLY  41  -4.617  10.152  -2.426
  320    H    HIS  42           HN       HIS  42  -2.336   8.032  -1.268
  321    HA   HIS  42           HA       HIS  42  -4.019   5.700  -1.806
  322   1HB   HIS  42           HBS      HIS  42  -2.000   4.452  -2.117
  323   2HB   HIS  42           HBR      HIS  42  -1.840   6.006  -2.986
  324    HD1  HIS  42           HD1      HIS  42  -0.122   3.902  -0.456
  325    HD2  HIS  42           HD2      HIS  42  -0.164   7.905  -1.603
  326    HE1  HIS  42           HE1      HIS  42   1.772   5.006   0.761
  327    HE2  HIS  42           HE2      HIS  42   1.816   7.403  -0.015
  328    H    ALA  43           HN       ALA  43  -2.673   3.696  -0.585
  329    HA   ALA  43           HA       ALA  43  -2.133   4.301   2.183
  330   1HB   ALA  43           HMB      ALA  43  -4.738   3.309   1.534
  331   2HB   ALA  43           HMB      ALA  43  -3.828   2.036   2.384
  332   3HB   ALA  43           HMB      ALA  43  -4.023   3.642   3.132
  333    H    GLU  44           HN       GLU  44  -1.941   1.812   3.212
  334    HA   GLU  44           HA       GLU  44  -0.780   0.027   1.139
  335   1HB   GLU  44           HBS      GLU  44   1.002  -0.523   2.486
  336   2HB   GLU  44           HBR      GLU  44   1.057   1.137   2.261
  337   1HG   GLU  44           HGR      GLU  44   0.189   1.479   4.639
  338   2HG   GLU  44           HGS      GLU  44  -0.074  -0.285   4.699
  339    H    HIS  45           HN       HIS  45  -1.371  -2.039   1.336
  340    HA   HIS  45           HA       HIS  45  -2.537  -2.942   3.911
  341   1HB   HIS  45           HBS      HIS  45  -4.200  -3.359   2.109
  342   2HB   HIS  45           HBR      HIS  45  -2.959  -4.248   1.181
  343    HD1  HIS  45           HD1      HIS  45  -4.790  -4.528   4.563
  344    HD2  HIS  45           HD2      HIS  45  -2.649  -6.849   1.847
  345    HE1  HIS  45           HE1      HIS  45  -4.950  -6.894   5.375
  346    HE2  HIS  45           HE2      HIS  45  -3.680  -8.306   3.720
  347    H    GLU  46           HN       GLU  46  -1.821  -5.172   4.426
  348    HA   GLU  46           HA       GLU  46   0.857  -4.836   4.932
  349   1HB   GLU  46           HBR      GLU  46  -0.895  -7.296   5.041
  350   2HB   GLU  46           HBS      GLU  46   0.696  -7.286   5.575
  351   1HG   GLU  46           HGR      GLU  46  -0.188  -5.052   6.947
  352   2HG   GLU  46           HGS      GLU  46  -1.641  -6.087   6.865
  353    H    GLY  47           HN       GLY  47   2.127  -4.553   3.137
  354   1HA   GLY  47           HAR      GLY  47   3.758  -6.160   1.920
  355   2HA   GLY  47           HAS      GLY  47   2.272  -6.753   1.130
  356    H    LYS  48           HN       LYS  48   0.853  -4.411   0.761
  357    HA   LYS  48           HA       LYS  48   2.492  -3.044  -1.313
  358   1HB   LYS  48           HBR      LYS  48  -0.156  -4.264  -2.034
  359   2HB   LYS  48           HBS      LYS  48   1.209  -3.786  -3.083
  360   1HG   LYS  48           HGR      LYS  48   1.731  -5.960  -3.186
  361   2HG   LYS  48           HGS      LYS  48   2.268  -5.817  -1.487
  362   1HD   LYS  48           HDR      LYS  48   0.194  -6.541  -0.658
  363   2HD   LYS  48           HDS      LYS  48  -0.586  -6.433  -2.212
  364   1HE   LYS  48           HER      LYS  48   0.018  -8.736  -1.367
  365   2HE   LYS  48           HES      LYS  48   0.546  -8.345  -3.028
  366   1HZ   LYS  48           HZB      LYS  48   2.481  -7.636  -1.097
  367   2HZ   LYS  48           HZC      LYS  48   2.119  -9.226  -1.008
  368   3HZ   LYS  48           HZA      LYS  48   2.633  -8.583  -2.419
  369    HA   PRO  49           HA       PRO  49  -0.290   0.306  -0.571
  370   1HB   PRO  49           HBR      PRO  49   0.383   1.715  -2.738
  371   2HB   PRO  49           HBS      PRO  49   1.136   1.829  -1.282
  372   1HG   PRO  49           HGS      PRO  49   2.068   0.640  -3.619
  373   2HG   PRO  49           HGR      PRO  49   2.943   1.127  -2.284
  374   1HD   PRO  49           HDS      PRO  49   2.285  -1.425  -2.918
  375   2HD   PRO  49           HDR      PRO  49   2.959  -0.917  -1.496
  376    H    TYR  50           HN       TYR  50  -2.097   1.446  -1.430
  377    HA   TYR  50           HA       TYR  50  -2.995   0.707  -4.064
  378   1HB   TYR  50           HBR      TYR  50  -4.717  -0.103  -1.690
  379   2HB   TYR  50           HBS      TYR  50  -5.255  -0.057  -3.392
  380    HD1  TYR  50           HD2      TYR  50  -2.940  -1.740  -1.028
  381    HD2  TYR  50           HD1      TYR  50  -4.883  -1.936  -4.805
  382    HE1  TYR  50           HE2      TYR  50  -2.298  -4.099  -1.226
  383    HE2  TYR  50           HE1      TYR  50  -4.301  -4.316  -4.989
  384    HH   TYR  50           HH       TYR  50  -3.731  -6.229  -3.023
  385    H    CYS  51           HN       CYS  51  -5.256   1.806  -4.402
  386    HA   CYS  51           HA       CYS  51  -5.518   4.431  -3.572
  387   1HB   CYS  51           HBS      CYS  51  -7.730   2.428  -4.085
  388   2HB   CYS  51           HBR      CYS  51  -7.971   4.185  -3.882
  389    H    ASN  52           HN       ASN  52  -5.832   5.457  -1.776
  390    HA   ASN  52           HA       ASN  52  -6.653   4.302   0.705
  391   1HB   ASN  52           HBS      ASN  52  -5.445   6.533   0.259
  392   2HB   ASN  52           HBR      ASN  52  -7.092   7.186   0.020
  393   1HD2  ASN  52           HD2      ASN  52  -5.916   5.846   3.758
  394   2HD2  ASN  52           HD2      ASN  52  -5.164   5.219   2.329
  395    H    HIS  53           HN       HIS  53  -8.363   5.687  -2.042
  396    HA   HIS  53           HA       HIS  53 -10.477   3.798  -1.507
  397   1HB   HIS  53           HBS      HIS  53 -11.111   6.769  -1.371
  398   2HB   HIS  53           HBR      HIS  53 -12.309   5.567  -1.928
  399    HD1  HIS  53           HD1      HIS  53 -13.589   4.310  -0.100
  400    HD2  HIS  53           HD2      HIS  53 -10.325   6.456   1.347
  401    HE1  HIS  53           HE1      HIS  53 -13.820   4.352   2.395
  402    HE2  HIS  53           HE2      HIS  53 -11.858   5.665   3.276
  403    HA   PRO  54           HA       PRO  54 -12.450   3.686  -2.234
  404   1HB   PRO  54           HBR      PRO  54 -13.701   2.040  -3.931
  405   2HB   PRO  54           HBS      PRO  54 -14.233   3.536  -3.511
  406   1HG   PRO  54           HGS      PRO  54 -13.221   2.720  -5.940
  407   2HG   PRO  54           HGR      PRO  54 -13.942   4.177  -5.571
  408   1HD   PRO  54           HDS      PRO  54 -11.252   3.672  -5.898
  409   2HD   PRO  54           HDR      PRO  54 -11.974   5.130  -5.599
  410    H    CYS  55           HN       CYS  55 -10.124   2.244  -4.123
  411    HA   CYS  55           HA       CYS  55 -10.882  -0.362  -4.045
  412   1HB   CYS  55           HBS      CYS  55  -8.029   0.655  -4.124
  413   2HB   CYS  55           HBR      CYS  55  -8.583  -0.973  -4.612
  414    H    TYR  56           HN       TYR  56  -8.950   1.314  -1.598
  415    HA   TYR  56           HA       TYR  56  -8.111  -1.051  -0.155
  416   1HB   TYR  56           HBR      TYR  56  -6.912   1.077   0.055
  417   2HB   TYR  56           HBS      TYR  56  -8.373   1.846   0.738
  418    HD1  TYR  56           HD2      TYR  56  -9.128   1.255   3.001
  419    HD2  TYR  56           HD1      TYR  56  -5.505  -0.338   1.444
  420    HE1  TYR  56           HE2      TYR  56  -8.493   0.521   5.254
  421    HE2  TYR  56           HE1      TYR  56  -4.845  -1.057   3.699
  422    HH   TYR  56           HH       TYR  56  -5.818  -1.713   5.703
  423    H    SER  57           HN       SER  57 -10.495   1.519   0.609
  424    HA   SER  57           HA       SER  57 -11.594   0.136   2.782
  425   1HB   SER  57           HBS      SER  57 -11.859   2.505   2.571
  426   2HB   SER  57           HBR      SER  57 -12.810   2.322   1.069
  427    HG   SER  57           HG       SER  57 -13.409   1.290   3.727
  428    H    ALA  58           HN       ALA  58 -12.166  -0.210  -0.611
  429    HA   ALA  58           HA       ALA  58 -14.831  -1.392  -0.193
  430   1HB   ALA  58           HMB      ALA  58 -13.317  -0.555  -2.680
  431   2HB   ALA  58           HMB      ALA  58 -14.970  -1.219  -2.656
  432   3HB   ALA  58           HMB      ALA  58 -14.624   0.337  -1.860
  433    H    MET  59           HN       MET  59 -11.689  -2.190  -1.688
  434    HA   MET  59           HA       MET  59 -12.801  -4.794  -2.490
  435   1HB   MET  59           HBR      MET  59 -10.401  -3.205  -3.441
  436   2HB   MET  59           HBS      MET  59 -10.841  -4.831  -4.036
  437   1HG   MET  59           HGR      MET  59 -12.923  -4.045  -4.911
  438   2HG   MET  59           HGS      MET  59 -12.767  -2.471  -4.093
  439   1HE   MET  59           HME      MET  59 -12.395  -4.452  -7.026
  440   2HE   MET  59           HME      MET  59 -11.247  -3.659  -8.134
  441   3HE   MET  59           HME      MET  59 -10.647  -4.755  -6.866
  442    H    PHE  60           HN       PHE  60 -10.687  -3.478  -0.165
  443    HA   PHE  60           HA       PHE  60  -9.441  -6.090   0.425
  444   1HB   PHE  60           HBR      PHE  60  -9.166  -3.338   1.587
  445   2HB   PHE  60           HBS      PHE  60  -8.983  -4.728   2.696
  446    HD1  PHE  60           HD1      PHE  60  -7.660  -6.715   1.479
  447    HD2  PHE  60           HD2      PHE  60  -7.087  -2.565   0.700
  448    HE1  PHE  60           HE1      PHE  60  -5.443  -7.215   0.554
  449    HE2  PHE  60           HE2      PHE  60  -4.844  -3.042  -0.228
  450    HZ   PHE  60           HZ       PHE  60  -4.060  -5.391  -0.360
  451    H    GLY  61           HN       GLY  61 -11.382  -7.271   0.533
  452   1HA   GLY  61           HAR      GLY  61 -12.784  -7.842   2.793
  453   2HA   GLY  61           HAS      GLY  61 -13.574  -6.340   2.234
  454    HA   PRO  62           HA       PRO  62 -13.498  -9.786  -1.213
  455   1HB   PRO  62           HBR      PRO  62 -14.084 -12.188   0.056
  456   2HB   PRO  62           HBS      PRO  62 -12.796 -11.843  -0.900
  457   1HG   PRO  62           HGS      PRO  62 -12.848 -12.042   1.835
  458   2HG   PRO  62           HGR      PRO  62 -11.516 -11.824   0.853
  459   1HD   PRO  62           HDS      PRO  62 -12.536  -9.966   2.497
  460   2HD   PRO  62           HDR      PRO  62 -11.471  -9.667   1.267
  461    H    LYS  63           HN       LYS  63 -15.189 -11.361  -2.168
  462    HA   LYS  63           HA       LYS  63 -17.397 -11.759  -2.674
  463   1HB   LYS  63           HBR      LYS  63 -17.540 -12.114  -0.075
  464   2HB   LYS  63           HBS      LYS  63 -18.335 -10.513  -0.105
  465   1HG   LYS  63           HGR      LYS  63 -20.065 -12.164  -0.178
  466   2HG   LYS  63           HGS      LYS  63 -19.946 -11.454  -1.814
  467   1HD   LYS  63           HDS      LYS  63 -18.435 -13.406  -2.399
  468   2HD   LYS  63           HDR      LYS  63 -18.911 -14.114  -0.878
  469   1HE   LYS  63           HES      LYS  63 -20.575 -13.624  -3.310
  470   2HE   LYS  63           HER      LYS  63 -20.353 -15.109  -2.341
  471   1HZ   LYS  63           HZC      LYS  63 -21.570 -14.010  -0.571
  472   2HZ   LYS  63           HZA      LYS  63 -21.826 -12.702  -1.516
  473   3HZ   LYS  63           HZB      LYS  63 -22.478 -14.144  -1.922
  474    H    GLY  64           HN       GLY  64 -18.006 -10.471  -4.239
  475   1HA   GLY  64           HAS      GLY  64 -19.623  -8.871  -4.914
  476   2HA   GLY  64           HAR      GLY  64 -19.227  -7.880  -3.484
  477    H    PHE  65           HN       PHE  65 -17.730  -9.171  -6.474
  478    HA   PHE  65           HA       PHE  65 -17.239  -6.672  -7.661
  479   1HB   PHE  65           HBS      PHE  65 -15.630  -6.314  -5.780
  480   2HB   PHE  65           HBR      PHE  65 -14.730  -7.762  -6.316
  481    HD1  PHE  65           HD2      PHE  65 -15.631  -4.255  -7.283
  482    HD2  PHE  65           HD1      PHE  65 -13.339  -7.746  -8.131
  483    HE1  PHE  65           HE2      PHE  65 -14.323  -2.983  -8.952
  484    HE2  PHE  65           HE1      PHE  65 -12.029  -6.507  -9.795
  485    HZ   PHE  65           HZ       PHE  65 -12.559  -4.142 -10.252
  486    H    GLY  66           HN       GLY  66 -15.837  -6.829  -9.539
  487   1HA   GLY  66           HAR      GLY  66 -14.311  -8.050 -10.906
  488   2HA   GLY  66           HAS      GLY  66 -14.982  -9.576 -10.271
  489    H    ARG  67           HN       ARG  67 -16.454 -10.609 -11.444
  490    HA   ARG  67           HA       ARG  67 -16.749  -9.923 -14.131
  491   1HB   ARG  67           HBR      ARG  67 -18.683 -11.761 -12.718
  492   2HB   ARG  67           HBS      ARG  67 -18.063 -11.839 -14.392
  493   1HG   ARG  67           HGS      ARG  67 -16.530 -12.443 -11.842
  494   2HG   ARG  67           HGR      ARG  67 -17.081 -13.615 -13.072
  495   1HD   ARG  67           HDS      ARG  67 -15.192 -11.333 -13.634
  496   2HD   ARG  67           HDR      ARG  67 -14.668 -12.982 -13.189
  497    HE   ARG  67           HE       ARG  67 -16.463 -13.147 -15.376
  498   1HH1  ARG  67           HH1      ARG  67 -13.129 -12.336 -14.561
  499   2HH1  ARG  67           HH1      ARG  67 -12.576 -12.497 -16.195
  500   1HH2  ARG  67           HH2      ARG  67 -15.728 -13.222 -17.519
  501   2HH2  ARG  67           HH2      ARG  67 -14.046 -13.001 -17.869
  502    H    GLY  68           HN       GLY  68 -18.400  -9.182 -15.394
  503   1HA   GLY  68           HAS      GLY  68 -21.008  -8.992 -15.140
  504   2HA   GLY  68           HAR      GLY  68 -20.562  -7.640 -14.065
  505    H    GLY  69           HN       GLY  69 -19.084  -8.787 -17.114
  506   1HA   GLY  69           HAS      GLY  69 -19.310  -5.998 -18.157
  507   2HA   GLY  69           HAR      GLY  69 -17.912  -7.078 -18.409
  508    H    ALA  70           HN       ALA  70 -18.002  -7.012 -20.631
  509    HA   ALA  70           HA       ALA  70 -18.592  -7.682 -22.742
  510   1HB   ALA  70           HMB      ALA  70 -19.862  -9.663 -21.035
  511   2HB   ALA  70           HMB      ALA  70 -20.819  -9.330 -22.501
  512   3HB   ALA  70           HMB      ALA  70 -19.116  -9.833 -22.644
  513    H    GLU  71           HN       GLU  71 -19.800  -6.705 -24.238
  514    HA   GLU  71           HA       GLU  71 -21.271  -4.485 -23.446
  515   1HB   GLU  71           HBS      GLU  71 -21.121  -6.033 -25.992
  516   2HB   GLU  71           HBR      GLU  71 -21.979  -4.591 -25.947
  517   1HG   GLU  71           HGS      GLU  71 -19.076  -4.881 -25.102
  518   2HG   GLU  71           HGR      GLU  71 -19.483  -4.484 -26.794
  519    H    SER  72           HN       SER  72 -22.965  -4.913 -22.098
  520    HA   SER  72           HA       SER  72 -25.405  -5.892 -23.488
  521   1HB   SER  72           HBS      SER  72 -25.017  -6.423 -20.566
  522   2HB   SER  72           HBR      SER  72 -26.048  -7.259 -21.763
  523    HG   SER  72           HG       SER  72 -24.469  -8.416 -22.547
  524    H    HIS  73           HN       HIS  73 -24.085  -4.100 -20.695
  525    HA   HIS  73           HA       HIS  73 -26.384  -2.695 -20.019
  526   1HB   HIS  73           HBS      HIS  73 -24.675  -0.807 -19.328
  527   2HB   HIS  73           HBR      HIS  73 -24.739  -2.358 -18.443
  528    HD1  HIS  73           HD1      HIS  73 -22.215  -2.336 -17.740
  529    HD2  HIS  73           HD2      HIS  73 -22.837  -2.011 -21.846
  530    HE1  HIS  73           HE1      HIS  73 -19.955  -2.489 -18.811
  531    HE2  HIS  73           HE2      HIS  73 -20.321  -2.271 -21.294
  532    H    THR  74           HN       THR  74 -26.804  -0.365 -20.259
  533    HA   THR  74           HA       THR  74 -26.264   0.606 -23.012
  534    HB   THR  74           HB       THR  74 -28.962   1.114 -22.784
  535    HG1  THR  74           HG1      THR  74 -29.219   0.232 -21.143
  536   1HG2  THR  74           HMG      THR  74 -27.454  -1.106 -24.093
  537   2HG2  THR  74           HMG      THR  74 -29.234  -1.184 -24.067
  538   3HG2  THR  74           HMG      THR  74 -28.414   0.212 -24.811
  539    H    PHE  75           HN       PHE  75 -28.231   1.320 -20.098
  540    HA   PHE  75           HA       PHE  75 -28.613   3.263 -18.953
  541   1HB   PHE  75           HBR      PHE  75 -26.084   4.241 -20.342
  542   2HB   PHE  75           HBS      PHE  75 -27.068   5.244 -19.237
  543    HD1  PHE  75           HD2      PHE  75 -27.762   3.077 -17.175
  544    HD2  PHE  75           HD1      PHE  75 -24.143   4.135 -19.160
  545    HE1  PHE  75           HE2      PHE  75 -26.461   2.100 -15.312
  546    HE2  PHE  75           HE1      PHE  75 -22.830   3.170 -17.325
  547    HZ   PHE  75           HZ       PHE  75 -23.985   2.098 -15.429
  548    H    LYS  76           HN       LYS  76 -27.224   4.623 -21.943
  549    HA   LYS  76           HA       LYS  76 -29.930   5.023 -23.027
  550   1HB   LYS  76           HBS      LYS  76 -27.929   7.277 -22.675
  551   2HB   LYS  76           HBR      LYS  76 -29.341   7.334 -23.768
  552   1HG   LYS  76           HGR      LYS  76 -30.025   6.558 -21.011
  553   2HG   LYS  76           HGS      LYS  76 -29.289   8.183 -21.134
  554   1HD   LYS  76           HDS      LYS  76 -31.021   9.069 -22.244
  555   2HD   LYS  76           HDR      LYS  76 -31.325   7.615 -23.154
  556   1HE   LYS  76           HES      LYS  76 -32.143   6.685 -20.825
  557   2HE   LYS  76           HER      LYS  76 -32.364   8.427 -20.500
  558   1HZ   LYS  76           HZC      LYS  76 -33.360   7.729 -23.032
  559   2HZ   LYS  76           HZA      LYS  76 -34.048   6.792 -21.884
  560   3HZ   LYS  76           HZB      LYS  76 -34.137   8.419 -21.773
   
  No H/Q in entry =         560
  Start of MODEL   29
    1    H    PRO   1           HN       PRO   1  13.587   1.819   5.926
    2    HA   PRO   1           HA       PRO   1  14.144   3.599   4.532
    3   1HB   PRO   1           HBR      PRO   1  16.734   3.239   3.889
    4   2HB   PRO   1           HBS      PRO   1  16.160   4.398   4.901
    5   1HG   PRO   1           HGS      PRO   1  17.521   2.054   5.550
    6   2HG   PRO   1           HGR      PRO   1  17.333   3.434   6.469
    7   1HD   PRO   1           HDR      PRO   1  16.035   1.132   6.885
    8   2HD   PRO   1           HDS      PRO   1  15.586   2.595   7.510
    9    H    LYS   2           HN       LYS   2  13.653   0.613   4.346
   10    HA   LYS   2           HA       LYS   2  14.447   0.300   1.489
   11   1HB   LYS   2           HBR      LYS   2  14.549  -2.084   1.900
   12   2HB   LYS   2           HBS      LYS   2  15.629  -1.209   3.022
   13   1HG   LYS   2           HGS      LYS   2  12.865  -1.839   3.981
   14   2HG   LYS   2           HGR      LYS   2  14.013  -3.199   3.818
   15   1HD   LYS   2           HDS      LYS   2  14.494  -0.646   5.379
   16   2HD   LYS   2           HDR      LYS   2  13.868  -2.121   6.062
   17   1HE   LYS   2           HER      LYS   2  15.944  -3.275   5.167
   18   2HE   LYS   2           HES      LYS   2  16.604  -1.633   4.928
   19   1HZ   LYS   2           HZB      LYS   2  16.186  -1.237   7.272
   20   2HZ   LYS   2           HZC      LYS   2  15.663  -2.772   7.470
   21   3HZ   LYS   2           HZA      LYS   2  17.217  -2.485   7.055
   22    H    CYS   3           HN       CYS   3  13.062  -0.889   0.130
   23    HA   CYS   3           HA       CYS   3  10.465   0.125   0.430
   24   1HB   CYS   3           HBS      CYS   3  11.857  -0.016  -1.637
   25   2HB   CYS   3           HBR      CYS   3  11.486  -1.762  -1.697
   26    HA   PRO   4           HA       PRO   4   8.401  -3.458   2.128
   27   1HB   PRO   4           HBR      PRO   4   6.018  -2.140   2.051
   28   2HB   PRO   4           HBS      PRO   4   6.949  -2.381   3.383
   29   1HG   PRO   4           HGS      PRO   4   6.457  -0.020   2.216
   30   2HG   PRO   4           HGR      PRO   4   7.588  -0.301   3.411
   31   1HD   PRO   4           HDS      PRO   4   7.995  -0.029   0.623
   32   2HD   PRO   4           HDR      PRO   4   9.062   0.271   1.853
   33    H    LYS   5           HN       LYS   5   8.142  -1.939  -0.796
   34    HA   LYS   5           HA       LYS   5   5.909  -3.579  -1.814
   35   1HB   LYS   5           HBR      LYS   5   6.915  -1.068  -2.489
   36   2HB   LYS   5           HBS      LYS   5   7.478  -2.138  -3.803
   37   1HG   LYS   5           HGR      LYS   5   4.593  -2.162  -2.894
   38   2HG   LYS   5           HGS      LYS   5   5.187  -0.946  -4.060
   39   1HD   LYS   5           HDR      LYS   5   4.997  -2.342  -5.703
   40   2HD   LYS   5           HDS      LYS   5   6.139  -3.433  -4.966
   41   1HE   LYS   5           HER      LYS   5   3.478  -3.588  -3.778
   42   2HE   LYS   5           HES      LYS   5   3.488  -3.948  -5.528
   43   1HZ   LYS   5           HZA      LYS   5   5.603  -5.300  -4.574
   44   2HZ   LYS   5           HZB      LYS   5   4.521  -5.474  -3.363
   45   3HZ   LYS   5           HZC      LYS   5   4.133  -5.943  -4.879
   46    H    CYS   6           HN       CYS   6   9.152  -2.839  -3.134
   47    HA   CYS   6           HA       CYS   6   8.994  -5.410  -4.516
   48   1HB   CYS   6           HBS      CYS   6  10.794  -4.558  -5.915
   49   2HB   CYS   6           HBR      CYS   6   9.389  -3.460  -5.838
   50    H    ASP   7           HN       ASP   7  10.556  -4.137  -1.772
   51    HA   ASP   7           HA       ASP   7  12.204  -4.863  -0.403
   52   1HB   ASP   7           HBS      ASP   7  11.077  -7.110  -0.942
   53   2HB   ASP   7           HBR      ASP   7  12.518  -7.406  -1.956
   54    H    LYS   8           HN       LYS   8  12.930  -3.028  -2.057
   55    HA   LYS   8           HA       LYS   8  15.769  -3.824  -2.485
   56   1HB   LYS   8           HBS      LYS   8  14.037  -2.121  -4.141
   57   2HB   LYS   8           HBR      LYS   8  15.553  -1.327  -3.630
   58   1HG   LYS   8           HGR      LYS   8  16.870  -3.135  -4.603
   59   2HG   LYS   8           HGS      LYS   8  15.380  -4.026  -5.028
   60   1HD   LYS   8           HDS      LYS   8  16.267  -2.962  -6.982
   61   2HD   LYS   8           HDR      LYS   8  14.710  -2.312  -6.547
   62   1HE   LYS   8           HES      LYS   8  16.258  -0.565  -7.272
   63   2HE   LYS   8           HER      LYS   8  15.694  -0.346  -5.592
   64   1HZ   LYS   8           HZC      LYS   8  17.863  -1.686  -5.140
   65   2HZ   LYS   8           HZA      LYS   8  18.328  -1.041  -6.566
   66   3HZ   LYS   8           HZB      LYS   8  17.896  -0.065  -5.330
   67    H    GLU   9           HN       GLU   9  16.920  -1.383  -2.379
   68    HA   GLU   9           HA       GLU   9  15.902  -0.094   0.122
   69   1HB   GLU   9           HBS      GLU   9  18.267   1.037  -0.288
   70   2HB   GLU   9           HBR      GLU   9  17.976  -0.169   0.832
   71   1HG   GLU   9           HGS      GLU   9  19.935  -0.839  -0.302
   72   2HG   GLU   9           HGR      GLU   9  18.721  -1.859  -1.120
   73    H    VAL  10           HN       VAL  10  15.702   2.127   0.139
   74    HA   VAL  10           HA       VAL  10  14.993   3.061  -2.572
   75    HB   VAL  10           HB       VAL  10  13.807   3.505   0.168
   76   1HG1  VAL  10           HMG      VAL  10  13.697   5.639  -1.103
   77   2HG1  VAL  10           HMG      VAL  10  12.800   4.789  -2.385
   78   3HG1  VAL  10           HMG      VAL  10  12.104   4.926  -0.752
   79   1HG2  VAL  10           HMG      VAL  10  13.433   1.478  -1.595
   80   2HG2  VAL  10           HMG      VAL  10  12.250   2.015  -0.381
   81   3HG2  VAL  10           HMG      VAL  10  12.120   2.596  -2.055
   82    H    TYR  11           HN       TYR  11  16.040   4.629  -3.472
   83    HA   TYR  11           HA       TYR  11  18.039   6.146  -1.897
   84   1HB   TYR  11           HBR      TYR  11  17.528   5.956  -4.890
   85   2HB   TYR  11           HBS      TYR  11  18.769   6.985  -4.120
   86    HD1  TYR  11           HD2      TYR  11  20.654   5.894  -2.892
   87    HD2  TYR  11           HD1      TYR  11  17.956   3.626  -5.273
   88    HE1  TYR  11           HE2      TYR  11  22.294   4.070  -3.000
   89    HE2  TYR  11           HE1      TYR  11  19.593   1.797  -5.397
   90    HH   TYR  11           HH       TYR  11  22.863   2.263  -4.523
   91    H    PHE  12           HN       PHE  12  18.174   8.482  -2.328
   92    HA   PHE  12           HA       PHE  12  15.991   9.470  -1.058
   93   1HB   PHE  12           HBS      PHE  12  18.238  10.915  -2.470
   94   2HB   PHE  12           HBR      PHE  12  16.880  11.839  -1.763
   95    HD1  PHE  12           HD2      PHE  12  16.444  11.553   0.785
   96    HD2  PHE  12           HD1      PHE  12  19.877   9.992  -1.199
   97    HE1  PHE  12           HE2      PHE  12  17.620  11.398   2.954
   98    HE2  PHE  12           HE1      PHE  12  21.066   9.831   0.941
   99    HZ   PHE  12           HZ       PHE  12  19.963  10.591   3.011
  100    H    ALA  13           HN       ALA  13  16.867  10.885  -4.221
  101    HA   ALA  13           HA       ALA  13  14.404  11.894  -4.693
  102   1HB   ALA  13           HMB      ALA  13  16.537  11.035  -6.673
  103   2HB   ALA  13           HMB      ALA  13  15.159  12.081  -7.097
  104   3HB   ALA  13           HMB      ALA  13  16.358  12.630  -5.898
  105    H    GLU  14           HN       GLU  14  15.075   8.640  -4.800
  106    HA   GLU  14           HA       GLU  14  12.672   8.095  -6.496
  107   1HB   GLU  14           HBS      GLU  14  14.754   6.204  -5.502
  108   2HB   GLU  14           HBR      GLU  14  13.511   5.792  -6.551
  109   1HG   GLU  14           HGS      GLU  14  14.563   7.613  -8.129
  110   2HG   GLU  14           HGR      GLU  14  16.007   7.507  -7.087
  111    H    ARG  15           HN       ARG  15  12.623   9.237  -3.865
  112    HA   ARG  15           HA       ARG  15  11.534   6.978  -2.298
  113   1HB   ARG  15           HBR      ARG  15  11.776   8.321  -0.369
  114   2HB   ARG  15           HBS      ARG  15  13.274   8.497  -1.323
  115   1HG   ARG  15           HGR      ARG  15  13.072  10.697  -1.129
  116   2HG   ARG  15           HGS      ARG  15  11.597  10.615  -2.133
  117   1HD   ARG  15           HDS      ARG  15  11.083  11.761  -0.111
  118   2HD   ARG  15           HDR      ARG  15  10.295  10.158  -0.076
  119    HE   ARG  15           HE       ARG  15  12.366   9.502   1.325
  120   1HH1  ARG  15           HH1      ARG  15  10.614  12.559   1.470
  121   2HH1  ARG  15           HH1      ARG  15  11.218  12.954   3.045
  122   1HH2  ARG  15           HH2      ARG  15  13.236  10.116   3.326
  123   2HH2  ARG  15           HH2      ARG  15  12.700  11.572   4.097
  124    H    VAL  16           HN       VAL  16   9.508   6.829  -1.587
  125    HA   VAL  16           HA       VAL  16   8.036   9.300  -1.270
  126    HB   VAL  16           HB       VAL  16   5.912   8.560  -2.031
  127   1HG1  VAL  16           HMG      VAL  16   8.038   8.146  -4.141
  128   2HG1  VAL  16           HMG      VAL  16   6.296   8.263  -4.487
  129   3HG1  VAL  16           HMG      VAL  16   7.153   9.637  -3.748
  130   1HG2  VAL  16           HMG      VAL  16   7.217   5.924  -2.733
  131   2HG2  VAL  16           HMG      VAL  16   5.941   6.227  -1.533
  132   3HG2  VAL  16           HMG      VAL  16   5.595   6.424  -3.268
  133    H    THR  17           HN       THR  17   7.446   9.441   0.755
  134    HA   THR  17           HA       THR  17   7.952   7.050   2.453
  135    HB   THR  17           HB       THR  17   7.830  10.018   3.252
  136    HG1  THR  17           HG1      THR  17   9.702  10.003   3.254
  137   1HG2  THR  17           HMG      THR  17   7.612   7.658   4.864
  138   2HG2  THR  17           HMG      THR  17   9.163   8.467   5.207
  139   3HG2  THR  17           HMG      THR  17   7.634   9.370   5.362
  140    H    SER  18           HN       SER  18   6.416   6.210   3.705
  141    HA   SER  18           HA       SER  18   3.659   7.188   3.610
  142   1HB   SER  18           HBS      SER  18   3.888   4.631   2.193
  143   2HB   SER  18           HBR      SER  18   2.893   6.074   1.841
  144    HG   SER  18           HG       SER  18   4.596   7.132   0.900
  145    H    LEU  19           HN       LEU  19   2.694   6.501   5.353
  146    HA   LEU  19           HA       LEU  19   2.040   5.210   7.128
  147   1HB   LEU  19           HBR      LEU  19   2.621   3.303   4.861
  148   2HB   LEU  19           HBS      LEU  19   1.925   2.743   6.408
  149    HG   LEU  19           HG       LEU  19  -0.063   3.992   6.066
  150   1HD1  LEU  19           HMD      LEU  19   1.556   5.345   3.933
  151   2HD1  LEU  19           HMD      LEU  19  -0.212   5.217   3.736
  152   3HD1  LEU  19           HMD      LEU  19   0.470   6.045   5.161
  153   1HD2  LEU  19           HMD      LEU  19   0.954   2.547   3.611
  154   2HD2  LEU  19           HMD      LEU  19  -0.080   1.921   4.920
  155   3HD2  LEU  19           HMD      LEU  19  -0.727   3.114   3.764
  156    H    GLY  20           HN       GLY  20   4.935   5.907   6.959
  157   1HA   GLY  20           HAR      GLY  20   6.241   5.882   8.886
  158   2HA   GLY  20           HAS      GLY  20   5.487   4.339   9.368
  159    H    LYS  21           HN       LYS  21   6.575   4.468   6.112
  160    HA   LYS  21           HA       LYS  21   9.374   4.322   6.491
  161   1HB   LYS  21           HBR      LYS  21   7.939   1.712   6.444
  162   2HB   LYS  21           HBS      LYS  21   9.370   1.868   5.384
  163   1HG   LYS  21           HGS      LYS  21  10.749   1.589   7.119
  164   2HG   LYS  21           HGR      LYS  21   9.964   2.921   8.015
  165   1HD   LYS  21           HDS      LYS  21   9.945   0.822   9.262
  166   2HD   LYS  21           HDR      LYS  21   8.346   1.421   8.916
  167   1HE   LYS  21           HER      LYS  21   9.513  -0.514   6.999
  168   2HE   LYS  21           HES      LYS  21   8.973  -1.121   8.588
  169   1HZ   LYS  21           HZA      LYS  21   6.923   0.371   7.883
  170   2HZ   LYS  21           HZB      LYS  21   7.422  -0.091   6.397
  171   3HZ   LYS  21           HZC      LYS  21   7.034  -1.216   7.516
  172    H    ASP  22           HN       ASP  22  10.505   4.073   4.482
  173    HA   ASP  22           HA       ASP  22   8.979   5.576   2.572
  174   1HB   ASP  22           HBS      ASP  22  11.852   4.785   2.243
  175   2HB   ASP  22           HBR      ASP  22  10.995   6.233   1.636
  176    H    TRP  23           HN       TRP  23   9.295   5.255   0.206
  177    HA   TRP  23           HA       TRP  23   9.524   2.411  -0.620
  178   1HB   TRP  23           HBR      TRP  23   7.291   4.329  -1.319
  179   2HB   TRP  23           HBS      TRP  23   7.423   2.599  -1.777
  180    HD1  TRP  23           HD1      TRP  23   6.853   4.866   1.301
  181    HE1  TRP  23           HE1      TRP  23   5.232   3.661   2.895
  182    HE3  TRP  23           HE3      TRP  23   6.430   0.485  -1.243
  183    HZ2  TRP  23           HZ2      TRP  23   3.822   1.235   2.929
  184    HZ3  TRP  23           HZ3      TRP  23   4.943  -1.251  -0.355
  185    HH2  TRP  23           HH2      TRP  23   3.610  -0.867   1.649
  186    H    HIS  24           HN       ZHI  24   9.265   2.336  -3.115
  187    HA   HIS  24           HA       ZHI  24  10.842   4.481  -4.343
  188   1HB   HIS  24           HBS      ZHI  24   9.781   1.899  -5.579
  189   2HB   HIS  24           HBR      ZHI  24  10.893   3.067  -6.353
  190    HD2  HIS  24           HD2      ZHI  24  13.118   3.491  -4.167
  191    HE1  HIS  24           HE1      ZHI  24  13.024  -0.564  -3.158
  192    HE2  HIS  24           HE2      ZHI  24  14.486   1.484  -3.274
  193    H    ARG  25           HN       ARG  25  10.239   5.647  -6.157
  194    HA   ARG  25           HA       ARG  25   7.683   6.832  -5.795
  195   1HB   ARG  25           HBS      ARG  25   9.646   8.069  -6.640
  196   2HB   ARG  25           HBR      ARG  25   9.587   7.111  -8.147
  197   1HG   ARG  25           HGS      ARG  25   8.513   9.016  -8.824
  198   2HG   ARG  25           HGR      ARG  25   7.119   8.053  -8.257
  199   1HD   ARG  25           HDS      ARG  25   7.038  10.367  -7.477
  200   2HD   ARG  25           HDR      ARG  25   7.153   9.194  -6.135
  201    HE   ARG  25           HE       ARG  25   9.213  10.081  -5.571
  202   1HH1  ARG  25           HH1      ARG  25   8.120  11.467  -8.621
  203   2HH1  ARG  25           HH1      ARG  25   9.485  12.523  -8.755
  204   1HH2  ARG  25           HH2      ARG  25  11.048  11.382  -5.846
  205   2HH2  ARG  25           HH2      ARG  25  11.142  12.477  -7.186
  206    HA   PRO  26           HA       PRO  26   6.618   4.498  -9.890
  207   1HB   PRO  26           HBS      PRO  26   8.162   2.333 -10.321
  208   2HB   PRO  26           HBR      PRO  26   8.220   3.724 -11.192
  209   1HG   PRO  26           HGS      PRO  26  10.006   2.782  -9.263
  210   2HG   PRO  26           HGR      PRO  26  10.272   3.934 -10.440
  211   1HD   PRO  26           HDS      PRO  26   9.933   4.460  -7.839
  212   2HD   PRO  26           HDR      PRO  26   9.796   5.572  -9.055
  213    H    CYS  27           HN       CYS  27   7.687   2.862  -7.106
  214    HA   CYS  27           HA       CYS  27   6.280   0.452  -7.592
  215   1HB   CYS  27           HBS      CYS  27   7.771   1.667  -5.327
  216   2HB   CYS  27           HBR      CYS  27   6.619   0.361  -4.933
  217    H    LEU  28           HN       LEU  28   5.469   3.353  -5.717
  218    HA   LEU  28           HA       LEU  28   3.432   2.113  -4.189
  219   1HB   LEU  28           HBS      LEU  28   4.917   4.208  -3.833
  220   2HB   LEU  28           HBR      LEU  28   3.634   5.071  -4.725
  221    HG   LEU  28           HG       LEU  28   2.059   4.017  -2.927
  222   1HD1  LEU  28           HMD      LEU  28   4.627   3.145  -2.024
  223   2HD1  LEU  28           HMD      LEU  28   4.004   4.348  -0.866
  224   3HD1  LEU  28           HMD      LEU  28   3.035   2.907  -1.262
  225   1HD2  LEU  28           HMD      LEU  28   3.696   6.413  -3.118
  226   2HD2  LEU  28           HMD      LEU  28   1.996   6.229  -2.613
  227   3HD2  LEU  28           HMD      LEU  28   3.306   6.021  -1.422
  228    H    LYS  29           HN       LYS  29   2.235   1.020  -5.860
  229    HA   LYS  29           HA       LYS  29   0.342   2.774  -7.355
  230   1HB   LYS  29           HBR      LYS  29   1.972   0.442  -8.416
  231   2HB   LYS  29           HBS      LYS  29   0.622   1.232  -9.280
  232   1HG   LYS  29           HGS      LYS  29   1.978   3.414  -9.005
  233   2HG   LYS  29           HGR      LYS  29   3.353   2.350  -8.595
  234   1HD   LYS  29           HDS      LYS  29   1.708   2.092 -11.123
  235   2HD   LYS  29           HDR      LYS  29   3.072   3.171 -10.993
  236   1HE   LYS  29           HER      LYS  29   4.481   1.558 -11.423
  237   2HE   LYS  29           HES      LYS  29   3.890   0.617 -10.023
  238   1HZ   LYS  29           HZA      LYS  29   1.977   0.261 -11.852
  239   2HZ   LYS  29           HZB      LYS  29   3.309   0.302 -12.795
  240   3HZ   LYS  29           HZC      LYS  29   3.205  -0.780 -11.576
  241    H    CYS  30           HN       CYS  30  -1.663   1.957  -7.718
  242    HA   CYS  30           HA       CYS  30  -2.676   0.014  -5.978
  243   1HB   CYS  30           HBS      CYS  30  -3.863   1.932  -7.197
  244   2HB   CYS  30           HBR      CYS  30  -4.056   0.764  -8.538
  245    H    GLU  31           HN       GLU  31  -2.498  -2.080  -5.957
  246    HA   GLU  31           HA       GLU  31  -2.230  -3.595  -8.470
  247   1HB   GLU  31           HBR      GLU  31  -1.205  -3.763  -5.923
  248   2HB   GLU  31           HBS      GLU  31  -2.492  -4.834  -5.828
  249   1HG   GLU  31           HGS      GLU  31  -0.191  -5.776  -6.533
  250   2HG   GLU  31           HGR      GLU  31  -1.649  -6.427  -7.327
  251    H    LYS  32           HN       LYS  32  -4.793  -2.219  -7.277
  252    HA   LYS  32           HA       LYS  32  -6.566  -4.528  -7.908
  253   1HB   LYS  32           HBR      LYS  32  -7.370  -1.740  -7.024
  254   2HB   LYS  32           HBS      LYS  32  -8.421  -3.170  -7.230
  255   1HG   LYS  32           HGS      LYS  32  -6.283  -2.730  -5.114
  256   2HG   LYS  32           HGR      LYS  32  -8.051  -2.843  -4.874
  257   1HD   LYS  32           HDR      LYS  32  -6.164  -5.015  -5.796
  258   2HD   LYS  32           HDS      LYS  32  -6.834  -4.870  -4.194
  259   1HE   LYS  32           HER      LYS  32  -8.957  -5.496  -4.881
  260   2HE   LYS  32           HES      LYS  32  -8.645  -5.060  -6.584
  261   1HZ   LYS  32           HZA      LYS  32  -6.822  -6.982  -5.962
  262   2HZ   LYS  32           HZB      LYS  32  -8.205  -7.509  -5.270
  263   3HZ   LYS  32           HZC      LYS  32  -8.167  -7.173  -6.867
  264    H    CYS  33           HN       CYS  33  -6.366  -1.013  -8.618
  265    HA   CYS  33           HA       CYS  33  -7.578  -1.644 -11.199
  266   1HB   CYS  33           HBS      CYS  33  -8.318   0.609 -11.272
  267   2HB   CYS  33           HBR      CYS  33  -8.643  -0.091  -9.664
  268    H    GLY  34           HN       GLY  34  -4.541  -0.498  -9.968
  269   1HA   GLY  34           HAR      GLY  34  -2.549  -0.201 -11.077
  270   2HA   GLY  34           HAS      GLY  34  -3.407  -0.485 -12.615
  271    H    LYS  35           HN       LYS  35  -3.952   2.000 -10.097
  272    HA   LYS  35           HA       LYS  35  -2.902   4.060 -11.986
  273   1HB   LYS  35           HBR      LYS  35  -3.949   5.744 -10.640
  274   2HB   LYS  35           HBS      LYS  35  -5.168   4.529 -11.113
  275   1HG   LYS  35           HGR      LYS  35  -5.182   3.579  -8.897
  276   2HG   LYS  35           HGS      LYS  35  -3.793   4.587  -8.402
  277   1HD   LYS  35           HDS      LYS  35  -5.772   6.351  -9.359
  278   2HD   LYS  35           HDR      LYS  35  -6.603   5.175  -8.381
  279   1HE   LYS  35           HES      LYS  35  -5.867   6.056  -6.494
  280   2HE   LYS  35           HER      LYS  35  -4.179   5.997  -7.076
  281   1HZ   LYS  35           HZB      LYS  35  -6.082   8.089  -7.861
  282   2HZ   LYS  35           HZC      LYS  35  -5.056   8.240  -6.598
  283   3HZ   LYS  35           HZA      LYS  35  -4.468   8.067  -8.112
  284    H    THR  36           HN       THR  36  -1.195   5.288 -11.410
  285    HA   THR  36           HA       THR  36   0.530   4.487  -9.203
  286    HB   THR  36           HB       THR  36   0.635   6.860 -11.148
  287    HG1  THR  36           HG1      THR  36   0.995   5.362 -12.135
  288   1HG2  THR  36           HMG      THR  36   1.754   7.478  -9.052
  289   2HG2  THR  36           HMG      THR  36   2.740   5.998  -9.146
  290   3HG2  THR  36           HMG      THR  36   2.915   7.264 -10.387
  291    H    LEU  37           HN       LEU  37   1.000   5.724  -7.384
  292    HA   LEU  37           HA       LEU  37  -1.330   7.331  -6.493
  293   1HB   LEU  37           HBR      LEU  37   0.605   5.640  -4.886
  294   2HB   LEU  37           HBS      LEU  37  -0.939   6.356  -4.338
  295    HG   LEU  37           HG       LEU  37  -0.787   4.263  -6.510
  296   1HD1  LEU  37           HMD      LEU  37   0.057   3.780  -3.970
  297   2HD1  LEU  37           HMD      LEU  37  -1.693   3.495  -3.800
  298   3HD1  LEU  37           HMD      LEU  37  -0.754   2.578  -5.005
  299   1HD2  LEU  37           HMD      LEU  37  -2.774   5.958  -5.769
  300   2HD2  LEU  37           HMD      LEU  37  -3.047   4.329  -6.437
  301   3HD2  LEU  37           HMD      LEU  37  -3.090   4.587  -4.674
  302    H    THR  38           HN       THR  38  -0.952   8.916  -4.811
  303    HA   THR  38           HA       THR  38   1.482  10.481  -5.504
  304    HB   THR  38           HB       THR  38  -0.820  11.447  -6.102
  305    HG1  THR  38           HG1      THR  38   0.863  12.413  -6.054
  306   1HG2  THR  38           HMG      THR  38  -1.010  11.831  -3.103
  307   2HG2  THR  38           HMG      THR  38  -2.026  12.648  -4.317
  308   3HG2  THR  38           HMG      THR  38  -2.112  10.878  -4.128
  309    H    SER  39           HN       SER  39   1.431  12.338  -3.538
  310    HA   SER  39           HA       SER  39   3.161  11.077  -1.806
  311   1HB   SER  39           HBR      SER  39   3.243  13.157  -0.537
  312   2HB   SER  39           HBS      SER  39   3.248  13.451  -2.301
  313    HG   SER  39           HG       SER  39   0.886  13.656  -2.156
  314    H    GLY  40           HN       GLY  40  -0.279  11.565  -1.459
  315   1HA   GLY  40           HAR      GLY  40  -0.475   9.770   0.833
  316   2HA   GLY  40           HAS      GLY  40  -0.673  11.496   1.244
  317    H    GLY  41           HN       GLY  41  -1.717   9.275  -1.382
  318   1HA   GLY  41           HAR      GLY  41  -4.532   9.712  -0.513
  319   2HA   GLY  41           HAS      GLY  41  -4.110   9.914  -2.232
  320    H    HIS  42           HN       HIS  42  -2.088   7.583  -0.893
  321    HA   HIS  42           HA       HIS  42  -3.804   5.422  -1.853
  322   1HB   HIS  42           HBS      HIS  42  -1.768   4.108  -2.008
  323   2HB   HIS  42           HBR      HIS  42  -1.514   5.713  -2.759
  324    HD1  HIS  42           HD1      HIS  42   0.069   3.420  -0.383
  325    HD2  HIS  42           HD2      HIS  42  -0.199   7.552  -0.834
  326    HE1  HIS  42           HE1      HIS  42   1.699   4.417   1.243
  327    HE2  HIS  42           HE2      HIS  42   1.598   6.914   0.913
  328    H    ALA  43           HN       ALA  43  -2.716   3.230  -0.709
  329    HA   ALA  43           HA       ALA  43  -2.519   3.548   2.182
  330   1HB   ALA  43           HMB      ALA  43  -4.878   2.344   0.911
  331   2HB   ALA  43           HMB      ALA  43  -4.067   1.289   2.096
  332   3HB   ALA  43           HMB      ALA  43  -4.626   2.910   2.582
  333    H    GLU  44           HN       GLU  44  -2.387   0.949   2.915
  334    HA   GLU  44           HA       GLU  44  -1.502  -0.851   0.853
  335   1HB   GLU  44           HBS      GLU  44   0.681  -1.194   1.526
  336   2HB   GLU  44           HBR      GLU  44   0.542   0.422   1.100
  337   1HG   GLU  44           HGS      GLU  44   1.563   0.897   3.073
  338   2HG   GLU  44           HGR      GLU  44   0.076   0.408   3.931
  339    H    HIS  45           HN       HIS  45  -1.234  -2.990   1.636
  340    HA   HIS  45           HA       HIS  45  -1.426  -3.380   4.537
  341   1HB   HIS  45           HBS      HIS  45  -2.927  -5.286   4.430
  342   2HB   HIS  45           HBR      HIS  45  -3.745  -3.846   3.760
  343    HD1  HIS  45           HD1      HIS  45  -1.913  -6.979   2.463
  344    HD2  HIS  45           HD2      HIS  45  -4.994  -4.357   1.472
  345    HE1  HIS  45           HE1      HIS  45  -3.100  -7.991   0.502
  346    HE2  HIS  45           HE2      HIS  45  -4.978  -6.418  -0.091
  347    H    GLU  46           HN       GLU  46   0.108  -4.661   5.218
  348    HA   GLU  46           HA       GLU  46   2.058  -5.877   5.194
  349   1HB   GLU  46           HBS      GLU  46   0.156  -7.401   4.720
  350   2HB   GLU  46           HBR      GLU  46   0.489  -7.362   3.076
  351   1HG   GLU  46           HGR      GLU  46   1.942  -9.182   3.484
  352   2HG   GLU  46           HGS      GLU  46   2.964  -7.945   4.268
  353    H    GLY  47           HN       GLY  47   2.090  -3.552   3.556
  354   1HA   GLY  47           HAR      GLY  47   3.801  -2.553   2.400
  355   2HA   GLY  47           HAS      GLY  47   4.609  -4.144   2.370
  356    H    LYS  48           HN       LYS  48   1.398  -4.015   1.106
  357    HA   LYS  48           HA       LYS  48   2.362  -3.424  -1.654
  358   1HB   LYS  48           HBR      LYS  48   0.242  -4.887  -2.246
  359   2HB   LYS  48           HBS      LYS  48   1.856  -5.617  -2.026
  360   1HG   LYS  48           HGS      LYS  48   1.206  -6.130   0.357
  361   2HG   LYS  48           HGR      LYS  48  -0.449  -5.589  -0.044
  362   1HD   LYS  48           HDS      LYS  48  -0.849  -7.416  -1.380
  363   2HD   LYS  48           HDR      LYS  48   0.829  -7.602  -1.809
  364   1HE   LYS  48           HER      LYS  48   1.330  -8.901  -0.058
  365   2HE   LYS  48           HES      LYS  48   0.177  -8.083   1.033
  366   1HZ   LYS  48           HZA      LYS  48  -1.369  -9.275  -0.829
  367   2HZ   LYS  48           HZB      LYS  48  -0.197 -10.383  -0.574
  368   3HZ   LYS  48           HZC      LYS  48  -1.088  -9.836   0.680
  369    HA   PRO  49           HA       PRO  49  -0.544  -0.280  -0.558
  370   1HB   PRO  49           HBR      PRO  49   0.245   1.451  -2.450
  371   2HB   PRO  49           HBS      PRO  49   0.845   1.388  -0.922
  372   1HG   PRO  49           HGS      PRO  49   2.046   0.535  -3.292
  373   2HG   PRO  49           HGR      PRO  49   2.772   0.917  -1.839
  374   1HD   PRO  49           HDS      PRO  49   2.392  -1.573  -2.771
  375   2HD   PRO  49           HDR      PRO  49   2.782  -1.186  -1.211
  376    H    TYR  50           HN       TYR  50  -2.218   1.099  -1.544
  377    HA   TYR  50           HA       TYR  50  -2.921   0.446  -4.253
  378   1HB   TYR  50           HBR      TYR  50  -5.206  -0.011  -2.360
  379   2HB   TYR  50           HBS      TYR  50  -4.975  -0.576  -4.037
  380    HD1  TYR  50           HD1      TYR  50  -3.881  -1.170  -0.510
  381    HD2  TYR  50           HD2      TYR  50  -4.219  -2.751  -4.443
  382    HE1  TYR  50           HE1      TYR  50  -3.187  -3.375   0.324
  383    HE2  TYR  50           HE2      TYR  50  -3.499  -4.951  -3.629
  384    HH   TYR  50           HH       TYR  50  -2.195  -5.261  -0.329
  385    H    CYS  51           HN       CYS  51  -5.236   1.611  -4.624
  386    HA   CYS  51           HA       CYS  51  -5.396   4.262  -3.820
  387   1HB   CYS  51           HBS      CYS  51  -7.668   2.318  -4.281
  388   2HB   CYS  51           HBR      CYS  51  -7.859   4.082  -4.089
  389    H    ASN  52           HN       ASN  52  -5.684   5.314  -2.028
  390    HA   ASN  52           HA       ASN  52  -6.590   4.192   0.455
  391   1HB   ASN  52           HBR      ASN  52  -5.263   6.352   0.068
  392   2HB   ASN  52           HBS      ASN  52  -6.854   7.092  -0.264
  393   1HD2  ASN  52           HD2      ASN  52  -6.776   7.870   3.178
  394   2HD2  ASN  52           HD2      ASN  52  -6.453   8.464   1.583
  395    H    HIS  53           HN       HIS  53  -8.141   5.642  -2.351
  396    HA   HIS  53           HA       HIS  53 -10.389   3.893  -1.845
  397   1HB   HIS  53           HBS      HIS  53 -10.836   6.905  -1.866
  398   2HB   HIS  53           HBR      HIS  53 -12.094   5.738  -2.368
  399    HD1  HIS  53           HD1      HIS  53 -13.538   4.814  -0.491
  400    HD2  HIS  53           HD2      HIS  53 -10.042   6.616   0.880
  401    HE1  HIS  53           HE1      HIS  53 -13.778   5.019   1.994
  402    HE2  HIS  53           HE2      HIS  53 -11.668   6.116   2.829
  403    HA   PRO  54           HA       PRO  54 -12.337   3.898  -2.634
  404   1HB   PRO  54           HBR      PRO  54 -13.656   2.312  -4.345
  405   2HB   PRO  54           HBS      PRO  54 -14.097   3.845  -3.954
  406   1HG   PRO  54           HGR      PRO  54 -13.119   2.956  -6.366
  407   2HG   PRO  54           HGS      PRO  54 -13.691   4.473  -5.980
  408   1HD   PRO  54           HDS      PRO  54 -11.051   3.667  -6.251
  409   2HD   PRO  54           HDR      PRO  54 -11.627   5.201  -6.035
  410    H    CYS  55           HN       CYS  55 -10.053   2.268  -4.391
  411    HA   CYS  55           HA       CYS  55 -10.989  -0.298  -4.298
  412   1HB   CYS  55           HBS      CYS  55  -8.087   0.570  -4.330
  413   2HB   CYS  55           HBR      CYS  55  -8.707  -1.044  -4.779
  414    H    TYR  56           HN       TYR  56  -8.871   1.268  -1.903
  415    HA   TYR  56           HA       TYR  56  -8.417  -1.042  -0.282
  416   1HB   TYR  56           HBR      TYR  56  -7.036   0.970  -0.112
  417   2HB   TYR  56           HBS      TYR  56  -8.442   1.907   0.468
  418    HD1  TYR  56           HD1      TYR  56  -9.497   1.175   2.713
  419    HD2  TYR  56           HD2      TYR  56  -5.647  -0.093   1.422
  420    HE1  TYR  56           HE1      TYR  56  -8.940   0.540   5.019
  421    HE2  TYR  56           HE2      TYR  56  -5.086  -0.751   3.719
  422    HH   TYR  56           HH       TYR  56  -6.366  -1.620   5.648
  423    H    SER  57           HN       SER  57 -10.764   1.652  -0.017
  424    HA   SER  57           HA       SER  57 -11.881   0.617   2.404
  425   1HB   SER  57           HBS      SER  57 -12.263   2.960   0.680
  426   2HB   SER  57           HBR      SER  57 -13.756   2.390   1.481
  427    HG   SER  57           HG       SER  57 -12.877   2.523   3.477
  428    H    ALA  58           HN       ALA  58 -12.639   0.255  -0.992
  429    HA   ALA  58           HA       ALA  58 -15.392  -0.617  -0.601
  430   1HB   ALA  58           HMB      ALA  58 -14.682   0.481  -2.665
  431   2HB   ALA  58           HMB      ALA  58 -13.536  -0.845  -2.987
  432   3HB   ALA  58           HMB      ALA  58 -15.289  -1.166  -2.974
  433    H    MET  59           HN       MET  59 -12.237  -2.136  -1.307
  434    HA   MET  59           HA       MET  59 -13.395  -4.753  -1.581
  435   1HB   MET  59           HBS      MET  59 -11.065  -3.542  -2.415
  436   2HB   MET  59           HBR      MET  59 -10.497  -4.634  -1.126
  437   1HG   MET  59           HGR      MET  59 -10.431  -5.998  -3.036
  438   2HG   MET  59           HGS      MET  59 -11.976  -6.446  -2.278
  439   1HE   MET  59           HME      MET  59 -10.460  -3.647  -4.113
  440   2HE   MET  59           HME      MET  59 -10.940  -3.936  -5.804
  441   3HE   MET  59           HME      MET  59 -11.895  -2.831  -4.784
  442    H    PHE  60           HN       PHE  60 -11.737  -2.992   0.985
  443    HA   PHE  60           HA       PHE  60 -11.023  -5.204   2.555
  444   1HB   PHE  60           HBR      PHE  60 -11.312  -2.266   3.116
  445   2HB   PHE  60           HBS      PHE  60 -11.217  -3.391   4.503
  446    HD1  PHE  60           HD2      PHE  60  -9.412  -3.301   1.160
  447    HD2  PHE  60           HD1      PHE  60  -9.208  -3.406   5.415
  448    HE1  PHE  60           HE2      PHE  60  -6.943  -3.370   1.035
  449    HE2  PHE  60           HE1      PHE  60  -6.758  -3.474   5.318
  450    HZ   PHE  60           HZ       PHE  60  -5.620  -3.398   3.131
  451    H    GLY  61           HN       GLY  61 -12.819  -6.598   2.513
  452   1HA   GLY  61           HAS      GLY  61 -14.372  -7.076   4.623
  453   2HA   GLY  61           HAR      GLY  61 -15.301  -5.746   3.874
  454    HA   PRO  62           HA       PRO  62 -15.234  -9.450   0.719
  455   1HB   PRO  62           HBR      PRO  62 -14.174 -11.678   1.909
  456   2HB   PRO  62           HBS      PRO  62 -13.595 -10.901   0.586
  457   1HG   PRO  62           HGS      PRO  62 -12.432 -10.993   3.007
  458   2HG   PRO  62           HGR      PRO  62 -11.946 -10.052   1.719
  459   1HD   PRO  62           HDS      PRO  62 -13.334  -9.266   4.027
  460   2HD   PRO  62           HDR      PRO  62 -12.516  -8.318   2.947
  461    H    LYS  63           HN       LYS  63 -16.923 -10.749   0.310
  462    HA   LYS  63           HA       LYS  63 -18.008 -12.342   2.459
  463   1HB   LYS  63           HBS      LYS  63 -20.267 -11.473   2.436
  464   2HB   LYS  63           HBR      LYS  63 -19.120 -10.216   2.985
  465   1HG   LYS  63           HGR      LYS  63 -19.830 -10.271   0.077
  466   2HG   LYS  63           HGS      LYS  63 -21.084  -9.718   1.225
  467   1HD   LYS  63           HDS      LYS  63 -19.196  -8.218   2.181
  468   2HD   LYS  63           HDR      LYS  63 -18.384  -8.550   0.676
  469   1HE   LYS  63           HES      LYS  63 -20.973  -7.100   1.097
  470   2HE   LYS  63           HER      LYS  63 -19.474  -6.551   0.298
  471   1HZ   LYS  63           HZC      LYS  63 -19.920  -8.222  -1.408
  472   2HZ   LYS  63           HZA      LYS  63 -21.349  -8.580  -0.704
  473   3HZ   LYS  63           HZB      LYS  63 -21.095  -7.091  -1.326
  474    H    GLY  64           HN       GLY  64 -19.310 -13.974   1.706
  475   1HA   GLY  64           HAS      GLY  64 -20.704 -15.119   0.232
  476   2HA   GLY  64           HAR      GLY  64 -20.395 -13.873  -1.007
  477    H    PHE  65           HN       PHE  65 -17.860 -13.828  -1.545
  478    HA   PHE  65           HA       PHE  65 -17.557 -16.332  -2.951
  479   1HB   PHE  65           HBS      PHE  65 -16.360 -13.616  -3.153
  480   2HB   PHE  65           HBR      PHE  65 -15.283 -14.969  -3.607
  481    HD1  PHE  65           HD1      PHE  65 -18.559 -13.427  -4.186
  482    HD2  PHE  65           HD2      PHE  65 -15.650 -16.129  -5.736
  483    HE1  PHE  65           HE1      PHE  65 -19.751 -13.447  -6.330
  484    HE2  PHE  65           HE2      PHE  65 -16.835 -16.168  -7.905
  485    HZ   PHE  65           HZ       PHE  65 -18.858 -14.769  -8.211
  486    H    GLY  66           HN       GLY  66 -16.691 -18.033  -2.056
  487   1HA   GLY  66           HAS      GLY  66 -13.957 -17.771  -0.968
  488   2HA   GLY  66           HAR      GLY  66 -15.144 -18.665   0.020
  489    H    ARG  67           HN       ARG  67 -14.981 -20.768  -0.232
  490    HA   ARG  67           HA       ARG  67 -14.924 -22.848  -1.179
  491   1HB   ARG  67           HBS      ARG  67 -16.660 -21.343  -2.665
  492   2HB   ARG  67           HBR      ARG  67 -15.522 -21.922  -3.916
  493   1HG   ARG  67           HGS      ARG  67 -15.951 -24.248  -2.683
  494   2HG   ARG  67           HGR      ARG  67 -17.479 -23.437  -2.238
  495   1HD   ARG  67           HDS      ARG  67 -17.706 -24.723  -4.286
  496   2HD   ARG  67           HDR      ARG  67 -17.933 -22.974  -4.573
  497    HE   ARG  67           HE       ARG  67 -15.215 -23.858  -5.037
  498   1HH1  ARG  67           HH1      ARG  67 -18.430 -23.918  -6.481
  499   2HH1  ARG  67           HH1      ARG  67 -17.826 -23.776  -8.098
  500   1HH2  ARG  67           HH2      ARG  67 -14.469 -23.547  -7.155
  501   2HH2  ARG  67           HH2      ARG  67 -15.584 -23.569  -8.481
  502    H    GLY  68           HN       GLY  68 -12.974 -23.688  -1.270
  503   1HA   GLY  68           HAS      GLY  68 -11.104 -22.924  -3.459
  504   2HA   GLY  68           HAR      GLY  68 -10.698 -23.907  -2.028
  505    H    GLY  69           HN       GLY  69 -10.318 -25.929  -2.564
  506   1HA   GLY  69           HAR      GLY  69 -12.339 -27.657  -3.421
  507   2HA   GLY  69           HAS      GLY  69 -11.326 -27.343  -4.855
  508    H    ALA  70           HN       ALA  70 -11.556 -28.871  -1.746
  509    HA   ALA  70           HA       ALA  70  -8.703 -29.480  -1.587
  510   1HB   ALA  70           HMB      ALA  70 -11.024 -29.441   0.194
  511   2HB   ALA  70           HMB      ALA  70  -9.965 -30.853   0.442
  512   3HB   ALA  70           HMB      ALA  70  -9.293 -29.206   0.542
  513    H    GLU  71           HN       GLU  71  -7.743 -31.370  -1.945
  514    HA   GLU  71           HA       GLU  71  -7.364 -33.580  -2.421
  515   1HB   GLU  71           HBR      GLU  71 -10.102 -34.052  -1.251
  516   2HB   GLU  71           HBS      GLU  71  -8.819 -35.123  -1.398
  517   1HG   GLU  71           HGS      GLU  71  -7.520 -34.274   0.270
  518   2HG   GLU  71           HGR      GLU  71  -8.276 -32.658   0.259
  519    H    SER  72           HN       SER  72  -7.328 -33.719  -4.574
  520    HA   SER  72           HA       SER  72  -9.796 -34.107  -6.124
  521   1HB   SER  72           HBR      SER  72  -8.170 -34.563  -7.997
  522   2HB   SER  72           HBS      SER  72  -8.137 -32.920  -7.294
  523    HG   SER  72           HG       SER  72  -6.100 -33.219  -7.288
  524    H    HIS  73           HN       HIS  73  -6.827 -36.029  -6.324
  525    HA   HIS  73           HA       HIS  73  -8.509 -38.471  -6.032
  526   1HB   HIS  73           HBS      HIS  73  -7.658 -37.677  -8.439
  527   2HB   HIS  73           HBR      HIS  73  -6.155 -38.478  -7.898
  528    HD1  HIS  73           HD1      HIS  73  -9.869 -39.292  -8.458
  529    HD2  HIS  73           HD2      HIS  73  -6.178 -41.183  -8.065
  530    HE1  HIS  73           HE1      HIS  73 -10.224 -41.682  -9.124
  531    HE2  HIS  73           HE2      HIS  73  -7.989 -42.825  -8.909
  532    H    THR  74           HN       THR  74  -5.238 -37.078  -5.865
  533    HA   THR  74           HA       THR  74  -4.772 -38.696  -3.476
  534    HB   THR  74           HB       THR  74  -2.526 -39.484  -4.147
  535    HG1  THR  74           HG1      THR  74  -1.688 -38.878  -5.624
  536   1HG2  THR  74           HMG      THR  74  -4.412 -41.014  -4.590
  537   2HG2  THR  74           HMG      THR  74  -4.542 -40.348  -6.238
  538   3HG2  THR  74           HMG      THR  74  -3.070 -41.224  -5.745
  539    H    PHE  75           HN       PHE  75  -4.410 -37.179  -2.053
  540    HA   PHE  75           HA       PHE  75  -3.535 -34.613  -2.552
  541   1HB   PHE  75           HBR      PHE  75  -2.603 -34.859  -0.006
  542   2HB   PHE  75           HBS      PHE  75  -4.313 -34.571  -0.435
  543    HD1  PHE  75           HD1      PHE  75  -2.181 -37.579  -0.601
  544    HD2  PHE  75           HD2      PHE  75  -5.665 -35.817   1.106
  545    HE1  PHE  75           HE1      PHE  75  -2.630 -39.675   0.593
  546    HE2  PHE  75           HE2      PHE  75  -6.165 -37.933   2.283
  547    HZ   PHE  75           HZ       PHE  75  -4.603 -39.844   2.062
  548    H    LYS  76           HN       LYS  76  -1.831 -34.526  -3.940
  549    HA   LYS  76           HA       LYS  76   0.629 -35.910  -3.446
  550   1HB   LYS  76           HBS      LYS  76  -0.006 -33.620  -5.336
  551   2HB   LYS  76           HBR      LYS  76   1.500 -34.584  -5.331
  552   1HG   LYS  76           HGR      LYS  76  -0.766 -36.362  -5.460
  553   2HG   LYS  76           HGS      LYS  76  -0.930 -35.106  -6.720
  554   1HD   LYS  76           HDS      LYS  76   0.225 -37.057  -7.571
  555   2HD   LYS  76           HDR      LYS  76   1.188 -35.606  -7.632
  556   1HE   LYS  76           HES      LYS  76   2.765 -37.018  -6.844
  557   2HE   LYS  76           HER      LYS  76   2.062 -36.460  -5.300
  558   1HZ   LYS  76           HZB      LYS  76   0.519 -38.500  -5.795
  559   2HZ   LYS  76           HZC      LYS  76   1.841 -39.032  -6.594
  560   3HZ   LYS  76           HZA      LYS  76   1.937 -38.665  -5.004
   
  No H/Q in entry =         560
  Start of MODEL   30
    1    H    PRO   1           HN       PRO   1  14.000   4.696   3.577
    2    HA   PRO   1           HA       PRO   1  16.005   3.556   4.174
    3   1HB   PRO   1           HBR      PRO   1  14.885   1.495   5.644
    4   2HB   PRO   1           HBS      PRO   1  16.068   2.532   6.114
    5   1HG   PRO   1           HGR      PRO   1  13.412   2.565   6.855
    6   2HG   PRO   1           HGS      PRO   1  14.669   3.482   7.452
    7   1HD   PRO   1           HDR      PRO   1  12.680   4.412   5.915
    8   2HD   PRO   1           HDS      PRO   1  14.105   5.201   6.205
    9    H    LYS   2           HN       LYS   2  13.576   1.114   4.359
   10    HA   LYS   2           HA       LYS   2  14.452   0.200   1.655
   11   1HB   LYS   2           HBR      LYS   2  14.192  -1.222   4.275
   12   2HB   LYS   2           HBS      LYS   2  13.742  -2.099   2.785
   13   1HG   LYS   2           HGS      LYS   2  16.195  -0.912   2.164
   14   2HG   LYS   2           HGR      LYS   2  16.385  -1.449   3.859
   15   1HD   LYS   2           HDS      LYS   2  15.685  -3.077   1.409
   16   2HD   LYS   2           HDR      LYS   2  17.136  -3.150   2.371
   17   1HE   LYS   2           HES      LYS   2  16.196  -4.372   4.033
   18   2HE   LYS   2           HER      LYS   2  14.579  -3.661   3.770
   19   1HZ   LYS   2           HZC      LYS   2  15.526  -5.206   1.577
   20   2HZ   LYS   2           HZA      LYS   2  15.359  -6.084   2.943
   21   3HZ   LYS   2           HZB      LYS   2  14.085  -5.255   2.343
   22    H    CYS   3           HN       CYS   3  12.947  -0.979   0.435
   23    HA   CYS   3           HA       CYS   3  10.402   0.174   0.590
   24   1HB   CYS   3           HBS      CYS   3  11.768  -0.353  -1.434
   25   2HB   CYS   3           HBR      CYS   3  11.307  -2.065  -1.223
   26    HA   PRO   4           HA       PRO   4   8.166  -2.998   2.806
   27   1HB   PRO   4           HBR      PRO   4   5.844  -1.604   2.446
   28   2HB   PRO   4           HBS      PRO   4   6.723  -1.696   3.831
   29   1HG   PRO   4           HGS      PRO   4   6.390   0.498   2.340
   30   2HG   PRO   4           HGR      PRO   4   7.497   0.325   3.578
   31   1HD   PRO   4           HDS      PRO   4   7.930   0.172   0.783
   32   2HD   PRO   4           HDR      PRO   4   9.002   0.599   1.969
   33    H    LYS   5           HN       LYS   5   7.885  -1.895  -0.332
   34    HA   LYS   5           HA       LYS   5   5.733  -3.733  -1.112
   35   1HB   LYS   5           HBR      LYS   5   6.812  -1.379  -2.187
   36   2HB   LYS   5           HBS      LYS   5   7.333  -2.682  -3.293
   37   1HG   LYS   5           HGS      LYS   5   4.490  -1.963  -2.486
   38   2HG   LYS   5           HGR      LYS   5   5.242  -1.798  -4.099
   39   1HD   LYS   5           HDS      LYS   5   5.172  -4.498  -2.828
   40   2HD   LYS   5           HDR      LYS   5   3.649  -3.816  -3.327
   41   1HE   LYS   5           HES      LYS   5   4.022  -4.232  -5.466
   42   2HE   LYS   5           HER      LYS   5   5.635  -3.471  -5.387
   43   1HZ   LYS   5           HZA      LYS   5   5.069  -6.195  -4.451
   44   2HZ   LYS   5           HZB      LYS   5   5.646  -5.850  -5.939
   45   3HZ   LYS   5           HZC      LYS   5   6.535  -5.493  -4.617
   46    H    CYS   6           HN       CYS   6   9.051  -3.235  -2.367
   47    HA   CYS   6           HA       CYS   6   8.844  -5.980  -3.399
   48   1HB   CYS   6           HBS      CYS   6  10.553  -5.352  -4.988
   49   2HB   CYS   6           HBR      CYS   6   9.167  -4.231  -5.005
   50    H    ASP   7           HN       ASP   7  10.509  -4.252  -0.966
   51    HA   ASP   7           HA       ASP   7  12.171  -4.782   0.478
   52   1HB   ASP   7           HBR      ASP   7  12.379  -7.521  -0.755
   53   2HB   ASP   7           HBS      ASP   7  12.894  -6.970   0.865
   54    H    LYS   8           HN       LYS   8  12.950  -3.107  -1.120
   55    HA   LYS   8           HA       LYS   8  15.752  -3.990  -1.466
   56   1HB   LYS   8           HBS      LYS   8  14.189  -3.006  -3.611
   57   2HB   LYS   8           HBR      LYS   8  15.257  -1.669  -3.102
   58   1HG   LYS   8           HGS      LYS   8  16.818  -4.067  -3.179
   59   2HG   LYS   8           HGR      LYS   8  15.885  -3.963  -4.700
   60   1HD   LYS   8           HDR      LYS   8  16.788  -1.822  -5.175
   61   2HD   LYS   8           HDS      LYS   8  17.474  -1.649  -3.582
   62   1HE   LYS   8           HER      LYS   8  18.767  -3.852  -4.294
   63   2HE   LYS   8           HES      LYS   8  18.418  -3.225  -5.931
   64   1HZ   LYS   8           HZA      LYS   8  19.443  -1.151  -5.235
   65   2HZ   LYS   8           HZB      LYS   8  19.825  -1.794  -3.783
   66   3HZ   LYS   8           HZC      LYS   8  20.494  -2.398  -5.145
   67    H    GLU   9           HN       GLU   9  16.950  -1.606  -1.793
   68    HA   GLU   9           HA       GLU   9  15.978   0.108   0.458
   69   1HB   GLU   9           HBR      GLU   9  18.647   0.551  -0.726
   70   2HB   GLU   9           HBS      GLU   9  18.063   0.792   0.825
   71   1HG   GLU   9           HGS      GLU   9  17.865  -1.790   1.020
   72   2HG   GLU   9           HGR      GLU   9  19.106  -1.832  -0.261
   73    H    VAL  10           HN       VAL  10  16.016   2.380   0.075
   74    HA   VAL  10           HA       VAL  10  15.238   2.863  -2.750
   75    HB   VAL  10           HB       VAL  10  13.903   3.580  -0.135
   76   1HG1  VAL  10           HMG      VAL  10  13.803   5.244  -2.290
   77   2HG1  VAL  10           HMG      VAL  10  12.417   4.175  -2.610
   78   3HG1  VAL  10           HMG      VAL  10  12.516   5.069  -1.074
   79   1HG2  VAL  10           HMG      VAL  10  13.757   1.292  -1.669
   80   2HG2  VAL  10           HMG      VAL  10  12.588   1.825  -0.440
   81   3HG2  VAL  10           HMG      VAL  10  12.311   2.218  -2.152
   82    H    TYR  11           HN       TYR  11  16.259   4.391  -3.762
   83    HA   TYR  11           HA       TYR  11  18.087   6.182  -2.318
   84   1HB   TYR  11           HBS      TYR  11  18.566   4.980  -4.556
   85   2HB   TYR  11           HBR      TYR  11  17.518   6.228  -5.287
   86    HD1  TYR  11           HD1      TYR  11  19.953   6.679  -2.480
   87    HD2  TYR  11           HD2      TYR  11  19.082   7.434  -6.575
   88    HE1  TYR  11           HE1      TYR  11  21.932   8.128  -2.628
   89    HE2  TYR  11           HE2      TYR  11  21.052   8.890  -6.733
   90    HH   TYR  11           HH       TYR  11  22.210  10.460  -4.591
   91    H    PHE  12           HN       PHE  12  18.066   8.501  -2.876
   92    HA   PHE  12           HA       PHE  12  15.865   9.437  -1.601
   93   1HB   PHE  12           HBS      PHE  12  17.913  10.979  -3.226
   94   2HB   PHE  12           HBR      PHE  12  16.581  11.799  -2.358
   95    HD1  PHE  12           HD2      PHE  12  18.439   8.766  -1.132
   96    HD2  PHE  12           HD1      PHE  12  17.741  12.956  -0.786
   97    HE1  PHE  12           HE2      PHE  12  19.800   8.817   0.933
   98    HE2  PHE  12           HE1      PHE  12  19.087  13.032   1.263
   99    HZ   PHE  12           HZ       PHE  12  20.169  10.978   2.092
  100    H    ALA  13           HN       ALA  13  16.564  10.560  -4.935
  101    HA   ALA  13           HA       ALA  13  14.011  11.366  -5.358
  102   1HB   ALA  13           HMB      ALA  13  16.474  11.354  -6.717
  103   2HB   ALA  13           HMB      ALA  13  15.297  10.687  -7.874
  104   3HB   ALA  13           HMB      ALA  13  15.021  12.290  -7.147
  105    H    GLU  14           HN       GLU  14  14.953   8.181  -5.337
  106    HA   GLU  14           HA       GLU  14  12.367   7.447  -6.635
  107   1HB   GLU  14           HBR      GLU  14  13.250   5.287  -7.099
  108   2HB   GLU  14           HBS      GLU  14  14.163   6.498  -7.819
  109   1HG   GLU  14           HGR      GLU  14  15.766   6.339  -5.690
  110   2HG   GLU  14           HGS      GLU  14  14.971   4.747  -5.555
  111    H    ARG  15           HN       ARG  15  12.812   8.577  -4.043
  112    HA   ARG  15           HA       ARG  15  11.574   6.294  -2.598
  113   1HB   ARG  15           HBR      ARG  15  12.301   6.926  -0.493
  114   2HB   ARG  15           HBS      ARG  15  13.757   7.005  -1.521
  115   1HG   ARG  15           HGS      ARG  15  14.151   9.021  -0.694
  116   2HG   ARG  15           HGR      ARG  15  12.689   9.616  -1.529
  117   1HD   ARG  15           HDR      ARG  15  11.801   8.278   0.774
  118   2HD   ARG  15           HDS      ARG  15  13.199   9.274   1.271
  119    HE   ARG  15           HE       ARG  15  10.619  10.243   0.758
  120   1HH1  ARG  15           HH1      ARG  15  13.990  11.036   0.087
  121   2HH1  ARG  15           HH1      ARG  15  13.640  12.691  -0.278
  122   1HH2  ARG  15           HH2      ARG  15  10.185  12.382   0.151
  123   2HH2  ARG  15           HH2      ARG  15  11.488  13.456  -0.240
  124    H    VAL  16           HN       VAL  16   9.570   6.582  -2.016
  125    HA   VAL  16           HA       VAL  16   8.633   9.353  -1.528
  126    HB   VAL  16           HB       VAL  16   6.344   8.659  -1.893
  127   1HG1  VAL  16           HMG      VAL  16   8.080   9.303  -3.839
  128   2HG1  VAL  16           HMG      VAL  16   7.535   7.720  -4.441
  129   3HG1  VAL  16           HMG      VAL  16   6.348   9.008  -4.122
  130   1HG2  VAL  16           HMG      VAL  16   7.529   5.962  -2.543
  131   2HG2  VAL  16           HMG      VAL  16   6.281   6.377  -1.344
  132   3HG2  VAL  16           HMG      VAL  16   5.908   6.461  -3.083
  133    H    THR  17           HN       THR  17   6.643   9.029   0.132
  134    HA   THR  17           HA       THR  17   7.726   7.359   2.343
  135    HB   THR  17           HB       THR  17   6.571  10.113   2.922
  136    HG1  THR  17           HG1      THR  17   9.126   9.363   2.381
  137   1HG2  THR  17           HMG      THR  17   8.112   8.071   4.398
  138   2HG2  THR  17           HMG      THR  17   8.602   9.761   4.678
  139   3HG2  THR  17           HMG      THR  17   6.916   9.262   4.968
  140    H    SER  18           HN       SER  18   6.264   6.449   3.680
  141    HA   SER  18           HA       SER  18   3.687   7.362   4.166
  142   1HB   SER  18           HBS      SER  18   3.175   6.773   1.847
  143   2HB   SER  18           HBR      SER  18   3.649   5.080   2.167
  144    HG   SER  18           HG       SER  18   1.769   4.679   2.828
  145    H    LEU  19           HN       LEU  19   2.791   6.317   5.853
  146    HA   LEU  19           HA       LEU  19   2.879   5.165   7.825
  147   1HB   LEU  19           HBR      LEU  19   3.766   3.064   5.834
  148   2HB   LEU  19           HBS      LEU  19   3.431   2.715   7.555
  149    HG   LEU  19           HG       LEU  19   1.526   2.054   6.318
  150   1HD1  LEU  19           HMD      LEU  19   1.290   3.626   8.407
  151   2HD1  LEU  19           HMD      LEU  19   0.663   4.789   7.212
  152   3HD1  LEU  19           HMD      LEU  19  -0.140   3.213   7.428
  153   1HD2  LEU  19           HMD      LEU  19   2.219   3.492   4.332
  154   2HD2  LEU  19           HMD      LEU  19   0.470   3.376   4.657
  155   3HD2  LEU  19           HMD      LEU  19   1.370   4.837   5.137
  156    H    GLY  20           HN       GLY  20   5.205   6.735   6.907
  157   1HA   GLY  20           HAS      GLY  20   7.109   7.432   7.993
  158   2HA   GLY  20           HAR      GLY  20   6.704   6.252   9.269
  159    H    LYS  21           HN       LYS  21   6.964   4.976   6.083
  160    HA   LYS  21           HA       LYS  21   9.875   4.751   6.141
  161   1HB   LYS  21           HBR      LYS  21   8.077   2.314   6.078
  162   2HB   LYS  21           HBS      LYS  21   9.732   2.321   5.403
  163   1HG   LYS  21           HGR      LYS  21   9.050   2.998   8.290
  164   2HG   LYS  21           HGS      LYS  21   9.568   1.384   7.724
  165   1HD   LYS  21           HDR      LYS  21  11.679   1.929   7.664
  166   2HD   LYS  21           HDS      LYS  21  11.392   3.409   6.790
  167   1HE   LYS  21           HES      LYS  21  12.496   3.617   9.056
  168   2HE   LYS  21           HER      LYS  21  11.059   4.639   8.776
  169   1HZ   LYS  21           HZC      LYS  21   9.772   2.950   9.939
  170   2HZ   LYS  21           HZA      LYS  21  11.133   2.109  10.270
  171   3HZ   LYS  21           HZB      LYS  21  10.923   3.602  10.895
  172    H    ASP  22           HN       ASP  22  10.744   4.378   4.078
  173    HA   ASP  22           HA       ASP  22   9.124   5.814   2.199
  174   1HB   ASP  22           HBS      ASP  22  11.921   4.836   1.689
  175   2HB   ASP  22           HBR      ASP  22  11.079   6.255   1.008
  176    H    TRP  23           HN       TRP  23   9.232   5.305  -0.170
  177    HA   TRP  23           HA       TRP  23   9.272   2.399  -0.785
  178   1HB   TRP  23           HBR      TRP  23   7.119   4.368  -1.569
  179   2HB   TRP  23           HBS      TRP  23   7.130   2.594  -1.831
  180    HD1  TRP  23           HD1      TRP  23   6.787   5.225   0.979
  181    HE1  TRP  23           HE1      TRP  23   5.165   4.297   2.744
  182    HE3  TRP  23           HE3      TRP  23   6.187   0.556  -0.946
  183    HZ2  TRP  23           HZ2      TRP  23   3.760   1.910   3.185
  184    HZ3  TRP  23           HZ3      TRP  23   4.753  -1.031   0.254
  185    HH2  TRP  23           HH2      TRP  23   3.453  -0.334   2.198
  186    H    HIS  24           HN       ZHI  24   9.454   1.901  -3.022
  187    HA   HIS  24           HA       ZHI  24  10.819   3.855  -4.691
  188   1HB   HIS  24           HBS      ZHI  24   9.672   1.146  -5.505
  189   2HB   HIS  24           HBR      ZHI  24  10.779   2.176  -6.459
  190    HD2  HIS  24           HD2      ZHI  24  13.116   2.799  -4.465
  191    HE1  HIS  24           HE1      ZHI  24  12.928  -1.061  -2.868
  192    HE2  HIS  24           HE2      ZHI  24  14.451   0.894  -3.332
  193    H    ARG  25           HN       ARG  25  10.042   4.972  -6.388
  194    HA   ARG  25           HA       ARG  25   7.402   5.979  -6.022
  195   1HB   ARG  25           HBR      ARG  25   9.338   7.266  -6.980
  196   2HB   ARG  25           HBS      ARG  25   9.157   6.307  -8.476
  197   1HG   ARG  25           HGR      ARG  25   6.596   7.307  -7.969
  198   2HG   ARG  25           HGS      ARG  25   7.698   8.656  -7.570
  199   1HD   ARG  25           HDS      ARG  25   7.662   9.076  -9.748
  200   2HD   ARG  25           HDR      ARG  25   8.787   7.695  -9.874
  201    HE   ARG  25           HE       ARG  25   6.115   6.736  -9.945
  202   1HH1  ARG  25           HH1      ARG  25   8.591   8.278 -11.923
  203   2HH1  ARG  25           HH1      ARG  25   7.807   7.875 -13.414
  204   1HH2  ARG  25           HH2      ARG  25   5.052   6.340 -11.908
  205   2HH2  ARG  25           HH2      ARG  25   5.804   6.776 -13.405
  206    HA   PRO  26           HA       PRO  26   6.520   3.331  -9.960
  207   1HB   PRO  26           HBR      PRO  26   8.225   1.231 -10.198
  208   2HB   PRO  26           HBS      PRO  26   8.138   2.526 -11.205
  209   1HG   PRO  26           HGS      PRO  26  10.057   1.972  -9.269
  210   2HG   PRO  26           HGR      PRO  26  10.154   3.036 -10.550
  211   1HD   PRO  26           HDS      PRO  26   9.850   3.759  -7.997
  212   2HD   PRO  26           HDR      PRO  26   9.529   4.731  -9.295
  213    H    CYS  27           HN       CYS  27   7.521   2.108  -6.987
  214    HA   CYS  27           HA       CYS  27   6.048  -0.361  -7.187
  215   1HB   CYS  27           HBS      CYS  27   7.697   1.027  -5.136
  216   2HB   CYS  27           HBR      CYS  27   6.498  -0.167  -4.561
  217    H    LEU  28           HN       LEU  28   5.520   2.781  -5.606
  218    HA   LEU  28           HA       LEU  28   3.245   1.869  -4.102
  219   1HB   LEU  28           HBR      LEU  28   5.009   3.738  -3.687
  220   2HB   LEU  28           HBS      LEU  28   3.917   4.745  -4.680
  221    HG   LEU  28           HG       LEU  28   2.199   3.667  -2.830
  222   1HD1  LEU  28           HMD      LEU  28   4.943   3.711  -1.724
  223   2HD1  LEU  28           HMD      LEU  28   3.705   4.531  -0.737
  224   3HD1  LEU  28           HMD      LEU  28   3.495   2.821  -1.186
  225   1HD2  LEU  28           HMD      LEU  28   2.924   6.086  -3.758
  226   2HD2  LEU  28           HMD      LEU  28   1.884   5.865  -2.327
  227   3HD2  LEU  28           HMD      LEU  28   3.624   6.183  -2.122
  228    H    LYS  29           HN       LYS  29   1.720   1.028  -5.441
  229    HA   LYS  29           HA       LYS  29   0.242   2.867  -7.221
  230   1HB   LYS  29           HBR      LYS  29   2.241   1.030  -8.163
  231   2HB   LYS  29           HBS      LYS  29   0.627   0.463  -8.678
  232   1HG   LYS  29           HGR      LYS  29   0.174   2.659  -9.694
  233   2HG   LYS  29           HGS      LYS  29   1.783   3.235  -9.172
  234   1HD   LYS  29           HDS      LYS  29   1.355   0.889 -11.019
  235   2HD   LYS  29           HDR      LYS  29   1.547   2.532 -11.566
  236   1HE   LYS  29           HER      LYS  29   3.715   2.622 -10.307
  237   2HE   LYS  29           HES      LYS  29   3.564   0.855 -10.096
  238   1HZ   LYS  29           HZA      LYS  29   3.334   2.031 -12.752
  239   2HZ   LYS  29           HZB      LYS  29   4.814   1.792 -12.104
  240   3HZ   LYS  29           HZC      LYS  29   3.805   0.526 -12.327
  241    H    CYS  30           HN       CYS  30  -1.843   2.344  -7.427
  242    HA   CYS  30           HA       CYS  30  -3.110   0.315  -5.896
  243   1HB   CYS  30           HBS      CYS  30  -4.064   2.465  -7.003
  244   2HB   CYS  30           HBR      CYS  30  -4.315   1.400  -8.416
  245    H    GLU  31           HN       GLU  31  -3.096  -1.768  -6.133
  246    HA   GLU  31           HA       GLU  31  -2.730  -3.003  -8.791
  247   1HB   GLU  31           HBS      GLU  31  -1.511  -3.778  -6.931
  248   2HB   GLU  31           HBR      GLU  31  -2.850  -3.954  -5.935
  249   1HG   GLU  31           HGS      GLU  31  -1.901  -6.093  -6.867
  250   2HG   GLU  31           HGR      GLU  31  -3.632  -5.935  -7.272
  251    H    LYS  32           HN       LYS  32  -5.176  -1.438  -7.771
  252    HA   LYS  32           HA       LYS  32  -7.170  -3.481  -8.634
  253   1HB   LYS  32           HBR      LYS  32  -7.417  -1.879  -6.458
  254   2HB   LYS  32           HBS      LYS  32  -8.105  -0.820  -7.721
  255   1HG   LYS  32           HGR      LYS  32  -9.798  -2.231  -6.514
  256   2HG   LYS  32           HGS      LYS  32  -9.779  -2.454  -8.284
  257   1HD   LYS  32           HDS      LYS  32  -8.097  -4.289  -6.670
  258   2HD   LYS  32           HDR      LYS  32  -9.823  -4.448  -6.500
  259   1HE   LYS  32           HER      LYS  32  -9.741  -4.341  -9.147
  260   2HE   LYS  32           HES      LYS  32  -8.108  -5.002  -8.851
  261   1HZ   LYS  32           HZB      LYS  32 -10.259  -6.215  -7.376
  262   2HZ   LYS  32           HZC      LYS  32 -10.273  -6.487  -8.987
  263   3HZ   LYS  32           HZA      LYS  32  -8.967  -6.904  -8.101
  264    H    CYS  33           HN       CYS  33  -6.677   0.066  -8.797
  265    HA   CYS  33           HA       CYS  33  -7.810  -0.061 -11.488
  266   1HB   CYS  33           HBS      CYS  33  -8.347   2.242 -11.234
  267   2HB   CYS  33           HBR      CYS  33  -8.834   1.321  -9.786
  268    H    GLY  34           HN       GLY  34  -4.732   0.265 -10.094
  269   1HA   GLY  34           HAR      GLY  34  -2.674   0.402 -11.122
  270   2HA   GLY  34           HAS      GLY  34  -3.519   0.545 -12.687
  271    H    LYS  35           HN       LYS  35  -4.018   2.658  -9.888
  272    HA   LYS  35           HA       LYS  35  -2.946   4.981 -11.391
  273   1HB   LYS  35           HBS      LYS  35  -5.013   4.651  -9.447
  274   2HB   LYS  35           HBR      LYS  35  -3.720   5.649  -8.723
  275   1HG   LYS  35           HGS      LYS  35  -4.375   6.444 -11.474
  276   2HG   LYS  35           HGR      LYS  35  -5.770   6.554 -10.363
  277   1HD   LYS  35           HDS      LYS  35  -3.044   7.732  -9.780
  278   2HD   LYS  35           HDR      LYS  35  -4.267   8.585 -10.683
  279   1HE   LYS  35           HES      LYS  35  -4.429   9.341  -8.455
  280   2HE   LYS  35           HER      LYS  35  -5.834   8.281  -8.772
  281   1HZ   LYS  35           HZB      LYS  35  -3.412   7.175  -7.589
  282   2HZ   LYS  35           HZC      LYS  35  -4.477   7.976  -6.645
  283   3HZ   LYS  35           HZA      LYS  35  -4.952   6.648  -7.469
  284    H    THR  36           HN       THR  36  -0.954   5.629 -11.093
  285    HA   THR  36           HA       THR  36   0.835   4.756  -9.009
  286    HB   THR  36           HB       THR  36   0.890   7.224 -10.837
  287    HG1  THR  36           HG1      THR  36   2.230   4.865 -10.685
  288   1HG2  THR  36           HMG      THR  36   2.814   6.306  -8.742
  289   2HG2  THR  36           HMG      THR  36   3.450   6.997 -10.256
  290   3HG2  THR  36           HMG      THR  36   2.342   7.951  -9.238
  291    H    LEU  37           HN       LEU  37   1.263   5.612  -7.065
  292    HA   LEU  37           HA       LEU  37  -1.045   7.082  -5.979
  293   1HB   LEU  37           HBS      LEU  37   1.078   5.312  -4.726
  294   2HB   LEU  37           HBR      LEU  37  -0.312   6.033  -3.864
  295    HG   LEU  37           HG       LEU  37  -0.563   4.079  -6.162
  296   1HD1  LEU  37           HMD      LEU  37   0.550   3.050  -4.208
  297   2HD1  LEU  37           HMD      LEU  37  -0.793   3.593  -3.172
  298   3HD1  LEU  37           HMD      LEU  37  -1.090   2.407  -4.469
  299   1HD2  LEU  37           HMD      LEU  37  -2.365   5.712  -4.502
  300   2HD2  LEU  37           HMD      LEU  37  -2.636   4.948  -6.089
  301   3HD2  LEU  37           HMD      LEU  37  -2.819   3.992  -4.597
  302    H    THR  38           HN       THR  38  -0.811   9.184  -5.820
  303    HA   THR  38           HA       THR  38   1.907  10.284  -5.283
  304    HB   THR  38           HB       THR  38   0.865  10.745  -7.589
  305    HG1  THR  38           HG1      THR  38   2.360  11.704  -6.936
  306   1HG2  THR  38           HMG      THR  38  -1.021  12.414  -5.915
  307   2HG2  THR  38           HMG      THR  38  -0.686  12.743  -7.634
  308   3HG2  THR  38           HMG      THR  38  -1.422  11.195  -7.152
  309    H    SER  39           HN       SER  39   1.269  12.866  -4.801
  310    HA   SER  39           HA       SER  39   0.555  14.370  -3.241
  311   1HB   SER  39           HBR      SER  39  -1.395  14.136  -4.638
  312   2HB   SER  39           HBS      SER  39  -1.947  12.724  -3.693
  313    HG   SER  39           HG       SER  39  -2.369  15.382  -3.368
  314    H    GLY  40           HN       GLY  40  -1.677  11.944  -2.007
  315   1HA   GLY  40           HAR      GLY  40  -0.018  10.513  -0.384
  316   2HA   GLY  40           HAS      GLY  40  -0.573  11.829   0.688
  317    H    GLY  41           HN       GLY  41  -2.166  10.003  -1.944
  318   1HA   GLY  41           HAR      GLY  41  -4.568   9.827  -0.192
  319   2HA   GLY  41           HAS      GLY  41  -4.574  10.059  -1.960
  320    H    HIS  42           HN       HIS  42  -2.204   7.818  -1.019
  321    HA   HIS  42           HA       HIS  42  -3.926   5.558  -1.679
  322   1HB   HIS  42           HBS      HIS  42  -1.915   4.241  -1.864
  323   2HB   HIS  42           HBR      HIS  42  -1.684   5.789  -2.725
  324    HD1  HIS  42           HD1      HIS  42  -0.040   3.630  -0.253
  325    HD2  HIS  42           HD2      HIS  42  -0.174   7.709  -1.086
  326    HE1  HIS  42           HE1      HIS  42   1.843   4.676   1.030
  327    HE2  HIS  42           HE2      HIS  42   1.783   7.140   0.509
  328    H    ALA  43           HN       ALA  43  -2.746   3.468  -0.432
  329    HA   ALA  43           HA       ALA  43  -2.050   3.757   2.243
  330   1HB   ALA  43           HMB      ALA  43  -4.952   3.693   1.820
  331   2HB   ALA  43           HMB      ALA  43  -4.355   2.448   2.946
  332   3HB   ALA  43           HMB      ALA  43  -3.999   4.167   3.249
  333    H    GLU  44           HN       GLU  44  -1.831   1.685   3.341
  334    HA   GLU  44           HA       GLU  44  -1.186  -0.327   1.239
  335   1HB   GLU  44           HBR      GLU  44   0.820  -0.651   2.439
  336   2HB   GLU  44           HBS      GLU  44   0.572   0.985   2.160
  337   1HG   GLU  44           HGR      GLU  44   0.782   1.544   4.352
  338   2HG   GLU  44           HGS      GLU  44  -0.640   0.509   4.655
  339    H    HIS  45           HN       HIS  45  -1.562  -2.441   1.554
  340    HA   HIS  45           HA       HIS  45  -2.213  -3.353   4.279
  341   1HB   HIS  45           HBS      HIS  45  -4.321  -3.680   2.977
  342   2HB   HIS  45           HBR      HIS  45  -3.400  -4.622   1.767
  343    HD1  HIS  45           HD1      HIS  45  -4.919  -4.914   5.210
  344    HD2  HIS  45           HD2      HIS  45  -2.863  -7.197   2.400
  345    HE1  HIS  45           HE1      HIS  45  -5.153  -7.303   5.933
  346    HE2  HIS  45           HE2      HIS  45  -3.871  -8.686   4.262
  347    H    GLU  46           HN       GLU  46  -0.553  -4.485   4.946
  348    HA   GLU  46           HA       GLU  46   1.594  -5.254   4.972
  349   1HB   GLU  46           HBS      GLU  46   1.167  -6.039   2.121
  350   2HB   GLU  46           HBR      GLU  46   2.432  -6.575   3.085
  351   1HG   GLU  46           HGR      GLU  46   1.036  -8.214   4.157
  352   2HG   GLU  46           HGS      GLU  46  -0.323  -7.057   4.117
  353    H    GLY  47           HN       GLY  47   3.301  -5.089   2.495
  354   1HA   GLY  47           HAR      GLY  47   3.370  -2.131   2.126
  355   2HA   GLY  47           HAS      GLY  47   4.702  -3.255   1.744
  356    H    LYS  48           HN       LYS  48   1.323  -3.960   1.039
  357    HA   LYS  48           HA       LYS  48   1.802  -3.473  -1.863
  358   1HB   LYS  48           HBS      LYS  48  -0.636  -4.873  -0.836
  359   2HB   LYS  48           HBR      LYS  48   0.259  -5.088  -2.367
  360   1HG   LYS  48           HGR      LYS  48   1.523  -5.902   0.248
  361   2HG   LYS  48           HGS      LYS  48   0.317  -6.963  -0.536
  362   1HD   LYS  48           HDS      LYS  48   2.469  -5.943  -2.285
  363   2HD   LYS  48           HDR      LYS  48   2.986  -6.995  -0.995
  364   1HE   LYS  48           HER      LYS  48   0.637  -8.071  -2.251
  365   2HE   LYS  48           HES      LYS  48   1.921  -7.758  -3.454
  366   1HZ   LYS  48           HZC      LYS  48   3.293  -8.885  -1.510
  367   2HZ   LYS  48           HZA      LYS  48   1.864  -9.644  -1.287
  368   3HZ   LYS  48           HZB      LYS  48   2.620  -9.732  -2.733
  369    HA   PRO  49           HA       PRO  49  -0.693   0.064  -0.651
  370   1HB   PRO  49           HBR      PRO  49   0.269   1.649  -2.589
  371   2HB   PRO  49           HBS      PRO  49   0.830   1.604  -1.047
  372   1HG   PRO  49           HGS      PRO  49   2.013   0.572  -3.351
  373   2HG   PRO  49           HGR      PRO  49   2.733   0.939  -1.891
  374   1HD   PRO  49           HDS      PRO  49   2.165  -1.540  -2.761
  375   2HD   PRO  49           HDR      PRO  49   2.562  -1.139  -1.207
  376    H    TYR  50           HN       TYR  50  -2.489   1.152  -1.372
  377    HA   TYR  50           HA       TYR  50  -3.121   0.910  -4.201
  378   1HB   TYR  50           HBR      TYR  50  -5.264   0.085  -2.219
  379   2HB   TYR  50           HBS      TYR  50  -5.309   0.011  -4.004
  380    HD1  TYR  50           HD2      TYR  50  -3.501  -1.416  -1.061
  381    HD2  TYR  50           HD1      TYR  50  -4.920  -2.064  -5.016
  382    HE1  TYR  50           HE2      TYR  50  -2.974  -3.802  -0.849
  383    HE2  TYR  50           HE1      TYR  50  -4.395  -4.456  -4.820
  384    HH   TYR  50           HH       TYR  50  -3.183  -5.946  -3.693
  385    H    CYS  51           HN       CYS  51  -5.467   2.079  -4.391
  386    HA   CYS  51           HA       CYS  51  -5.564   4.640  -3.245
  387   1HB   CYS  51           HBS      CYS  51  -7.877   2.855  -4.044
  388   2HB   CYS  51           HBR      CYS  51  -7.988   4.596  -3.668
  389    H    ASN  52           HN       ASN  52  -5.985   5.434  -1.341
  390    HA   ASN  52           HA       ASN  52  -6.744   3.958   0.945
  391   1HB   ASN  52           HBS      ASN  52  -5.797   6.415   0.603
  392   2HB   ASN  52           HBR      ASN  52  -7.529   6.814   0.794
  393   1HD2  ASN  52           HD2      ASN  52  -6.393   7.047   4.193
  394   2HD2  ASN  52           HD2      ASN  52  -6.635   7.951   2.735
  395    H    HIS  53           HN       HIS  53  -8.645   5.567  -1.552
  396    HA   HIS  53           HA       HIS  53 -10.649   3.519  -1.167
  397   1HB   HIS  53           HBS      HIS  53 -11.407   6.429  -0.706
  398   2HB   HIS  53           HBR      HIS  53 -12.570   5.226  -1.331
  399    HD1  HIS  53           HD1      HIS  53 -13.764   3.818   0.428
  400    HD2  HIS  53           HD2      HIS  53 -10.438   5.830   1.922
  401    HE1  HIS  53           HE1      HIS  53 -13.861   3.589   2.921
  402    HE2  HIS  53           HE2      HIS  53 -11.863   4.825   3.833
  403    HA   PRO  54           HA       PRO  54 -12.780   3.510  -1.837
  404   1HB   PRO  54           HBS      PRO  54 -14.001   2.051  -3.672
  405   2HB   PRO  54           HBR      PRO  54 -14.553   3.524  -3.195
  406   1HG   PRO  54           HGS      PRO  54 -13.507   2.808  -5.633
  407   2HG   PRO  54           HGR      PRO  54 -14.156   4.286  -5.207
  408   1HD   PRO  54           HDR      PRO  54 -11.455   3.539  -5.350
  409   2HD   PRO  54           HDS      PRO  54 -12.092   5.066  -5.303
  410    H    CYS  55           HN       CYS  55 -10.461   2.508  -3.995
  411    HA   CYS  55           HA       CYS  55 -10.999  -0.102  -4.300
  412   1HB   CYS  55           HBS      CYS  55  -8.218   1.093  -4.194
  413   2HB   CYS  55           HBR      CYS  55  -8.673  -0.456  -4.959
  414    H    TYR  56           HN       TYR  56  -9.019   1.228  -1.661
  415    HA   TYR  56           HA       TYR  56  -7.982  -1.261  -0.737
  416   1HB   TYR  56           HBR      TYR  56  -6.938   0.846  -0.133
  417   2HB   TYR  56           HBS      TYR  56  -8.415   1.372   0.722
  418    HD1  TYR  56           HD2      TYR  56  -6.741  -1.958   0.823
  419    HD2  TYR  56           HD1      TYR  56  -7.654   1.601   2.966
  420    HE1  TYR  56           HE2      TYR  56  -5.996  -3.029   2.902
  421    HE2  TYR  56           HE1      TYR  56  -6.832   0.569   5.039
  422    HH   TYR  56           HH       TYR  56  -5.409  -1.174   5.777
  423    H    SER  57           HN       SER  57 -10.735   0.741   0.368
  424    HA   SER  57           HA       SER  57 -11.658  -1.170   2.287
  425   1HB   SER  57           HBS      SER  57 -13.882   0.293   1.623
  426   2HB   SER  57           HBR      SER  57 -12.676   0.716   2.873
  427    HG   SER  57           HG       SER  57 -11.798   2.219   1.734
  428    H    ALA  58           HN       ALA  58 -12.467  -0.494  -1.105
  429    HA   ALA  58           HA       ALA  58 -14.795  -2.133  -1.145
  430   1HB   ALA  58           HMB      ALA  58 -13.057  -1.118  -3.413
  431   2HB   ALA  58           HMB      ALA  58 -14.693  -1.806  -3.573
  432   3HB   ALA  58           HMB      ALA  58 -14.450  -0.281  -2.682
  433    H    MET  59           HN       MET  59 -11.445  -2.653  -2.270
  434    HA   MET  59           HA       MET  59 -11.923  -5.241  -3.432
  435   1HB   MET  59           HBR      MET  59  -9.901  -3.455  -3.573
  436   2HB   MET  59           HBS      MET  59  -9.222  -4.598  -2.385
  437   1HG   MET  59           HGS      MET  59 -10.491  -5.570  -4.979
  438   2HG   MET  59           HGR      MET  59  -8.800  -5.028  -4.926
  439   1HE   MET  59           HME      MET  59  -7.816  -6.805  -5.581
  440   2HE   MET  59           HME      MET  59  -7.119  -7.993  -4.450
  441   3HE   MET  59           HME      MET  59  -8.525  -8.435  -5.450
  442    H    PHE  60           HN       PHE  60 -10.319  -4.231  -0.391
  443    HA   PHE  60           HA       PHE  60  -9.569  -6.795   0.304
  444   1HB   PHE  60           HBR      PHE  60  -9.609  -4.203   1.710
  445   2HB   PHE  60           HBS      PHE  60  -9.771  -5.612   2.799
  446    HD1  PHE  60           HD2      PHE  60  -7.933  -7.450   2.642
  447    HD2  PHE  60           HD1      PHE  60  -7.663  -3.687   0.662
  448    HE1  PHE  60           HE2      PHE  60  -5.532  -7.858   2.205
  449    HE2  PHE  60           HE1      PHE  60  -5.279  -4.065   0.225
  450    HZ   PHE  60           HZ       PHE  60  -4.225  -6.176   0.940
  451    H    GLY  61           HN       GLY  61 -11.290  -8.206  -0.002
  452   1HA   GLY  61           HAS      GLY  61 -12.851  -8.622   2.479
  453   2HA   GLY  61           HAR      GLY  61 -13.746  -8.512   0.937
  454    HA   PRO  62           HA       PRO  62 -10.414 -12.093   1.502
  455   1HB   PRO  62           HBS      PRO  62 -11.645 -13.544   3.558
  456   2HB   PRO  62           HBR      PRO  62 -10.078 -13.062   3.462
  457   1HG   PRO  62           HGS      PRO  62 -12.062 -11.976   4.974
  458   2HG   PRO  62           HGR      PRO  62 -10.486 -11.440   4.864
  459   1HD   PRO  62           HDS      PRO  62 -12.659 -10.151   3.908
  460   2HD   PRO  62           HDR      PRO  62 -11.084  -9.770   3.576
  461    H    LYS  63           HN       LYS  63 -11.177 -12.449  -0.544
  462    HA   LYS  63           HA       LYS  63 -11.740 -14.003  -2.122
  463   1HB   LYS  63           HBR      LYS  63 -11.487 -15.576   0.378
  464   2HB   LYS  63           HBS      LYS  63 -12.439 -16.334  -0.930
  465   1HG   LYS  63           HGR      LYS  63  -9.579 -15.314  -1.149
  466   2HG   LYS  63           HGS      LYS  63 -10.085 -17.024  -1.032
  467   1HD   LYS  63           HDS      LYS  63 -11.234 -16.894  -3.138
  468   2HD   LYS  63           HDR      LYS  63 -10.954 -15.177  -3.237
  469   1HE   LYS  63           HES      LYS  63  -8.444 -15.756  -3.151
  470   2HE   LYS  63           HER      LYS  63  -8.994 -17.406  -3.560
  471   1HZ   LYS  63           HZC      LYS  63  -9.883 -15.108  -5.126
  472   2HZ   LYS  63           HZA      LYS  63  -8.437 -15.802  -5.429
  473   3HZ   LYS  63           HZB      LYS  63  -9.807 -16.680  -5.561
  474    H    GLY  64           HN       GLY  64 -13.817 -15.238   0.500
  475   1HA   GLY  64           HAS      GLY  64 -15.855 -15.931  -1.277
  476   2HA   GLY  64           HAR      GLY  64 -16.038 -15.837   0.494
  477    H    PHE  65           HN       PHE  65 -16.297 -14.070  -2.551
  478    HA   PHE  65           HA       PHE  65 -17.708 -12.411  -3.230
  479   1HB   PHE  65           HBS      PHE  65 -19.413 -13.111  -0.811
  480   2HB   PHE  65           HBR      PHE  65 -19.931 -12.429  -2.380
  481    HD1  PHE  65           HD1      PHE  65 -19.774 -13.759  -4.394
  482    HD2  PHE  65           HD2      PHE  65 -19.163 -15.552  -0.577
  483    HE1  PHE  65           HE1      PHE  65 -20.221 -15.960  -5.380
  484    HE2  PHE  65           HE2      PHE  65 -19.603 -17.783  -1.548
  485    HZ   PHE  65           HZ       PHE  65 -20.196 -17.968  -3.947
  486    H    GLY  66           HN       GLY  66 -19.382 -10.669  -1.956
  487   1HA   GLY  66           HAS      GLY  66 -17.608  -8.705  -0.721
  488   2HA   GLY  66           HAR      GLY  66 -19.375  -8.579  -0.940
  489    H    ARG  67           HN       ARG  67 -17.003 -10.614   0.830
  490    HA   ARG  67           HA       ARG  67 -18.951 -11.218   2.941
  491   1HB   ARG  67           HBR      ARG  67 -16.463 -12.338   2.008
  492   2HB   ARG  67           HBS      ARG  67 -16.342 -11.950   3.748
  493   1HG   ARG  67           HGS      ARG  67 -18.863 -13.220   3.282
  494   2HG   ARG  67           HGR      ARG  67 -17.588 -14.192   2.493
  495   1HD   ARG  67           HDS      ARG  67 -17.056 -15.023   4.458
  496   2HD   ARG  67           HDR      ARG  67 -16.563 -13.389   4.984
  497    HE   ARG  67           HE       ARG  67 -18.349 -13.482   6.414
  498   1HH1  ARG  67           HH1      ARG  67 -19.099 -15.549   3.659
  499   2HH1  ARG  67           HH1      ARG  67 -20.730 -15.825   4.169
  500   1HH2  ARG  67           HH2      ARG  67 -20.526 -13.760   6.983
  501   2HH2  ARG  67           HH2      ARG  67 -21.539 -14.813   6.052
  502    H    GLY  68           HN       GLY  68 -19.387  -9.103   3.658
  503   1HA   GLY  68           HAS      GLY  68 -17.101  -7.632   4.889
  504   2HA   GLY  68           HAR      GLY  68 -18.567  -6.885   4.201
  505    H    GLY  69           HN       GLY  69 -17.128  -7.188   6.985
  506   1HA   GLY  69           HAS      GLY  69 -19.219  -8.087   8.796
  507   2HA   GLY  69           HAR      GLY  69 -17.798  -7.088   9.203
  508    H    ALA  70           HN       ALA  70 -17.901  -4.837   8.021
  509    HA   ALA  70           HA       ALA  70 -18.894  -2.794   7.753
  510   1HB   ALA  70           HMB      ALA  70 -19.941  -4.208   5.946
  511   2HB   ALA  70           HMB      ALA  70 -21.353  -4.394   7.017
  512   3HB   ALA  70           HMB      ALA  70 -20.871  -2.774   6.451
  513    H    GLU  71           HN       GLU  71 -18.755  -2.432  10.039
  514    HA   GLU  71           HA       GLU  71 -21.308  -2.814  11.536
  515   1HB   GLU  71           HBR      GLU  71 -18.382  -2.801  12.280
  516   2HB   GLU  71           HBS      GLU  71 -19.589  -2.548  13.417
  517   1HG   GLU  71           HGR      GLU  71 -20.402  -4.909  11.963
  518   2HG   GLU  71           HGS      GLU  71 -18.691  -5.044  12.450
  519    H    SER  72           HN       SER  72 -19.023  -0.525  10.328
  520    HA   SER  72           HA       SER  72 -20.782   1.599  11.347
  521   1HB   SER  72           HBR      SER  72 -18.850   1.565  12.898
  522   2HB   SER  72           HBS      SER  72 -17.768   1.846  11.503
  523    HG   SER  72           HG       SER  72 -18.823   3.622  13.047
  524    H    HIS  73           HN       HIS  73 -21.663   1.768   9.345
  525    HA   HIS  73           HA       HIS  73 -21.938   2.799   7.332
  526   1HB   HIS  73           HBR      HIS  73 -20.170   4.444   8.715
  527   2HB   HIS  73           HBS      HIS  73 -19.331   4.154   7.163
  528    HD1  HIS  73           HD1      HIS  73 -23.074   4.764   7.915
  529    HD2  HIS  73           HD2      HIS  73 -19.933   6.274   5.633
  530    HE1  HIS  73           HE1      HIS  73 -24.006   6.699   6.623
  531    HE2  HIS  73           HE2      HIS  73 -22.105   7.630   5.256
  532    H    THR  74           HN       THR  74 -18.384   2.625   7.221
  533    HA   THR  74           HA       THR  74 -18.657   0.982   4.751
  534    HB   THR  74           HB       THR  74 -16.394   2.972   5.063
  535    HG1  THR  74           HG1      THR  74 -17.436   4.467   4.789
  536   1HG2  THR  74           HMG      THR  74 -17.842   1.636   2.837
  537   2HG2  THR  74           HMG      THR  74 -17.257   3.295   2.549
  538   3HG2  THR  74           HMG      THR  74 -16.111   2.017   3.026
  539    H    PHE  75           HN       PHE  75 -16.230   0.363   4.095
  540    HA   PHE  75           HA       PHE  75 -15.634  -1.614   6.132
  541   1HB   PHE  75           HBR      PHE  75 -14.587  -1.226   3.301
  542   2HB   PHE  75           HBS      PHE  75 -13.997  -2.501   4.404
  543    HD1  PHE  75           HD1      PHE  75 -17.119  -1.057   3.064
  544    HD2  PHE  75           HD2      PHE  75 -15.114  -4.621   4.267
  545    HE1  PHE  75           HE1      PHE  75 -19.090  -2.363   2.409
  546    HE2  PHE  75           HE2      PHE  75 -17.085  -5.960   3.604
  547    HZ   PHE  75           HZ       PHE  75 -19.100  -4.808   2.736
  548    H    LYS  76           HN       LYS  76 -13.322  -2.252   6.496
  549    HA   LYS  76           HA       LYS  76 -11.328  -0.146   6.190
  550   1HB   LYS  76           HBR      LYS  76 -11.790  -1.271   8.963
  551   2HB   LYS  76           HBS      LYS  76 -10.636  -0.006   8.454
  552   1HG   LYS  76           HGR      LYS  76 -12.359   1.595   8.154
  553   2HG   LYS  76           HGS      LYS  76 -13.637   0.347   8.204
  554   1HD   LYS  76           HDS      LYS  76 -13.883   1.205  10.274
  555   2HD   LYS  76           HDR      LYS  76 -12.781  -0.109  10.583
  556   1HE   LYS  76           HES      LYS  76 -11.556   2.520   9.966
  557   2HE   LYS  76           HER      LYS  76 -12.394   2.329  11.532
  558   1HZ   LYS  76           HZB      LYS  76 -11.016   0.241  11.719
  559   2HZ   LYS  76           HZC      LYS  76 -10.092   0.841  10.514
  560   3HZ   LYS  76           HZA      LYS  76 -10.238   1.663  11.919
   
  No H/Q in entry =         560
  Start of MODEL   31
    1    H    PRO   1           HN       PRO   1  14.676   1.778   6.042
    2    HA   PRO   1           HA       PRO   1  13.460   3.510   4.810
    3   1HB   PRO   1           HBR      PRO   1  15.500   4.599   3.413
    4   2HB   PRO   1           HBS      PRO   1  14.611   5.365   4.561
    5   1HG   PRO   1           HGR      PRO   1  17.219   4.388   4.769
    6   2HG   PRO   1           HGS      PRO   1  16.440   5.523   5.712
    7   1HD   PRO   1           HDS      PRO   1  16.953   3.002   6.458
    8   2HD   PRO   1           HDR      PRO   1  15.867   4.008   7.196
    9    H    LYS   2           HN       LYS   2  13.006   1.226   4.347
   10    HA   LYS   2           HA       LYS   2  14.273   0.460   1.756
   11   1HB   LYS   2           HBR      LYS   2  14.210  -1.867   2.515
   12   2HB   LYS   2           HBS      LYS   2  15.259  -0.850   3.546
   13   1HG   LYS   2           HGR      LYS   2  14.165  -2.053   5.167
   14   2HG   LYS   2           HGS      LYS   2  13.044  -0.670   5.010
   15   1HD   LYS   2           HDR      LYS   2  11.607  -1.912   3.568
   16   2HD   LYS   2           HDS      LYS   2  12.701  -3.268   3.518
   17   1HE   LYS   2           HES      LYS   2  11.222  -4.026   5.080
   18   2HE   LYS   2           HER      LYS   2  12.370  -3.168   6.147
   19   1HZ   LYS   2           HZA      LYS   2  10.150  -1.672   5.037
   20   2HZ   LYS   2           HZB      LYS   2   9.828  -2.718   6.250
   21   3HZ   LYS   2           HZC      LYS   2  10.902  -1.509   6.478
   22    H    CYS   3           HN       CYS   3  13.018  -0.657   0.313
   23    HA   CYS   3           HA       CYS   3  10.354   0.217   0.364
   24   1HB   CYS   3           HBS      CYS   3  11.926   0.121  -1.570
   25   2HB   CYS   3           HBR      CYS   3  11.656  -1.645  -1.625
   26    HA   PRO   4           HA       PRO   4   8.356  -3.458   1.943
   27   1HB   PRO   4           HBR      PRO   4   5.928  -2.233   1.694
   28   2HB   PRO   4           HBS      PRO   4   6.760  -2.476   3.088
   29   1HG   PRO   4           HGS      PRO   4   6.277  -0.103   1.949
   30   2HG   PRO   4           HGR      PRO   4   7.337  -0.379   3.208
   31   1HD   PRO   4           HDS      PRO   4   7.912  -0.013   0.462
   32   2HD   PRO   4           HDR      PRO   4   8.889   0.277   1.766
   33    H    LYS   5           HN       LYS   5   8.246  -1.975  -1.002
   34    HA   LYS   5           HA       LYS   5   6.187  -3.735  -2.170
   35   1HB   LYS   5           HBR      LYS   5   7.103  -1.190  -2.805
   36   2HB   LYS   5           HBS      LYS   5   7.865  -2.238  -4.037
   37   1HG   LYS   5           HGS      LYS   5   4.893  -2.006  -3.420
   38   2HG   LYS   5           HGR      LYS   5   5.740  -1.400  -4.871
   39   1HD   LYS   5           HDR      LYS   5   5.343  -4.261  -3.993
   40   2HD   LYS   5           HDS      LYS   5   4.504  -3.465  -5.297
   41   1HE   LYS   5           HER      LYS   5   6.469  -3.347  -6.616
   42   2HE   LYS   5           HES      LYS   5   7.506  -3.806  -5.235
   43   1HZ   LYS   5           HZA      LYS   5   6.386  -5.944  -5.244
   44   2HZ   LYS   5           HZB      LYS   5   5.512  -5.518  -6.556
   45   3HZ   LYS   5           HZC      LYS   5   7.135  -5.663  -6.667
   46    H    CYS   6           HN       CYS   6   9.499  -2.875  -3.218
   47    HA   CYS   6           HA       CYS   6   9.557  -5.465  -4.571
   48   1HB   CYS   6           HBS      CYS   6  11.417  -4.550  -5.844
   49   2HB   CYS   6           HBR      CYS   6   9.967  -3.514  -5.888
   50    H    ASP   7           HN       ASP   7  10.880  -4.060  -1.755
   51    HA   ASP   7           HA       ASP   7  12.473  -4.677  -0.269
   52   1HB   ASP   7           HBS      ASP   7  11.543  -7.015  -0.859
   53   2HB   ASP   7           HBR      ASP   7  13.084  -7.208  -1.742
   54    H    LYS   8           HN       LYS   8  13.256  -2.781  -1.643
   55    HA   LYS   8           HA       LYS   8  16.125  -3.474  -1.987
   56   1HB   LYS   8           HBS      LYS   8  14.693  -2.403  -4.056
   57   2HB   LYS   8           HBR      LYS   8  15.259  -0.931  -3.217
   58   1HG   LYS   8           HGS      LYS   8  17.488  -1.364  -3.668
   59   2HG   LYS   8           HGR      LYS   8  17.230  -3.127  -3.805
   60   1HD   LYS   8           HDS      LYS   8  17.780  -2.126  -5.950
   61   2HD   LYS   8           HDR      LYS   8  16.194  -2.847  -5.942
   62   1HE   LYS   8           HER      LYS   8  16.316  -0.682  -7.121
   63   2HE   LYS   8           HES      LYS   8  15.099  -0.741  -5.814
   64   1HZ   LYS   8           HZC      LYS   8  16.872   0.289  -4.412
   65   2HZ   LYS   8           HZA      LYS   8  17.715   0.577  -5.779
   66   3HZ   LYS   8           HZB      LYS   8  16.242   1.253  -5.571
   67    H    GLU   9           HN       GLU   9  17.179  -0.990  -1.871
   68    HA   GLU   9           HA       GLU   9  15.964   0.338   0.519
   69   1HB   GLU   9           HBR      GLU   9  18.633   1.196  -0.343
   70   2HB   GLU   9           HBS      GLU   9  17.939   1.056   1.173
   71   1HG   GLU   9           HGS      GLU   9  19.216  -0.662   1.602
   72   2HG   GLU   9           HGR      GLU   9  18.142  -1.650   0.577
   73    H    VAL  10           HN       VAL  10  15.731   2.591   0.402
   74    HA   VAL  10           HA       VAL  10  15.059   3.273  -2.389
   75    HB   VAL  10           HB       VAL  10  13.741   3.768   0.275
   76   1HG1  VAL  10           HMG      VAL  10  13.612   5.832  -1.240
   77   2HG1  VAL  10           HMG      VAL  10  12.582   4.837  -2.296
   78   3HG1  VAL  10           HMG      VAL  10  12.088   5.156  -0.617
   79   1HG2  VAL  10           HMG      VAL  10  13.563   1.672  -1.429
   80   2HG2  VAL  10           HMG      VAL  10  12.294   2.174  -0.289
   81   3HG2  VAL  10           HMG      VAL  10  12.211   2.690  -1.990
   82    H    TYR  11           HN       TYR  11  15.988   4.866  -3.375
   83    HA   TYR  11           HA       TYR  11  17.862   6.606  -1.893
   84   1HB   TYR  11           HBR      TYR  11  17.935   5.422  -4.427
   85   2HB   TYR  11           HBS      TYR  11  17.571   7.142  -4.747
   86    HD1  TYR  11           HD2      TYR  11  19.927   4.974  -2.809
   87    HD2  TYR  11           HD1      TYR  11  19.360   8.673  -4.831
   88    HE1  TYR  11           HE2      TYR  11  22.282   5.538  -2.419
   89    HE2  TYR  11           HE1      TYR  11  21.725   9.237  -4.472
   90    HH   TYR  11           HH       TYR  11  23.426   7.990  -2.048
   91    H    PHE  12           HN       PHE  12  17.733   8.863  -2.020
   92    HA   PHE  12           HA       PHE  12  15.332   9.575  -0.991
   93   1HB   PHE  12           HBR      PHE  12  17.496  11.425  -2.064
   94   2HB   PHE  12           HBS      PHE  12  16.062  12.005  -1.167
   95    HD1  PHE  12           HD1      PHE  12  15.583  10.404   0.932
   96    HD2  PHE  12           HD2      PHE  12  19.424  11.361  -0.647
   97    HE1  PHE  12           HE1      PHE  12  16.579   9.927   3.122
   98    HE2  PHE  12           HE2      PHE  12  20.451  10.897   1.555
   99    HZ   PHE  12           HZ       PHE  12  19.019  10.120   3.423
  100    H    ALA  13           HN       ALA  13  16.531  10.898  -4.105
  101    HA   ALA  13           HA       ALA  13  14.192  12.163  -4.615
  102   1HB   ALA  13           HMB      ALA  13  16.681  11.522  -6.064
  103   2HB   ALA  13           HMB      ALA  13  15.309  11.931  -7.125
  104   3HB   ALA  13           HMB      ALA  13  15.844  13.083  -5.877
  105    H    GLU  14           HN       GLU  14  14.602   8.882  -4.927
  106    HA   GLU  14           HA       GLU  14  12.338   8.636  -6.828
  107   1HB   GLU  14           HBR      GLU  14  13.505   6.263  -5.515
  108   2HB   GLU  14           HBS      GLU  14  12.930   6.512  -7.067
  109   1HG   GLU  14           HGR      GLU  14  15.054   8.100  -7.427
  110   2HG   GLU  14           HGS      GLU  14  15.650   7.137  -6.050
  111    H    ARG  15           HN       ARG  15  12.402   9.507  -3.780
  112    HA   ARG  15           HA       ARG  15  11.338   7.157  -2.426
  113   1HB   ARG  15           HBR      ARG  15  11.463   8.367  -0.404
  114   2HB   ARG  15           HBS      ARG  15  12.926   8.774  -1.340
  115   1HG   ARG  15           HGR      ARG  15  12.496  10.931  -1.083
  116   2HG   ARG  15           HGS      ARG  15  10.933  10.735  -1.926
  117   1HD   ARG  15           HDR      ARG  15  10.659  11.715   0.285
  118   2HD   ARG  15           HDS      ARG  15   9.862  10.122   0.154
  119    HE   ARG  15           HE       ARG  15  11.144   9.503   1.949
  120   1HH1  ARG  15           HH1      ARG  15  12.853  12.090   0.273
  121   2HH1  ARG  15           HH1      ARG  15  14.269  11.944   1.261
  122   1HH2  ARG  15           HH2      ARG  15  13.058   9.255   3.139
  123   2HH2  ARG  15           HH2      ARG  15  14.384  10.339   2.884
  124    H    VAL  16           HN       VAL  16   9.377   6.947  -1.398
  125    HA   VAL  16           HA       VAL  16   7.598   9.216  -1.261
  126    HB   VAL  16           HB       VAL  16   5.630   8.180  -2.170
  127   1HG1  VAL  16           HMG      VAL  16   7.925   8.173  -4.143
  128   2HG1  VAL  16           HMG      VAL  16   6.201   8.124  -4.588
  129   3HG1  VAL  16           HMG      VAL  16   6.859   9.535  -3.725
  130   1HG2  VAL  16           HMG      VAL  16   6.176   5.834  -1.712
  131   2HG2  VAL  16           HMG      VAL  16   5.634   6.085  -3.389
  132   3HG2  VAL  16           HMG      VAL  16   7.364   5.856  -3.037
  133    H    THR  17           HN       THR  17   6.377   9.181   0.533
  134    HA   THR  17           HA       THR  17   7.167   7.018   2.418
  135    HB   THR  17           HB       THR  17   6.582   9.963   3.070
  136    HG1  THR  17           HG1      THR  17   8.857   8.497   2.814
  137   1HG2  THR  17           HMG      THR  17   7.286   7.617   4.709
  138   2HG2  THR  17           HMG      THR  17   8.244   9.085   5.030
  139   3HG2  THR  17           HMG      THR  17   6.466   9.138   5.146
  140    H    SER  18           HN       SER  18   5.726   6.118   3.756
  141    HA   SER  18           HA       SER  18   2.981   6.815   4.055
  142   1HB   SER  18           HBR      SER  18   3.010   6.521   1.588
  143   2HB   SER  18           HBS      SER  18   3.514   4.825   1.837
  144    HG   SER  18           HG       SER  18   1.141   6.190   2.822
  145    H    LEU  19           HN       LEU  19   2.011   5.502   5.466
  146    HA   LEU  19           HA       LEU  19   1.872   4.011   7.188
  147   1HB   LEU  19           HBR      LEU  19   3.290   2.324   5.110
  148   2HB   LEU  19           HBS      LEU  19   2.670   1.690   6.661
  149    HG   LEU  19           HG       LEU  19   1.096   1.106   5.004
  150   1HD1  LEU  19           HMD      LEU  19   0.319   2.355   7.178
  151   2HD1  LEU  19           HMD      LEU  19  -0.163   3.631   6.033
  152   3HD1  LEU  19           HMD      LEU  19  -0.848   1.993   5.881
  153   1HD2  LEU  19           HMD      LEU  19   2.098   3.061   3.522
  154   2HD2  LEU  19           HMD      LEU  19   0.458   2.423   3.237
  155   3HD2  LEU  19           HMD      LEU  19   0.679   3.943   4.143
  156    H    GLY  20           HN       GLY  20   4.277   5.812   6.728
  157   1HA   GLY  20           HAR      GLY  20   5.908   6.501   8.199
  158   2HA   GLY  20           HAS      GLY  20   5.436   5.147   9.258
  159    H    LYS  21           HN       LYS  21   6.208   4.270   6.026
  160    HA   LYS  21           HA       LYS  21   9.092   4.299   6.424
  161   1HB   LYS  21           HBS      LYS  21   9.213   1.935   5.376
  162   2HB   LYS  21           HBR      LYS  21   8.960   2.098   7.137
  163   1HG   LYS  21           HGS      LYS  21   6.457   1.979   5.588
  164   2HG   LYS  21           HGR      LYS  21   7.472   0.518   5.426
  165   1HD   LYS  21           HDR      LYS  21   7.451   0.157   7.755
  166   2HD   LYS  21           HDS      LYS  21   6.828   1.746   8.106
  167   1HE   LYS  21           HES      LYS  21   4.740   1.001   6.777
  168   2HE   LYS  21           HER      LYS  21   5.425  -0.640   6.949
  169   1HZ   LYS  21           HZB      LYS  21   5.541   0.472   9.426
  170   2HZ   LYS  21           HZC      LYS  21   4.079   0.928   8.861
  171   3HZ   LYS  21           HZA      LYS  21   4.475  -0.655   8.916
  172    H    ASP  22           HN       ASP  22  10.220   4.001   4.397
  173    HA   ASP  22           HA       ASP  22   8.735   5.526   2.457
  174   1HB   ASP  22           HBS      ASP  22  11.631   4.773   2.219
  175   2HB   ASP  22           HBR      ASP  22  10.774   6.214   1.596
  176    H    TRP  23           HN       TRP  23   9.135   5.210   0.101
  177    HA   TRP  23           HA       TRP  23   9.488   2.373  -0.714
  178   1HB   TRP  23           HBR      TRP  23   7.276   4.235  -1.598
  179   2HB   TRP  23           HBS      TRP  23   7.477   2.500  -2.009
  180    HD1  TRP  23           HD1      TRP  23   6.603   4.816   0.960
  181    HE1  TRP  23           HE1      TRP  23   4.872   3.610   2.431
  182    HE3  TRP  23           HE3      TRP  23   6.506   0.369  -1.502
  183    HZ2  TRP  23           HZ2      TRP  23   3.563   1.130   2.440
  184    HZ3  TRP  23           HZ3      TRP  23   5.013  -1.395  -0.683
  185    HH2  TRP  23           HH2      TRP  23   3.506  -1.003   1.197
  186    H    HIS  24           HN       ZHI  24   9.448   2.275  -3.199
  187    HA   HIS  24           HA       ZHI  24  10.974   4.509  -4.367
  188   1HB   HIS  24           HBS      ZHI  24  10.123   1.885  -5.673
  189   2HB   HIS  24           HBR      ZHI  24  11.226   3.115  -6.355
  190    HD2  HIS  24           HD2      ZHI  24  13.307   3.594  -4.064
  191    HE1  HIS  24           HE1      ZHI  24  13.245  -0.441  -2.978
  192    HE2  HIS  24           HE2      ZHI  24  14.660   1.642  -3.034
  193    H    ARG  25           HN       ARG  25  10.302   5.714  -6.102
  194    HA   ARG  25           HA       ARG  25   7.594   6.417  -6.287
  195   1HB   ARG  25           HBR      ARG  25   9.390   7.895  -7.054
  196   2HB   ARG  25           HBS      ARG  25   9.769   6.764  -8.384
  197   1HG   ARG  25           HGR      ARG  25   8.040   7.472  -9.660
  198   2HG   ARG  25           HGS      ARG  25   6.965   7.734  -8.257
  199   1HD   ARG  25           HDS      ARG  25   7.591   9.865  -8.008
  200   2HD   ARG  25           HDR      ARG  25   9.294   9.530  -8.434
  201    HE   ARG  25           HE       ARG  25   8.384   9.387 -10.831
  202   1HH1  ARG  25           HH1      ARG  25   7.182  11.583  -8.350
  203   2HH1  ARG  25           HH1      ARG  25   6.370  12.603  -9.489
  204   1HH2  ARG  25           HH2      ARG  25   7.256  10.707 -12.287
  205   2HH2  ARG  25           HH2      ARG  25   6.429  12.120 -11.721
  206    HA   PRO  26           HA       PRO  26   7.484   3.891 -10.407
  207   1HB   PRO  26           HBS      PRO  26   9.266   1.906 -10.571
  208   2HB   PRO  26           HBR      PRO  26   9.391   3.334 -11.373
  209   1HG   PRO  26           HGS      PRO  26  10.837   2.425  -9.166
  210   2HG   PRO  26           HGR      PRO  26  11.229   3.658 -10.219
  211   1HD   PRO  26           HDS      PRO  26  10.282   3.962  -7.703
  212   2HD   PRO  26           HDR      PRO  26  10.447   5.160  -8.831
  213    H    CYS  27           HN       CYS  27   8.169   2.461  -7.413
  214    HA   CYS  27           HA       CYS  27   6.777   0.039  -7.958
  215   1HB   CYS  27           HBS      CYS  27   7.961   1.335  -5.530
  216   2HB   CYS  27           HBR      CYS  27   6.884  -0.079  -5.344
  217    H    LEU  28           HN       LEU  28   5.912   2.906  -6.003
  218    HA   LEU  28           HA       LEU  28   3.734   1.668  -4.752
  219   1HB   LEU  28           HBS      LEU  28   5.178   3.709  -4.157
  220   2HB   LEU  28           HBR      LEU  28   4.027   4.645  -5.154
  221    HG   LEU  28           HG       LEU  28   2.282   3.429  -3.526
  222   1HD1  LEU  28           HMD      LEU  28   4.632   2.600  -2.388
  223   2HD1  LEU  28           HMD      LEU  28   4.285   4.084  -1.466
  224   3HD1  LEU  28           HMD      LEU  28   3.080   2.772  -1.526
  225   1HD2  LEU  28           HMD      LEU  28   3.383   5.959  -3.936
  226   2HD2  LEU  28           HMD      LEU  28   1.922   5.570  -2.994
  227   3HD2  LEU  28           HMD      LEU  28   3.499   5.704  -2.175
  228    H    LYS  29           HN       LYS  29   2.265   0.721  -6.051
  229    HA   LYS  29           HA       LYS  29   0.515   2.494  -7.633
  230   1HB   LYS  29           HBS      LYS  29   0.498   1.028  -9.553
  231   2HB   LYS  29           HBR      LYS  29   2.146   1.656  -9.268
  232   1HG   LYS  29           HGR      LYS  29   2.836  -0.472  -8.310
  233   2HG   LYS  29           HGS      LYS  29   1.170  -1.106  -8.442
  234   1HD   LYS  29           HDR      LYS  29   2.778  -0.197 -10.808
  235   2HD   LYS  29           HDS      LYS  29   2.866  -1.827 -10.200
  236   1HE   LYS  29           HES      LYS  29   0.368  -0.419 -11.171
  237   2HE   LYS  29           HER      LYS  29   1.331  -1.621 -12.077
  238   1HZ   LYS  29           HZC      LYS  29  -0.053  -2.129  -9.533
  239   2HZ   LYS  29           HZA      LYS  29  -0.582  -2.599 -11.006
  240   3HZ   LYS  29           HZB      LYS  29   0.798  -3.223 -10.395
  241    H    CYS  30           HN       CYS  30  -1.562   1.886  -7.577
  242    HA   CYS  30           HA       CYS  30  -2.595  -0.041  -5.891
  243   1HB   CYS  30           HBS      CYS  30  -3.758   1.875  -7.158
  244   2HB   CYS  30           HBR      CYS  30  -4.017   0.654  -8.439
  245    H    GLU  31           HN       GLU  31  -2.445  -2.136  -5.830
  246    HA   GLU  31           HA       GLU  31  -2.191  -3.738  -8.276
  247   1HB   GLU  31           HBR      GLU  31  -1.156  -3.950  -5.840
  248   2HB   GLU  31           HBS      GLU  31  -2.633  -4.665  -5.489
  249   1HG   GLU  31           HGS      GLU  31  -2.032  -6.630  -6.220
  250   2HG   GLU  31           HGR      GLU  31  -1.796  -6.005  -7.875
  251    H    LYS  32           HN       LYS  32  -4.680  -2.124  -7.463
  252    HA   LYS  32           HA       LYS  32  -6.572  -4.363  -8.020
  253   1HB   LYS  32           HBR      LYS  32  -6.652  -2.226  -6.110
  254   2HB   LYS  32           HBS      LYS  32  -7.957  -1.985  -7.306
  255   1HG   LYS  32           HGS      LYS  32  -7.474  -4.430  -5.565
  256   2HG   LYS  32           HGR      LYS  32  -8.833  -3.276  -5.466
  257   1HD   LYS  32           HDR      LYS  32  -9.920  -4.767  -6.680
  258   2HD   LYS  32           HDS      LYS  32  -9.056  -4.097  -8.036
  259   1HE   LYS  32           HES      LYS  32  -9.108  -6.654  -7.718
  260   2HE   LYS  32           HER      LYS  32  -7.556  -5.867  -8.121
  261   1HZ   LYS  32           HZB      LYS  32  -8.169  -6.155  -5.321
  262   2HZ   LYS  32           HZC      LYS  32  -7.837  -7.537  -6.126
  263   3HZ   LYS  32           HZA      LYS  32  -6.745  -6.323  -6.104
  264    H    CYS  33           HN       CYS  33  -6.246  -0.826  -8.551
  265    HA   CYS  33           HA       CYS  33  -7.611  -1.247 -11.120
  266   1HB   CYS  33           HBS      CYS  33  -8.268   1.030 -11.035
  267   2HB   CYS  33           HBR      CYS  33  -8.609   0.232  -9.477
  268    H    GLY  34           HN       GLY  34  -4.479  -0.663  -9.964
  269   1HA   GLY  34           HAR      GLY  34  -2.491  -0.041 -10.958
  270   2HA   GLY  34           HAS      GLY  34  -3.306  -0.211 -12.535
  271    H    LYS  35           HN       LYS  35  -3.828   1.934  -9.706
  272    HA   LYS  35           HA       LYS  35  -3.357   4.298 -11.460
  273   1HB   LYS  35           HBR      LYS  35  -5.456   4.417 -10.188
  274   2HB   LYS  35           HBS      LYS  35  -4.548   4.168  -8.669
  275   1HG   LYS  35           HGS      LYS  35  -5.194   6.558  -9.141
  276   2HG   LYS  35           HGR      LYS  35  -3.446   6.289  -8.886
  277   1HD   LYS  35           HDS      LYS  35  -3.192   6.239 -11.376
  278   2HD   LYS  35           HDR      LYS  35  -4.891   6.597 -11.521
  279   1HE   LYS  35           HER      LYS  35  -2.688   8.349 -10.541
  280   2HE   LYS  35           HES      LYS  35  -3.925   8.670 -11.790
  281   1HZ   LYS  35           HZA      LYS  35  -5.556   8.736 -10.025
  282   2HZ   LYS  35           HZB      LYS  35  -4.404   8.484  -8.895
  283   3HZ   LYS  35           HZC      LYS  35  -4.395   9.857  -9.779
  284    H    THR  36           HN       THR  36  -1.432   5.180 -11.334
  285    HA   THR  36           HA       THR  36   0.604   4.433  -9.428
  286    HB   THR  36           HB       THR  36   0.435   6.877 -11.284
  287    HG1  THR  36           HG1      THR  36   1.639   5.789 -12.483
  288   1HG2  THR  36           HMG      THR  36   2.505   5.963  -9.384
  289   2HG2  THR  36           HMG      THR  36   3.085   6.364 -11.021
  290   3HG2  THR  36           HMG      THR  36   2.194   7.579 -10.068
  291    H    LEU  37           HN       LEU  37   1.195   5.369  -7.570
  292    HA   LEU  37           HA       LEU  37  -1.083   6.743  -6.301
  293   1HB   LEU  37           HBS      LEU  37   1.205   5.035  -5.280
  294   2HB   LEU  37           HBR      LEU  37  -0.019   5.805  -4.230
  295    HG   LEU  37           HG       LEU  37  -0.608   3.752  -6.377
  296   1HD1  LEU  37           HMD      LEU  37  -0.400   3.519  -3.357
  297   2HD1  LEU  37           HMD      LEU  37  -1.081   2.273  -4.433
  298   3HD1  LEU  37           HMD      LEU  37   0.636   2.723  -4.570
  299   1HD2  LEU  37           HMD      LEU  37  -2.218   5.677  -5.199
  300   2HD2  LEU  37           HMD      LEU  37  -2.772   4.174  -5.981
  301   3HD2  LEU  37           HMD      LEU  37  -2.524   4.222  -4.216
  302    H    THR  38           HN       THR  38  -0.980   8.627  -5.278
  303    HA   THR  38           HA       THR  38   1.265  10.412  -5.398
  304    HB   THR  38           HB       THR  38  -1.250  10.381  -3.642
  305    HG1  THR  38           HG1      THR  38  -1.777  10.649  -5.383
  306   1HG2  THR  38           HMG      THR  38   1.093  12.189  -3.565
  307   2HG2  THR  38           HMG      THR  38  -0.503  12.978  -3.623
  308   3HG2  THR  38           HMG      THR  38  -0.128  11.822  -2.319
  309    H    SER  39           HN       SER  39   2.648  11.046  -3.730
  310    HA   SER  39           HA       SER  39   3.402   9.074  -1.710
  311   1HB   SER  39           HBS      SER  39   5.147  10.488  -2.537
  312   2HB   SER  39           HBR      SER  39   4.210  11.962  -2.160
  313    HG   SER  39           HG       SER  39   4.367  11.669  -0.015
  314    H    GLY  40           HN       GLY  40   1.114   8.853  -1.075
  315   1HA   GLY  40           HAR      GLY  40  -0.048   9.718   1.109
  316   2HA   GLY  40           HAS      GLY  40  -0.099  11.248   0.198
  317    H    GLY  41           HN       GLY  41  -2.392   9.930   1.077
  318   1HA   GLY  41           HAR      GLY  41  -4.449   9.266   0.422
  319   2HA   GLY  41           HAS      GLY  41  -3.899   9.849  -1.171
  320    H    HIS  42           HN       HIS  42  -1.867   7.360  -0.366
  321    HA   HIS  42           HA       HIS  42  -3.675   5.255  -1.359
  322   1HB   HIS  42           HBS      HIS  42  -1.727   4.088  -2.085
  323   2HB   HIS  42           HBR      HIS  42  -1.544   5.803  -2.557
  324    HD1  HIS  42           HD1      HIS  42   0.223   3.104  -0.730
  325    HD2  HIS  42           HD2      HIS  42   0.285   7.264  -0.900
  326    HE1  HIS  42           HE1      HIS  42   2.454   3.818   0.166
  327    HE2  HIS  42           HE2      HIS  42   2.579   6.319  -0.146
  328    H    ALA  43           HN       ALA  43  -2.340   3.014  -0.636
  329    HA   ALA  43           HA       ALA  43  -2.231   2.860   2.312
  330   1HB   ALA  43           HMB      ALA  43  -4.613   2.388   0.764
  331   2HB   ALA  43           HMB      ALA  43  -4.053   0.873   1.514
  332   3HB   ALA  43           HMB      ALA  43  -4.362   2.307   2.525
  333    H    GLU  44           HN       GLU  44  -2.512   0.189   2.612
  334    HA   GLU  44           HA       GLU  44  -1.653  -1.426   0.438
  335   1HB   GLU  44           HBS      GLU  44   0.446  -2.157   1.371
  336   2HB   GLU  44           HBR      GLU  44   0.515  -0.613   0.714
  337   1HG   GLU  44           HGS      GLU  44   1.247   0.242   2.689
  338   2HG   GLU  44           HGR      GLU  44  -0.118  -0.455   3.603
  339    H    HIS  45           HN       HIS  45  -1.139  -3.699   1.254
  340    HA   HIS  45           HA       HIS  45  -1.958  -4.155   4.037
  341   1HB   HIS  45           HBS      HIS  45  -3.171  -6.211   3.590
  342   2HB   HIS  45           HBR      HIS  45  -3.960  -4.854   2.737
  343    HD1  HIS  45           HD1      HIS  45  -1.558  -7.759   1.944
  344    HD2  HIS  45           HD2      HIS  45  -4.575  -5.458   0.225
  345    HE1  HIS  45           HE1      HIS  45  -2.100  -8.832  -0.254
  346    HE2  HIS  45           HE2      HIS  45  -4.018  -7.524  -1.234
  347    H    GLU  46           HN       GLU  46  -0.128  -4.732   4.897
  348    HA   GLU  46           HA       GLU  46   1.913  -5.722   5.268
  349   1HB   GLU  46           HBS      GLU  46   0.597  -7.812   3.587
  350   2HB   GLU  46           HBR      GLU  46   1.909  -8.114   4.590
  351   1HG   GLU  46           HGS      GLU  46   0.400  -8.646   6.202
  352   2HG   GLU  46           HGR      GLU  46  -0.055  -6.926   6.320
  353    H    GLY  47           HN       GLY  47   1.978  -3.935   3.128
  354   1HA   GLY  47           HAR      GLY  47   4.125  -3.418   2.211
  355   2HA   GLY  47           HAS      GLY  47   4.319  -5.127   1.738
  356    H    LYS  48           HN       LYS  48   1.336  -4.954   0.894
  357    HA   LYS  48           HA       LYS  48   2.025  -4.287  -1.899
  358   1HB   LYS  48           HBR      LYS  48  -0.242  -5.867  -0.649
  359   2HB   LYS  48           HBS      LYS  48  -0.111  -5.500  -2.391
  360   1HG   LYS  48           HGS      LYS  48   1.378  -7.148  -2.735
  361   2HG   LYS  48           HGR      LYS  48   2.326  -6.714  -1.284
  362   1HD   LYS  48           HDR      LYS  48   0.895  -7.983   0.108
  363   2HD   LYS  48           HDS      LYS  48  -0.308  -8.183  -1.135
  364   1HE   LYS  48           HES      LYS  48   0.705 -10.009  -1.941
  365   2HE   LYS  48           HER      LYS  48   2.290  -9.188  -1.956
  366   1HZ   LYS  48           HZA      LYS  48   2.311  -9.598   0.479
  367   2HZ   LYS  48           HZB      LYS  48   1.018 -10.580   0.289
  368   3HZ   LYS  48           HZC      LYS  48   2.433 -10.942  -0.443
  369    HA   PRO  49           HA       PRO  49  -0.157  -0.563  -0.972
  370   1HB   PRO  49           HBR      PRO  49   0.618   0.750  -3.180
  371   2HB   PRO  49           HBS      PRO  49   1.421   0.764  -1.747
  372   1HG   PRO  49           HGS      PRO  49   2.087  -0.592  -4.098
  373   2HG   PRO  49           HGR      PRO  49   3.082  -0.160  -2.829
  374   1HD   PRO  49           HDS      PRO  49   2.186  -2.640  -3.295
  375   2HD   PRO  49           HDR      PRO  49   2.835  -2.118  -1.867
  376    H    TYR  50           HN       TYR  50  -1.879   0.753  -1.619
  377    HA   TYR  50           HA       TYR  50  -3.112   0.150  -4.184
  378   1HB   TYR  50           HBR      TYR  50  -4.728  -0.287  -1.648
  379   2HB   TYR  50           HBS      TYR  50  -5.313  -0.391  -3.334
  380    HD1  TYR  50           HD2      TYR  50  -3.280  -2.044  -0.736
  381    HD2  TYR  50           HD1      TYR  50  -5.024  -2.421  -4.596
  382    HE1  TYR  50           HE2      TYR  50  -2.724  -4.433  -0.744
  383    HE2  TYR  50           HE1      TYR  50  -4.503  -4.822  -4.604
  384    HH   TYR  50           HH       TYR  50  -2.788  -6.202  -3.685
  385    H    CYS  51           HN       CYS  51  -5.092   1.592  -4.457
  386    HA   CYS  51           HA       CYS  51  -5.082   4.197  -3.463
  387   1HB   CYS  51           HBS      CYS  51  -7.518   2.483  -4.013
  388   2HB   CYS  51           HBR      CYS  51  -7.503   4.257  -3.817
  389    H    ASN  52           HN       ASN  52  -5.453   5.168  -1.627
  390    HA   ASN  52           HA       ASN  52  -6.484   3.796   0.722
  391   1HB   ASN  52           HBR      ASN  52  -4.929   5.966   0.470
  392   2HB   ASN  52           HBS      ASN  52  -6.526   6.750   0.629
  393   1HD2  ASN  52           HD2      ASN  52  -6.414   6.537   4.082
  394   2HD2  ASN  52           HD2      ASN  52  -6.782   7.437   2.649
  395    H    HIS  53           HN       HIS  53  -7.692   5.693  -1.959
  396    HA   HIS  53           HA       HIS  53 -10.219   4.304  -1.608
  397   1HB   HIS  53           HBS      HIS  53 -10.116   7.341  -1.520
  398   2HB   HIS  53           HBR      HIS  53 -11.523   6.463  -2.186
  399    HD1  HIS  53           HD1      HIS  53 -13.315   5.987  -0.473
  400    HD2  HIS  53           HD2      HIS  53  -9.564   6.555   1.250
  401    HE1  HIS  53           HE1      HIS  53 -13.679   6.063   2.006
  402    HE2  HIS  53           HE2      HIS  53 -11.413   6.404   3.053
  403    HA   PRO  54           HA       PRO  54 -12.067   4.542  -2.476
  404   1HB   PRO  54           HBS      PRO  54 -13.487   3.170  -4.281
  405   2HB   PRO  54           HBR      PRO  54 -13.767   4.734  -3.868
  406   1HG   PRO  54           HGR      PRO  54 -12.778   3.755  -6.252
  407   2HG   PRO  54           HGS      PRO  54 -13.194   5.327  -5.879
  408   1HD   PRO  54           HDS      PRO  54 -10.653   4.238  -6.043
  409   2HD   PRO  54           HDR      PRO  54 -11.064   5.822  -5.808
  410    H    CYS  55           HN       CYS  55  -9.912   2.691  -4.168
  411    HA   CYS  55           HA       CYS  55 -11.144   0.252  -4.193
  412   1HB   CYS  55           HBS      CYS  55  -8.170   0.807  -4.081
  413   2HB   CYS  55           HBR      CYS  55  -8.919  -0.746  -4.548
  414    H    TYR  56           HN       TYR  56  -8.736   1.320  -1.764
  415    HA   TYR  56           HA       TYR  56  -8.861  -1.049  -0.174
  416   1HB   TYR  56           HBR      TYR  56  -7.031   0.638  -0.071
  417   2HB   TYR  56           HBS      TYR  56  -8.165   1.773   0.717
  418    HD1  TYR  56           HD1      TYR  56  -6.762  -1.695   1.153
  419    HD2  TYR  56           HD2      TYR  56  -8.223   1.831   3.029
  420    HE1  TYR  56           HE1      TYR  56  -6.079  -2.583   3.339
  421    HE2  TYR  56           HE2      TYR  56  -7.557   0.951   5.220
  422    HH   TYR  56           HH       TYR  56  -6.480  -2.440   5.528
  423    H    SER  57           HN       SER  57 -10.442   2.148   0.159
  424    HA   SER  57           HA       SER  57 -11.938   1.498   2.431
  425   1HB   SER  57           HBS      SER  57 -13.112   3.484   2.120
  426   2HB   SER  57           HBR      SER  57 -11.502   3.793   1.407
  427    HG   SER  57           HG       SER  57 -12.232   3.976  -0.517
  428    H    ALA  58           HN       ALA  58 -12.372   0.553  -0.846
  429    HA   ALA  58           HA       ALA  58 -15.259   0.326  -0.719
  430   1HB   ALA  58           HMB      ALA  58 -13.159  -0.400  -2.767
  431   2HB   ALA  58           HMB      ALA  58 -14.893  -0.744  -2.990
  432   3HB   ALA  58           HMB      ALA  58 -14.336   0.938  -2.798
  433    H    MET  59           HN       MET  59 -12.505  -1.944  -0.821
  434    HA   MET  59           HA       MET  59 -14.418  -4.178  -0.346
  435   1HB   MET  59           HBR      MET  59 -11.859  -4.066  -1.935
  436   2HB   MET  59           HBS      MET  59 -12.443  -5.592  -1.224
  437   1HG   MET  59           HGR      MET  59 -13.396  -5.614  -3.368
  438   2HG   MET  59           HGS      MET  59 -14.724  -5.016  -2.349
  439   1HE   MET  59           HME      MET  59 -16.112  -3.680  -3.947
  440   2HE   MET  59           HME      MET  59 -15.483  -2.663  -5.267
  441   3HE   MET  59           HME      MET  59 -15.152  -4.413  -5.258
  442    H    PHE  60           HN       PHE  60 -11.406  -2.596   0.558
  443    HA   PHE  60           HA       PHE  60 -11.223  -4.280   2.992
  444   1HB   PHE  60           HBR      PHE  60  -9.419  -1.938   2.274
  445   2HB   PHE  60           HBS      PHE  60  -9.168  -3.186   3.527
  446    HD1  PHE  60           HD2      PHE  60  -9.494  -2.856  -0.237
  447    HD2  PHE  60           HD1      PHE  60  -7.899  -4.959   3.109
  448    HE1  PHE  60           HE2      PHE  60  -8.240  -4.335  -1.771
  449    HE2  PHE  60           HE1      PHE  60  -6.647  -6.440   1.607
  450    HZ   PHE  60           HZ       PHE  60  -6.862  -6.170  -0.834
  451    H    GLY  61           HN       GLY  61 -10.283  -2.350   4.738
  452   1HA   GLY  61           HAS      GLY  61 -12.794  -0.800   5.232
  453   2HA   GLY  61           HAR      GLY  61 -11.966  -1.729   6.513
  454    HA   PRO  62           HA       PRO  62 -10.354   2.709   5.772
  455   1HB   PRO  62           HBS      PRO  62 -11.701   3.854   7.833
  456   2HB   PRO  62           HBR      PRO  62 -11.959   4.141   6.237
  457   1HG   PRO  62           HGS      PRO  62 -13.481   2.625   8.015
  458   2HG   PRO  62           HGR      PRO  62 -13.937   3.239   6.532
  459   1HD   PRO  62           HDS      PRO  62 -13.425   0.665   7.009
  460   2HD   PRO  62           HDR      PRO  62 -13.442   1.357   5.507
  461    H    LYS  63           HN       LYS  63  -8.557   3.482   6.616
  462    HA   LYS  63           HA       LYS  63  -7.738   2.296   9.218
  463   1HB   LYS  63           HBR      LYS  63  -6.130   2.086   7.364
  464   2HB   LYS  63           HBS      LYS  63  -6.117   3.865   7.186
  465   1HG   LYS  63           HGR      LYS  63  -5.480   2.740   9.886
  466   2HG   LYS  63           HGS      LYS  63  -4.261   2.537   8.596
  467   1HD   LYS  63           HDS      LYS  63  -5.337   5.239   8.689
  468   2HD   LYS  63           HDR      LYS  63  -4.669   4.749  10.222
  469   1HE   LYS  63           HES      LYS  63  -2.577   4.051   9.061
  470   2HE   LYS  63           HER      LYS  63  -3.262   4.752   7.567
  471   1HZ   LYS  63           HZA      LYS  63  -3.442   6.847   8.789
  472   2HZ   LYS  63           HZB      LYS  63  -2.671   6.183  10.065
  473   3HZ   LYS  63           HZC      LYS  63  -1.895   6.345   8.638
  474    H    GLY  64           HN       GLY  64  -8.934   5.133   7.691
  475   1HA   GLY  64           HAS      GLY  64  -7.582   7.177   9.022
  476   2HA   GLY  64           HAR      GLY  64  -9.225   7.321   8.344
  477    H    PHE  65           HN       PHE  65  -8.940   8.824  10.414
  478    HA   PHE  65           HA       PHE  65  -8.877   7.635  12.970
  479   1HB   PHE  65           HBS      PHE  65  -9.529  10.385  11.959
  480   2HB   PHE  65           HBR      PHE  65 -10.061   9.949  13.609
  481    HD1  PHE  65           HD2      PHE  65  -7.841   8.318  14.658
  482    HD2  PHE  65           HD1      PHE  65  -7.792  11.763  12.151
  483    HE1  PHE  65           HE2      PHE  65  -5.535   8.819  15.400
  484    HE2  PHE  65           HE1      PHE  65  -5.505  12.281  12.868
  485    HZ   PHE  65           HZ       PHE  65  -4.350  10.777  14.447
  486    H    GLY  66           HN       GLY  66 -10.803   8.583  14.533
  487   1HA   GLY  66           HAS      GLY  66 -13.433   8.695  13.666
  488   2HA   GLY  66           HAR      GLY  66 -13.159   6.976  14.056
  489    H    ARG  67           HN       ARG  67 -13.038  10.286  15.325
  490    HA   ARG  67           HA       ARG  67 -14.444   9.572  17.650
  491   1HB   ARG  67           HBR      ARG  67 -12.857   9.905  19.417
  492   2HB   ARG  67           HBS      ARG  67 -12.302   8.567  18.369
  493   1HG   ARG  67           HGS      ARG  67 -10.685  10.084  17.300
  494   2HG   ARG  67           HGR      ARG  67 -11.236  11.413  18.361
  495   1HD   ARG  67           HDS      ARG  67 -10.057   8.797  19.300
  496   2HD   ARG  67           HDR      ARG  67  -9.162  10.333  19.130
  497    HE   ARG  67           HE       ARG  67 -10.946  11.201  20.794
  498   1HH1  ARG  67           HH1      ARG  67  -9.367   8.049  20.836
  499   2HH1  ARG  67           HH1      ARG  67  -9.729   7.768  22.505
  500   1HH2  ARG  67           HH2      ARG  67 -11.512  10.741  22.941
  501   2HH2  ARG  67           HH2      ARG  67 -10.941   9.292  23.699
  502    H    GLY  68           HN       GLY  68 -14.337  11.454  19.301
  503   1HA   GLY  68           HAR      GLY  68 -13.808  14.116  18.265
  504   2HA   GLY  68           HAS      GLY  68 -15.500  13.600  18.027
  505    H    GLY  69           HN       GLY  69 -14.905  15.757  19.617
  506   1HA   GLY  69           HAR      GLY  69 -16.534  15.173  21.816
  507   2HA   GLY  69           HAS      GLY  69 -14.863  15.238  22.439
  508    H    ALA  70           HN       ALA  70 -14.696  17.126  23.447
  509    HA   ALA  70           HA       ALA  70 -16.035  19.501  22.295
  510   1HB   ALA  70           HMB      ALA  70 -15.090  18.761  25.068
  511   2HB   ALA  70           HMB      ALA  70 -15.653  20.394  24.628
  512   3HB   ALA  70           HMB      ALA  70 -16.756  19.002  24.487
  513    H    GLU  71           HN       GLU  71 -14.863  20.860  21.187
  514    HA   GLU  71           HA       GLU  71 -12.075  20.567  20.894
  515   1HB   GLU  71           HBR      GLU  71 -13.599  23.059  20.188
  516   2HB   GLU  71           HBS      GLU  71 -12.245  22.387  19.459
  517   1HG   GLU  71           HGR      GLU  71 -14.996  21.070  19.320
  518   2HG   GLU  71           HGS      GLU  71 -14.178  22.017  18.048
  519    H    SER  72           HN       SER  72 -10.342  21.662  21.631
  520    HA   SER  72           HA       SER  72 -10.781  23.624  23.821
  521   1HB   SER  72           HBS      SER  72 -10.211  20.935  24.217
  522   2HB   SER  72           HBR      SER  72  -8.631  21.751  24.388
  523    HG   SER  72           HG       SER  72  -9.160  22.691  26.137
  524    H    HIS  73           HN       HIS  73  -8.798  24.707  24.495
  525    HA   HIS  73           HA       HIS  73  -7.144  25.603  22.303
  526   1HB   HIS  73           HBS      HIS  73  -7.276  26.154  25.237
  527   2HB   HIS  73           HBR      HIS  73  -5.680  26.338  24.453
  528    HD1  HIS  73           HD1      HIS  73  -9.276  27.662  24.102
  529    HD2  HIS  73           HD2      HIS  73  -5.370  28.618  23.019
  530    HE1  HIS  73           HE1      HIS  73  -9.386  29.882  22.945
  531    HE2  HIS  73           HE2      HIS  73  -7.028  30.456  22.268
  532    H    THR  74           HN       THR  74  -7.161  22.897  24.408
  533    HA   THR  74           HA       THR  74  -5.700  21.184  24.815
  534    HB   THR  74           HB       THR  74  -6.144  21.149  22.283
  535    HG1  THR  74           HG1      THR  74  -3.755  20.320  23.279
  536   1HG2  THR  74           HMG      THR  74  -3.657  22.734  22.271
  537   2HG2  THR  74           HMG      THR  74  -3.687  21.355  21.144
  538   3HG2  THR  74           HMG      THR  74  -4.960  22.600  21.061
  539    H    PHE  75           HN       PHE  75  -4.872  23.655  25.948
  540    HA   PHE  75           HA       PHE  75  -3.058  24.422  27.138
  541   1HB   PHE  75           HBS      PHE  75  -1.057  22.662  25.753
  542   2HB   PHE  75           HBR      PHE  75  -1.108  23.248  27.441
  543    HD1  PHE  75           HD1      PHE  75  -3.477  22.491  28.543
  544    HD2  PHE  75           HD2      PHE  75  -1.179  20.268  25.726
  545    HE1  PHE  75           HE1      PHE  75  -4.551  20.429  29.326
  546    HE2  PHE  75           HE2      PHE  75  -2.245  18.174  26.500
  547    HZ   PHE  75           HZ       PHE  75  -3.982  18.277  28.265
  548    H    LYS  76           HN       LYS  76  -1.478  23.323  24.132
  549    HA   LYS  76           HA       LYS  76  -0.947  26.184  23.470
  550   1HB   LYS  76           HBR      LYS  76   1.304  25.551  22.821
  551   2HB   LYS  76           HBS      LYS  76   1.005  25.165  24.539
  552   1HG   LYS  76           HGR      LYS  76   1.035  22.868  24.168
  553   2HG   LYS  76           HGS      LYS  76   0.641  23.037  22.434
  554   1HD   LYS  76           HDS      LYS  76   2.843  23.881  21.954
  555   2HD   LYS  76           HDR      LYS  76   3.245  23.916  23.649
  556   1HE   LYS  76           HES      LYS  76   3.808  21.768  23.716
  557   2HE   LYS  76           HER      LYS  76   2.358  21.288  22.790
  558   1HZ   LYS  76           HZC      LYS  76   4.370  22.662  21.284
  559   2HZ   LYS  76           HZA      LYS  76   4.829  21.199  21.844
  560   3HZ   LYS  76           HZB      LYS  76   3.502  21.333  20.902
   
  No H/Q in entry =         560
  Start of MODEL   32
    1    H    PRO   1           HN       PRO   1  12.879   2.976   4.831
    2    HA   PRO   1           HA       PRO   1  13.739   4.286   2.985
    3   1HB   PRO   1           HBR      PRO   1  16.422   3.826   3.442
    4   2HB   PRO   1           HBS      PRO   1  15.673   5.277   3.280
    5   1HG   PRO   1           HGR      PRO   1  16.720   4.323   5.551
    6   2HG   PRO   1           HGS      PRO   1  15.707   5.641   5.413
    7   1HD   PRO   1           HDR      PRO   1  15.101   3.053   6.333
    8   2HD   PRO   1           HDS      PRO   1  14.272   4.460   6.601
    9    H    LYS   2           HN       LYS   2  12.788   1.707   3.557
   10    HA   LYS   2           HA       LYS   2  14.317   0.172   1.537
   11   1HB   LYS   2           HBS      LYS   2  14.214  -1.858   2.866
   12   2HB   LYS   2           HBR      LYS   2  15.172  -0.599   3.695
   13   1HG   LYS   2           HGR      LYS   2  12.252  -1.098   4.342
   14   2HG   LYS   2           HGS      LYS   2  13.575  -2.003   5.133
   15   1HD   LYS   2           HDS      LYS   2  14.569   0.181   5.815
   16   2HD   LYS   2           HDR      LYS   2  13.162   0.976   5.165
   17   1HE   LYS   2           HES      LYS   2  12.306  -1.119   6.925
   18   2HE   LYS   2           HER      LYS   2  13.505  -0.070   7.734
   19   1HZ   LYS   2           HZC      LYS   2  11.533   1.343   6.233
   20   2HZ   LYS   2           HZA      LYS   2  10.908   0.488   7.476
   21   3HZ   LYS   2           HZB      LYS   2  12.073   1.600   7.752
   22    H    CYS   3           HN       CYS   3  13.027  -0.732   0.114
   23    HA   CYS   3           HA       CYS   3  10.339   0.019   0.190
   24   1HB   CYS   3           HBS      CYS   3  11.869  -0.075  -1.773
   25   2HB   CYS   3           HBR      CYS   3  11.686  -1.852  -1.766
   26    HA   PRO   4           HA       PRO   4   8.505  -3.605   1.975
   27   1HB   PRO   4           HBR      PRO   4   6.007  -2.528   1.560
   28   2HB   PRO   4           HBS      PRO   4   6.799  -2.667   2.991
   29   1HG   PRO   4           HGS      PRO   4   6.260  -0.374   1.768
   30   2HG   PRO   4           HGR      PRO   4   7.383  -0.558   2.990
   31   1HD   PRO   4           HDS      PRO   4   7.822  -0.353   0.195
   32   2HD   PRO   4           HDR      PRO   4   8.824   0.104   1.430
   33    H    LYS   5           HN       LYS   5   8.058  -2.369  -1.108
   34    HA   LYS   5           HA       LYS   5   6.276  -4.516  -2.032
   35   1HB   LYS   5           HBR      LYS   5   6.813  -1.959  -2.945
   36   2HB   LYS   5           HBS      LYS   5   7.731  -2.998  -4.072
   37   1HG   LYS   5           HGR      LYS   5   4.750  -3.058  -3.488
   38   2HG   LYS   5           HGS      LYS   5   5.560  -2.640  -5.024
   39   1HD   LYS   5           HDS      LYS   5   5.527  -5.360  -3.711
   40   2HD   LYS   5           HDR      LYS   5   4.533  -4.847  -5.047
   41   1HE   LYS   5           HER      LYS   5   6.201  -4.912  -6.564
   42   2HE   LYS   5           HES      LYS   5   7.472  -4.545  -5.362
   43   1HZ   LYS   5           HZC      LYS   5   6.727  -6.868  -4.493
   44   2HZ   LYS   5           HZA      LYS   5   6.267  -7.088  -6.044
   45   3HZ   LYS   5           HZB      LYS   5   7.822  -6.731  -5.697
   46    H    CYS   6           HN       CYS   6   9.457  -3.352  -3.202
   47    HA   CYS   6           HA       CYS   6   9.717  -5.970  -4.459
   48   1HB   CYS   6           HBS      CYS   6  11.404  -4.975  -5.853
   49   2HB   CYS   6           HBR      CYS   6   9.916  -3.995  -5.815
   50    H    ASP   7           HN       ASP   7  11.049  -4.335  -1.753
   51    HA   ASP   7           HA       ASP   7  12.678  -4.846  -0.264
   52   1HB   ASP   7           HBS      ASP   7  11.949  -7.151  -0.369
   53   2HB   ASP   7           HBR      ASP   7  13.011  -7.435  -1.778
   54    H    LYS   8           HN       LYS   8  13.364  -2.950  -1.631
   55    HA   LYS   8           HA       LYS   8  16.241  -3.533  -2.086
   56   1HB   LYS   8           HBS      LYS   8  14.425  -1.976  -3.819
   57   2HB   LYS   8           HBR      LYS   8  15.920  -1.123  -3.337
   58   1HG   LYS   8           HGR      LYS   8  16.793  -3.676  -4.072
   59   2HG   LYS   8           HGS      LYS   8  15.527  -3.280  -5.270
   60   1HD   LYS   8           HDS      LYS   8  17.937  -1.585  -4.606
   61   2HD   LYS   8           HDR      LYS   8  17.769  -2.641  -5.983
   62   1HE   LYS   8           HES      LYS   8  17.081  -0.818  -7.060
   63   2HE   LYS   8           HER      LYS   8  15.526  -1.158  -6.250
   64   1HZ   LYS   8           HZA      LYS   8  17.532   0.453  -4.889
   65   2HZ   LYS   8           HZB      LYS   8  16.605   1.145  -6.043
   66   3HZ   LYS   8           HZC      LYS   8  15.906   0.471  -4.730
   67    H    GLU   9           HN       GLU   9  17.202  -1.011  -2.049
   68    HA   GLU   9           HA       GLU   9  16.050   0.302   0.378
   69   1HB   GLU   9           HBR      GLU   9  18.669   1.187  -0.634
   70   2HB   GLU   9           HBS      GLU   9  18.037   1.119   0.914
   71   1HG   GLU   9           HGR      GLU   9  18.282  -1.639   0.251
   72   2HG   GLU   9           HGS      GLU   9  19.745  -0.809  -0.344
   73    H    VAL  10           HN       VAL  10  15.803   2.572   0.251
   74    HA   VAL  10           HA       VAL  10  15.142   3.333  -2.545
   75    HB   VAL  10           HB       VAL  10  13.592   3.645   0.031
   76   1HG1  VAL  10           HMG      VAL  10  13.485   5.500  -1.964
   77   2HG1  VAL  10           HMG      VAL  10  12.215   4.361  -2.472
   78   3HG1  VAL  10           HMG      VAL  10  12.148   5.109  -0.858
   79   1HG2  VAL  10           HMG      VAL  10  13.744   1.513  -1.703
   80   2HG2  VAL  10           HMG      VAL  10  12.444   1.836  -0.534
   81   3HG2  VAL  10           HMG      VAL  10  12.264   2.365  -2.221
   82    H    TYR  11           HN       TYR  11  16.107   5.035  -3.293
   83    HA   TYR  11           HA       TYR  11  17.711   6.739  -1.511
   84   1HB   TYR  11           HBR      TYR  11  18.539   5.889  -3.743
   85   2HB   TYR  11           HBS      TYR  11  17.340   6.964  -4.517
   86    HD1  TYR  11           HD1      TYR  11  17.670   9.406  -4.480
   87    HD2  TYR  11           HD2      TYR  11  20.512   6.802  -2.685
   88    HE1  TYR  11           HE1      TYR  11  19.320  11.227  -4.466
   89    HE2  TYR  11           HE2      TYR  11  22.178   8.603  -2.687
   90    HH   TYR  11           HH       TYR  11  22.150  10.984  -4.681
   91    H    PHE  12           HN       PHE  12  17.559   9.082  -1.709
   92    HA   PHE  12           HA       PHE  12  15.162   9.728  -0.611
   93   1HB   PHE  12           HBS      PHE  12  17.547  11.078  -0.849
   94   2HB   PHE  12           HBR      PHE  12  16.443  12.119  -1.796
   95    HD1  PHE  12           HD1      PHE  12  14.539  13.117  -0.822
   96    HD2  PHE  12           HD2      PHE  12  17.188  10.840   1.620
   97    HE1  PHE  12           HE1      PHE  12  13.570  14.167   1.172
   98    HE2  PHE  12           HE2      PHE  12  16.226  11.882   3.645
   99    HZ   PHE  12           HZ       PHE  12  14.453  13.598   3.404
  100    H    ALA  13           HN       ALA  13  16.193  11.297  -3.668
  101    HA   ALA  13           HA       ALA  13  13.666  12.049  -4.301
  102   1HB   ALA  13           HMB      ALA  13  16.075  11.632  -6.102
  103   2HB   ALA  13           HMB      ALA  13  14.644  12.591  -6.555
  104   3HB   ALA  13           HMB      ALA  13  15.665  13.106  -5.188
  105    H    GLU  14           HN       GLU  14  14.779   8.932  -4.565
  106    HA   GLU  14           HA       GLU  14  12.389   8.274  -6.226
  107   1HB   GLU  14           HBS      GLU  14  14.738   6.512  -5.714
  108   2HB   GLU  14           HBR      GLU  14  13.463   6.155  -6.744
  109   1HG   GLU  14           HGR      GLU  14  14.578   8.649  -7.709
  110   2HG   GLU  14           HGS      GLU  14  15.937   7.623  -7.174
  111    H    ARG  15           HN       ARG  15  12.533   9.055  -3.462
  112    HA   ARG  15           HA       ARG  15  11.286   6.554  -2.455
  113   1HB   ARG  15           HBR      ARG  15  11.816   6.898  -0.231
  114   2HB   ARG  15           HBS      ARG  15  13.345   7.172  -1.106
  115   1HG   ARG  15           HGR      ARG  15  13.587   9.085  -0.020
  116   2HG   ARG  15           HGS      ARG  15  12.116   9.715  -0.813
  117   1HD   ARG  15           HDR      ARG  15  10.793   8.562   0.979
  118   2HD   ARG  15           HDS      ARG  15  12.344   8.253   1.810
  119    HE   ARG  15           HE       ARG  15  11.052  10.883   1.401
  120   1HH1  ARG  15           HH1      ARG  15  13.901   9.107   2.482
  121   2HH1  ARG  15           HH1      ARG  15  14.372  10.336   3.610
  122   1HH2  ARG  15           HH2      ARG  15  11.629  12.406   2.976
  123   2HH2  ARG  15           HH2      ARG  15  13.086  12.203   3.889
  124    H    VAL  16           HN       VAL  16   9.254   6.704  -1.839
  125    HA   VAL  16           HA       VAL  16   8.273   9.326  -0.951
  126    HB   VAL  16           HB       VAL  16   6.068   9.011  -1.815
  127   1HG1  VAL  16           HMG      VAL  16   8.317   8.933  -3.787
  128   2HG1  VAL  16           HMG      VAL  16   6.638   8.872  -4.376
  129   3HG1  VAL  16           HMG      VAL  16   7.183  10.245  -3.385
  130   1HG2  VAL  16           HMG      VAL  16   6.153   6.480  -1.722
  131   2HG2  VAL  16           HMG      VAL  16   5.297   7.206  -3.104
  132   3HG2  VAL  16           HMG      VAL  16   6.935   6.545  -3.320
  133    H    THR  17           HN       THR  17   7.342   9.257   0.990
  134    HA   THR  17           HA       THR  17   7.552   6.642   2.356
  135    HB   THR  17           HB       THR  17   7.394   9.393   3.696
  136    HG1  THR  17           HG1      THR  17   9.309   9.552   3.576
  137   1HG2  THR  17           HMG      THR  17   7.651   6.723   4.686
  138   2HG2  THR  17           HMG      THR  17   9.160   7.610   5.018
  139   3HG2  THR  17           HMG      THR  17   7.602   8.258   5.589
  140    H    SER  18           HN       SER  18   5.970   5.759   3.541
  141    HA   SER  18           HA       SER  18   3.346   6.927   3.909
  142   1HB   SER  18           HBS      SER  18   3.606   6.590   1.387
  143   2HB   SER  18           HBR      SER  18   3.529   4.840   1.733
  144    HG   SER  18           HG       SER  18   1.626   6.951   1.876
  145    H    LEU  19           HN       LEU  19   2.138   5.748   5.247
  146    HA   LEU  19           HA       LEU  19   1.829   4.361   7.041
  147   1HB   LEU  19           HBR      LEU  19   2.963   2.352   5.070
  148   2HB   LEU  19           HBS      LEU  19   1.977   1.991   6.515
  149    HG   LEU  19           HG       LEU  19   0.556   1.746   4.657
  150   1HD1  LEU  19           HMD      LEU  19  -0.321   3.114   6.586
  151   2HD1  LEU  19           HMD      LEU  19   0.032   4.571   5.622
  152   3HD1  LEU  19           HMD      LEU  19  -1.148   3.375   5.029
  153   1HD2  LEU  19           HMD      LEU  19   2.267   3.288   3.318
  154   2HD2  LEU  19           HMD      LEU  19   0.593   3.031   2.768
  155   3HD2  LEU  19           HMD      LEU  19   1.022   4.519   3.649
  156    H    GLY  20           HN       GLY  20   4.565   5.639   6.481
  157   1HA   GLY  20           HAS      GLY  20   5.949   6.063   8.332
  158   2HA   GLY  20           HAR      GLY  20   5.716   4.384   8.890
  159    H    LYS  21           HN       LYS  21   6.200   3.641   5.901
  160    HA   LYS  21           HA       LYS  21   9.166   3.697   6.062
  161   1HB   LYS  21           HBR      LYS  21   7.830   1.254   4.965
  162   2HB   LYS  21           HBS      LYS  21   9.451   1.460   5.690
  163   1HG   LYS  21           HGS      LYS  21   8.517   0.345   7.429
  164   2HG   LYS  21           HGR      LYS  21   7.892   1.963   7.857
  165   1HD   LYS  21           HDR      LYS  21   6.001   0.746   7.998
  166   2HD   LYS  21           HDS      LYS  21   5.886   1.272   6.341
  167   1HE   LYS  21           HES      LYS  21   7.361  -1.231   6.600
  168   2HE   LYS  21           HER      LYS  21   5.722  -1.313   7.304
  169   1HZ   LYS  21           HZB      LYS  21   6.120  -0.162   4.655
  170   2HZ   LYS  21           HZC      LYS  21   6.053  -1.784   4.831
  171   3HZ   LYS  21           HZA      LYS  21   4.785  -0.862   5.287
  172    H    ASP  22           HN       ASP  22  10.196   3.644   4.060
  173    HA   ASP  22           HA       ASP  22   8.659   5.227   2.227
  174   1HB   ASP  22           HBS      ASP  22  11.534   4.457   1.853
  175   2HB   ASP  22           HBR      ASP  22  10.670   5.926   1.308
  176    H    TRP  23           HN       TRP  23   8.973   5.009  -0.159
  177    HA   TRP  23           HA       TRP  23   9.188   2.198  -1.098
  178   1HB   TRP  23           HBR      TRP  23   7.016   4.169  -1.821
  179   2HB   TRP  23           HBS      TRP  23   7.112   2.430  -2.244
  180    HD1  TRP  23           HD1      TRP  23   6.441   4.772   0.754
  181    HE1  TRP  23           HE1      TRP  23   4.730   3.619   2.285
  182    HE3  TRP  23           HE3      TRP  23   6.296   0.248  -1.565
  183    HZ2  TRP  23           HZ2      TRP  23   3.492   1.107   2.456
  184    HZ3  TRP  23           HZ3      TRP  23   4.909  -1.526  -0.590
  185    HH2  TRP  23           HH2      TRP  23   3.419  -1.068   1.288
  186    H    HIS  24           HN       ZHI  24   9.525   1.967  -3.363
  187    HA   HIS  24           HA       ZHI  24  10.923   4.130  -4.668
  188   1HB   HIS  24           HBS      ZHI  24   9.984   1.466  -5.826
  189   2HB   HIS  24           HBR      ZHI  24  11.079   2.636  -6.622
  190    HD2  HIS  24           HD2      ZHI  24  13.212   3.245  -4.387
  191    HE1  HIS  24           HE1      ZHI  24  13.223  -0.759  -3.185
  192    HE2  HIS  24           HE2      ZHI  24  14.609   1.338  -3.336
  193    H    ARG  25           HN       ARG  25  10.276   5.499  -6.190
  194    HA   ARG  25           HA       ARG  25   7.669   6.323  -6.121
  195   1HB   ARG  25           HBS      ARG  25   8.399   7.369  -8.544
  196   2HB   ARG  25           HBR      ARG  25   8.766   8.079  -6.949
  197   1HG   ARG  25           HGR      ARG  25  10.963   7.806  -7.219
  198   2HG   ARG  25           HGS      ARG  25  10.779   6.126  -7.799
  199   1HD   ARG  25           HDS      ARG  25  11.589   7.071  -9.679
  200   2HD   ARG  25           HDR      ARG  25   9.848   7.371  -9.938
  201    HE   ARG  25           HE       ARG  25  11.586   9.443  -8.705
  202   1HH1  ARG  25           HH1      ARG  25   9.618   8.363 -11.423
  203   2HH1  ARG  25           HH1      ARG  25   9.325   9.972 -11.993
  204   1HH2  ARG  25           HH2      ARG  25  11.088  11.538  -9.414
  205   2HH2  ARG  25           HH2      ARG  25  10.164  11.769 -10.861
  206    HA   PRO  26           HA       PRO  26   6.944   3.780 -10.260
  207   1HB   PRO  26           HBR      PRO  26   8.755   1.677  -9.935
  208   2HB   PRO  26           HBS      PRO  26   8.469   2.568 -11.284
  209   1HG   PRO  26           HGR      PRO  26  10.664   2.733  -9.766
  210   2HG   PRO  26           HGS      PRO  26  10.203   3.819 -10.945
  211   1HD   PRO  26           HDS      PRO  26  10.146   4.154  -8.180
  212   2HD   PRO  26           HDR      PRO  26   9.930   5.299  -9.353
  213    H    CYS  27           HN       CYS  27   8.070   2.233  -7.374
  214    HA   CYS  27           HA       CYS  27   6.467  -0.046  -7.667
  215   1HB   CYS  27           HBS      CYS  27   8.031   1.181  -5.447
  216   2HB   CYS  27           HBR      CYS  27   6.859  -0.107  -5.045
  217    H    LEU  28           HN       LEU  28   5.907   2.922  -5.775
  218    HA   LEU  28           HA       LEU  28   3.695   1.986  -4.339
  219   1HB   LEU  28           HBS      LEU  28   5.240   4.008  -4.027
  220   2HB   LEU  28           HBR      LEU  28   4.138   4.863  -5.146
  221    HG   LEU  28           HG       LEU  28   2.361   3.922  -3.336
  222   1HD1  LEU  28           HMD      LEU  28   4.860   3.487  -2.108
  223   2HD1  LEU  28           HMD      LEU  28   4.192   4.956  -1.353
  224   3HD1  LEU  28           HMD      LEU  28   3.249   3.444  -1.348
  225   1HD2  LEU  28           HMD      LEU  28   3.458   6.338  -4.207
  226   2HD2  LEU  28           HMD      LEU  28   2.004   6.125  -3.200
  227   3HD2  LEU  28           HMD      LEU  28   3.586   6.404  -2.431
  228    H    LYS  29           HN       LYS  29   2.247   0.893  -5.595
  229    HA   LYS  29           HA       LYS  29   0.575   2.518  -7.442
  230   1HB   LYS  29           HBS      LYS  29   2.019  -0.076  -8.029
  231   2HB   LYS  29           HBR      LYS  29   0.576   0.457  -8.939
  232   1HG   LYS  29           HGS      LYS  29   1.699   2.343  -9.829
  233   2HG   LYS  29           HGR      LYS  29   3.037   2.204  -8.653
  234   1HD   LYS  29           HDS      LYS  29   3.770   1.499 -10.833
  235   2HD   LYS  29           HDR      LYS  29   3.766   0.159  -9.719
  236   1HE   LYS  29           HES      LYS  29   1.363   0.587 -11.436
  237   2HE   LYS  29           HER      LYS  29   2.846  -0.129 -12.128
  238   1HZ   LYS  29           HZB      LYS  29   2.525  -1.484  -9.852
  239   2HZ   LYS  29           HZC      LYS  29   0.969  -1.257 -10.299
  240   3HZ   LYS  29           HZA      LYS  29   2.013  -1.996 -11.316
  241    H    CYS  30           HN       CYS  30  -1.527   2.051  -7.405
  242    HA   CYS  30           HA       CYS  30  -2.741   0.344  -5.495
  243   1HB   CYS  30           HBS      CYS  30  -3.779   2.281  -6.754
  244   2HB   CYS  30           HBR      CYS  30  -3.987   1.142  -8.116
  245    H    GLU  31           HN       GLU  31  -2.819  -1.753  -5.375
  246    HA   GLU  31           HA       GLU  31  -2.603  -3.424  -7.789
  247   1HB   GLU  31           HBR      GLU  31  -2.555  -3.780  -4.816
  248   2HB   GLU  31           HBS      GLU  31  -3.033  -5.075  -5.769
  249   1HG   GLU  31           HGR      GLU  31  -0.353  -3.694  -6.238
  250   2HG   GLU  31           HGS      GLU  31  -0.621  -5.154  -5.247
  251    H    LYS  32           HN       LYS  32  -4.946  -1.705  -7.444
  252    HA   LYS  32           HA       LYS  32  -7.025  -3.842  -7.565
  253   1HB   LYS  32           HBR      LYS  32  -6.723  -1.938  -5.575
  254   2HB   LYS  32           HBS      LYS  32  -7.927  -1.204  -6.673
  255   1HG   LYS  32           HGS      LYS  32  -8.242  -4.064  -5.764
  256   2HG   LYS  32           HGR      LYS  32  -8.731  -2.717  -4.696
  257   1HD   LYS  32           HDR      LYS  32 -10.661  -2.730  -5.739
  258   2HD   LYS  32           HDS      LYS  32  -9.856  -2.049  -7.126
  259   1HE   LYS  32           HES      LYS  32  -9.376  -4.806  -7.293
  260   2HE   LYS  32           HER      LYS  32 -11.068  -4.638  -6.746
  261   1HZ   LYS  32           HZC      LYS  32 -10.475  -2.821  -8.806
  262   2HZ   LYS  32           HZA      LYS  32 -10.134  -4.345  -9.288
  263   3HZ   LYS  32           HZB      LYS  32 -11.631  -3.973  -8.748
  264    H    CYS  33           HN       CYS  33  -6.079  -0.526  -8.487
  265    HA   CYS  33           HA       CYS  33  -7.728  -0.908 -10.936
  266   1HB   CYS  33           HBS      CYS  33  -8.037   1.462 -11.128
  267   2HB   CYS  33           HBR      CYS  33  -8.685   0.836  -9.588
  268    H    GLY  34           HN       GLY  34  -4.634  -0.552  -9.592
  269   1HA   GLY  34           HAR      GLY  34  -2.539  -0.512 -10.543
  270   2HA   GLY  34           HAS      GLY  34  -3.336  -0.791 -12.114
  271    H    LYS  35           HN       LYS  35  -3.754   1.922  -9.837
  272    HA   LYS  35           HA       LYS  35  -2.682   3.789 -11.901
  273   1HB   LYS  35           HBR      LYS  35  -4.775   4.024  -9.830
  274   2HB   LYS  35           HBS      LYS  35  -3.614   5.381  -9.886
  275   1HG   LYS  35           HGR      LYS  35  -5.405   4.372 -12.124
  276   2HG   LYS  35           HGS      LYS  35  -5.482   5.948 -11.285
  277   1HD   LYS  35           HDS      LYS  35  -4.318   6.744 -12.979
  278   2HD   LYS  35           HDR      LYS  35  -2.956   6.014 -12.177
  279   1HE   LYS  35           HES      LYS  35  -3.931   3.905 -13.638
  280   2HE   LYS  35           HER      LYS  35  -4.220   5.316 -14.696
  281   1HZ   LYS  35           HZB      LYS  35  -1.674   5.442 -13.524
  282   2HZ   LYS  35           HZC      LYS  35  -1.853   4.016 -14.299
  283   3HZ   LYS  35           HZA      LYS  35  -2.078   5.418 -15.105
  284    H    THR  36           HN       THR  36  -0.801   4.730 -11.563
  285    HA   THR  36           HA       THR  36   0.886   4.286  -9.302
  286    HB   THR  36           HB       THR  36   0.961   6.567 -11.358
  287    HG1  THR  36           HG1      THR  36   2.321   5.405 -12.295
  288   1HG2  THR  36           HMG      THR  36   3.004   5.592  -9.362
  289   2HG2  THR  36           HMG      THR  36   3.452   6.496 -10.832
  290   3HG2  THR  36           HMG      THR  36   2.389   7.245  -9.614
  291    H    LEU  37           HN       LEU  37   1.199   5.386  -7.470
  292    HA   LEU  37           HA       LEU  37  -1.176   6.912  -6.652
  293   1HB   LEU  37           HBS      LEU  37   0.997   5.403  -5.173
  294   2HB   LEU  37           HBR      LEU  37  -0.355   6.259  -4.379
  295    HG   LEU  37           HG       LEU  37  -0.666   3.948  -6.311
  296   1HD1  LEU  37           HMD      LEU  37  -0.318   4.109  -3.348
  297   2HD1  LEU  37           HMD      LEU  37  -1.527   2.966  -3.986
  298   3HD1  LEU  37           HMD      LEU  37   0.177   2.839  -4.496
  299   1HD2  LEU  37           HMD      LEU  37  -2.503   5.674  -4.660
  300   2HD2  LEU  37           HMD      LEU  37  -2.626   5.207  -6.376
  301   3HD2  LEU  37           HMD      LEU  37  -2.965   4.009  -5.100
  302    H    THR  38           HN       THR  38  -1.189   8.922  -5.905
  303    HA   THR  38           HA       THR  38   1.303  10.442  -6.438
  304    HB   THR  38           HB       THR  38  -0.801  10.831  -7.864
  305    HG1  THR  38           HG1      THR  38   0.446  12.116  -8.094
  306   1HG2  THR  38           HMG      THR  38  -2.000  11.330  -5.301
  307   2HG2  THR  38           HMG      THR  38  -2.036  12.818  -6.282
  308   3HG2  THR  38           HMG      THR  38  -2.748  11.314  -6.918
  309    H    SER  39           HN       SER  39   0.673  12.844  -5.364
  310    HA   SER  39           HA       SER  39   1.963  12.481  -2.959
  311   1HB   SER  39           HBS      SER  39   2.233  14.529  -4.072
  312   2HB   SER  39           HBR      SER  39   0.481  14.882  -4.046
  313    HG   SER  39           HG       SER  39   1.378  16.160  -2.538
  314    H    GLY  40           HN       GLY  40   0.897  11.012  -1.662
  315   1HA   GLY  40           HAR      GLY  40  -0.161  10.558   0.327
  316   2HA   GLY  40           HAS      GLY  40  -0.294  12.330   0.495
  317    H    GLY  41           HN       GLY  41  -1.757   9.960  -1.766
  318   1HA   GLY  41           HAR      GLY  41  -4.337  10.262  -0.330
  319   2HA   GLY  41           HAS      GLY  41  -4.329  10.481  -2.101
  320    H    HIS  42           HN       HIS  42  -1.923   8.301  -1.089
  321    HA   HIS  42           HA       HIS  42  -3.651   6.023  -1.762
  322   1HB   HIS  42           HBS      HIS  42  -1.679   4.869  -2.446
  323   2HB   HIS  42           HBR      HIS  42  -1.596   6.529  -3.103
  324    HD1  HIS  42           HD1      HIS  42   0.372   4.107  -1.119
  325    HD2  HIS  42           HD2      HIS  42   0.211   8.238  -1.627
  326    HE1  HIS  42           HE1      HIS  42   2.455   5.029  -0.074
  327    HE2  HIS  42           HE2      HIS  42   2.400   7.522  -0.447
  328    H    ALA  43           HN       ALA  43  -2.197   3.918  -0.881
  329    HA   ALA  43           HA       ALA  43  -2.012   4.016   2.067
  330   1HB   ALA  43           HMB      ALA  43  -4.456   3.955   1.263
  331   2HB   ALA  43           HMB      ALA  43  -4.087   2.296   0.728
  332   3HB   ALA  43           HMB      ALA  43  -3.920   2.735   2.445
  333    H    GLU  44           HN       GLU  44  -2.322   1.380   2.584
  334    HA   GLU  44           HA       GLU  44  -1.584  -0.409   0.491
  335   1HB   GLU  44           HBS      GLU  44   0.524  -1.072   1.174
  336   2HB   GLU  44           HBR      GLU  44   0.607   0.563   0.809
  337   1HG   GLU  44           HGS      GLU  44   1.404   1.031   2.888
  338   2HG   GLU  44           HGR      GLU  44   0.051   0.194   3.696
  339    H    HIS  45           HN       HIS  45  -1.862  -2.536   1.087
  340    HA   HIS  45           HA       HIS  45  -2.511  -3.123   3.928
  341   1HB   HIS  45           HBS      HIS  45  -3.197  -5.366   3.215
  342   2HB   HIS  45           HBR      HIS  45  -4.147  -4.121   2.354
  343    HD1  HIS  45           HD1      HIS  45  -0.813  -5.929   1.579
  344    HD2  HIS  45           HD2      HIS  45  -4.523  -5.069  -0.109
  345    HE1  HIS  45           HE1      HIS  45  -0.810  -6.965  -0.703
  346    HE2  HIS  45           HE2      HIS  45  -3.062  -6.473  -1.718
  347    H    GLU  46           HN       GLU  46  -1.455  -5.147   4.719
  348    HA   GLU  46           HA       GLU  46   1.260  -4.543   4.894
  349   1HB   GLU  46           HBS      GLU  46  -0.629  -6.130   6.060
  350   2HB   GLU  46           HBR      GLU  46   0.419  -7.313   5.497
  351   1HG   GLU  46           HGR      GLU  46   0.915  -6.526   7.909
  352   2HG   GLU  46           HGS      GLU  46   2.276  -6.352   6.769
  353    H    GLY  47           HN       GLY  47   2.129  -4.436   2.812
  354   1HA   GLY  47           HAR      GLY  47   3.656  -6.293   1.588
  355   2HA   GLY  47           HAS      GLY  47   2.024  -6.810   1.085
  356    H    LYS  48           HN       LYS  48   0.634  -4.635   0.572
  357    HA   LYS  48           HA       LYS  48   2.145  -3.362  -1.659
  358   1HB   LYS  48           HBS      LYS  48  -0.302  -5.130  -1.774
  359   2HB   LYS  48           HBR      LYS  48   0.020  -3.893  -3.021
  360   1HG   LYS  48           HGS      LYS  48   1.185  -5.486  -4.087
  361   2HG   LYS  48           HGR      LYS  48   2.439  -5.245  -2.836
  362   1HD   LYS  48           HDS      LYS  48   2.190  -7.454  -2.542
  363   2HD   LYS  48           HDR      LYS  48   0.860  -6.946  -1.537
  364   1HE   LYS  48           HES      LYS  48   0.683  -7.884  -4.396
  365   2HE   LYS  48           HER      LYS  48   0.128  -8.729  -2.924
  366   1HZ   LYS  48           HZA      LYS  48  -1.119  -6.363  -2.798
  367   2HZ   LYS  48           HZB      LYS  48  -1.141  -6.656  -4.403
  368   3HZ   LYS  48           HZC      LYS  48  -1.782  -7.744  -3.367
  369    HA   PRO  49           HA       PRO  49  -0.372   0.120  -0.730
  370   1HB   PRO  49           HBR      PRO  49   0.244   1.545  -2.899
  371   2HB   PRO  49           HBS      PRO  49   1.120   1.543  -1.509
  372   1HG   PRO  49           HGS      PRO  49   1.749   0.354  -3.951
  373   2HG   PRO  49           HGR      PRO  49   2.773   0.744  -2.693
  374   1HD   PRO  49           HDS      PRO  49   1.878  -1.736  -3.302
  375   2HD   PRO  49           HDR      PRO  49   2.698  -1.307  -1.932
  376    H    TYR  50           HN       TYR  50  -2.209   1.297  -1.289
  377    HA   TYR  50           HA       TYR  50  -3.438   0.632  -3.865
  378   1HB   TYR  50           HBR      TYR  50  -4.770   0.048  -1.204
  379   2HB   TYR  50           HBS      TYR  50  -5.689   0.327  -2.711
  380    HD1  TYR  50           HD1      TYR  50  -2.905  -1.833  -1.383
  381    HD2  TYR  50           HD2      TYR  50  -6.352  -1.547  -3.857
  382    HE1  TYR  50           HE1      TYR  50  -2.757  -4.240  -1.858
  383    HE2  TYR  50           HE2      TYR  50  -6.262  -3.964  -4.277
  384    HH   TYR  50           HH       TYR  50  -3.489  -5.769  -3.629
  385    H    CYS  51           HN       CYS  51  -5.286   2.089  -4.299
  386    HA   CYS  51           HA       CYS  51  -5.303   4.706  -3.488
  387   1HB   CYS  51           HBS      CYS  51  -7.712   2.959  -4.043
  388   2HB   CYS  51           HBR      CYS  51  -7.759   4.736  -3.877
  389    H    ASN  52           HN       ASN  52  -5.830   5.903  -1.811
  390    HA   ASN  52           HA       ASN  52  -6.647   4.887   0.711
  391   1HB   ASN  52           HBR      ASN  52  -5.528   7.051   0.392
  392   2HB   ASN  52           HBS      ASN  52  -7.025   7.690  -0.348
  393   1HD2  ASN  52           HD2      ASN  52  -6.523   7.835   3.612
  394   2HD2  ASN  52           HD2      ASN  52  -5.264   7.618   2.442
  395    H    HIS  53           HN       HIS  53  -8.442   6.039  -2.099
  396    HA   HIS  53           HA       HIS  53 -10.472   4.082  -1.500
  397   1HB   HIS  53           HBS      HIS  53 -11.210   7.028  -1.331
  398   2HB   HIS  53           HBR      HIS  53 -12.381   5.780  -1.845
  399    HD1  HIS  53           HD1      HIS  53 -13.423   4.315   0.019
  400    HD2  HIS  53           HD2      HIS  53 -10.430   6.882   1.361
  401    HE1  HIS  53           HE1      HIS  53 -13.611   4.373   2.516
  402    HE2  HIS  53           HE2      HIS  53 -11.819   5.945   3.333
  403    HA   PRO  54           HA       PRO  54 -12.530   4.009  -2.152
  404   1HB   PRO  54           HBS      PRO  54 -13.820   2.365  -3.827
  405   2HB   PRO  54           HBR      PRO  54 -14.365   3.845  -3.369
  406   1HG   PRO  54           HGS      PRO  54 -13.426   3.054  -5.837
  407   2HG   PRO  54           HGR      PRO  54 -14.127   4.513  -5.437
  408   1HD   PRO  54           HDS      PRO  54 -11.450   3.992  -5.852
  409   2HD   PRO  54           HDR      PRO  54 -12.156   5.453  -5.536
  410    H    CYS  55           HN       CYS  55 -10.161   2.674  -3.983
  411    HA   CYS  55           HA       CYS  55 -10.812   0.014  -3.988
  412   1HB   CYS  55           HBS      CYS  55  -8.019   1.187  -3.982
  413   2HB   CYS  55           HBR      CYS  55  -8.475  -0.456  -4.513
  414    H    TYR  56           HN       TYR  56  -8.825   1.715  -1.570
  415    HA   TYR  56           HA       TYR  56  -8.201  -0.508   0.048
  416   1HB   TYR  56           HBR      TYR  56  -7.100   1.640   0.329
  417   2HB   TYR  56           HBS      TYR  56  -8.639   2.400   0.828
  418    HD1  TYR  56           HD1      TYR  56  -7.427  -0.948   1.937
  419    HD2  TYR  56           HD2      TYR  56  -7.956   3.139   2.987
  420    HE1  TYR  56           HE1      TYR  56  -6.818  -1.473   4.260
  421    HE2  TYR  56           HE2      TYR  56  -7.333   2.633   5.306
  422    HH   TYR  56           HH       TYR  56  -6.010  -0.572   6.153
  423    H    SER  57           HN       SER  57 -11.043   1.618  -0.035
  424    HA   SER  57           HA       SER  57 -12.366   0.289   2.164
  425   1HB   SER  57           HBS      SER  57 -12.980   2.526   1.794
  426   2HB   SER  57           HBR      SER  57 -13.303   2.246   0.058
  427    HG   SER  57           HG       SER  57 -14.912   2.133   2.236
  428    H    ALA  58           HN       ALA  58 -11.863  -0.395  -1.152
  429    HA   ALA  58           HA       ALA  58 -14.383  -1.646  -1.687
  430   1HB   ALA  58           HMB      ALA  58 -12.617  -0.572  -3.275
  431   2HB   ALA  58           HMB      ALA  58 -11.886  -2.198  -3.259
  432   3HB   ALA  58           HMB      ALA  58 -13.565  -1.981  -3.816
  433    H    MET  59           HN       MET  59 -11.112  -2.885  -0.977
  434    HA   MET  59           HA       MET  59 -12.230  -5.647  -0.949
  435   1HB   MET  59           HBR      MET  59  -9.817  -4.544  -2.166
  436   2HB   MET  59           HBS      MET  59  -9.461  -5.892  -1.055
  437   1HG   MET  59           HGR      MET  59 -11.689  -6.070  -3.109
  438   2HG   MET  59           HGS      MET  59 -10.011  -6.445  -3.560
  439   1HE   MET  59           HME      MET  59  -8.589  -7.618  -1.469
  440   2HE   MET  59           HME      MET  59  -9.047  -9.296  -1.085
  441   3HE   MET  59           HME      MET  59  -8.769  -8.815  -2.777
  442    H    PHE  60           HN       PHE  60 -10.528  -3.116   0.722
  443    HA   PHE  60           HA       PHE  60 -10.738  -4.766   3.189
  444   1HB   PHE  60           HBR      PHE  60  -8.836  -2.410   2.849
  445   2HB   PHE  60           HBS      PHE  60  -9.001  -3.492   4.264
  446    HD1  PHE  60           HD1      PHE  60  -8.219  -3.456   0.666
  447    HD2  PHE  60           HD2      PHE  60  -7.556  -5.422   4.387
  448    HE1  PHE  60           HE1      PHE  60  -6.606  -4.943  -0.431
  449    HE2  PHE  60           HE2      PHE  60  -5.925  -6.934   3.305
  450    HZ   PHE  60           HZ       PHE  60  -5.504  -6.724   0.872
  451    H    GLY  61           HN       GLY  61 -10.431  -2.666   4.982
  452   1HA   GLY  61           HAS      GLY  61 -12.721  -0.874   4.457
  453   2HA   GLY  61           HAR      GLY  61 -12.860  -1.990   5.843
  454    HA   PRO  62           HA       PRO  62  -9.257   1.327   6.057
  455   1HB   PRO  62           HBR      PRO  62 -10.519   3.747   5.813
  456   2HB   PRO  62           HBS      PRO  62  -9.388   3.120   4.801
  457   1HG   PRO  62           HGS      PRO  62 -12.126   3.294   4.411
  458   2HG   PRO  62           HGR      PRO  62 -10.940   2.970   3.283
  459   1HD   PRO  62           HDS      PRO  62 -12.661   1.162   4.222
  460   2HD   PRO  62           HDR      PRO  62 -11.231   0.797   3.476
  461    H    LYS  63           HN       LYS  63 -12.325   2.550   7.162
  462    HA   LYS  63           HA       LYS  63 -13.056   3.199   9.224
  463   1HB   LYS  63           HBR      LYS  63 -12.708   1.637  10.978
  464   2HB   LYS  63           HBS      LYS  63 -12.859   0.741   9.441
  465   1HG   LYS  63           HGR      LYS  63 -10.680  -0.004   9.497
  466   2HG   LYS  63           HGS      LYS  63 -10.102   1.405  10.432
  467   1HD   LYS  63           HDS      LYS  63 -11.194   0.547  12.434
  468   2HD   LYS  63           HDR      LYS  63 -11.820  -0.806  11.532
  469   1HE   LYS  63           HES      LYS  63  -9.983  -1.691  12.633
  470   2HE   LYS  63           HER      LYS  63  -9.411  -1.384  10.969
  471   1HZ   LYS  63           HZA      LYS  63  -9.051   0.800  12.774
  472   2HZ   LYS  63           HZB      LYS  63  -8.191  -0.530  13.174
  473   3HZ   LYS  63           HZC      LYS  63  -8.008   0.148  11.700
  474    H    GLY  64           HN       GLY  64 -10.381   4.315   8.234
  475   1HA   GLY  64           HAR      GLY  64  -9.086   4.930  10.836
  476   2HA   GLY  64           HAS      GLY  64  -8.331   5.030   9.223
  477    H    PHE  65           HN       PHE  65  -7.959   7.023   8.590
  478    HA   PHE  65           HA       PHE  65  -8.993   9.219  10.106
  479   1HB   PHE  65           HBR      PHE  65  -7.158   9.117   7.681
  480   2HB   PHE  65           HBS      PHE  65  -7.680  10.645   8.450
  481    HD1  PHE  65           HD2      PHE  65  -6.647   7.363  10.041
  482    HD2  PHE  65           HD1      PHE  65  -5.923  11.526   9.490
  483    HE1  PHE  65           HE2      PHE  65  -4.787   7.250  11.666
  484    HE2  PHE  65           HE1      PHE  65  -4.071  11.439  11.095
  485    HZ   PHE  65           HZ       PHE  65  -3.461   9.289  12.140
  486    H    GLY  66           HN       GLY  66  -9.441  11.316   8.665
  487   1HA   GLY  66           HAR      GLY  66 -10.436  11.625   6.272
  488   2HA   GLY  66           HAS      GLY  66 -11.806  10.718   6.964
  489    H    ARG  67           HN       ARG  67 -12.886  12.783   6.319
  490    HA   ARG  67           HA       ARG  67 -14.166  14.535   7.038
  491   1HB   ARG  67           HBR      ARG  67 -14.013  12.866   9.134
  492   2HB   ARG  67           HBS      ARG  67 -13.218  14.298   9.851
  493   1HG   ARG  67           HGS      ARG  67 -15.367  15.508   8.818
  494   2HG   ARG  67           HGR      ARG  67 -16.060  13.876   9.034
  495   1HD   ARG  67           HDS      ARG  67 -14.487  14.879  11.304
  496   2HD   ARG  67           HDR      ARG  67 -15.972  15.804  10.939
  497    HE   ARG  67           HE       ARG  67 -16.255  12.886  11.094
  498   1HH1  ARG  67           HH1      ARG  67 -16.834  16.059  12.520
  499   2HH1  ARG  67           HH1      ARG  67 -17.833  15.428  13.785
  500   1HH2  ARG  67           HH2      ARG  67 -17.462  12.085  12.838
  501   2HH2  ARG  67           HH2      ARG  67 -18.190  13.179  13.965
  502    H    GLY  68           HN       GLY  68 -13.641  16.501   6.485
  503   1HA   GLY  68           HAS      GLY  68 -12.942  18.675   6.792
  504   2HA   GLY  68           HAR      GLY  68 -12.210  18.165   8.336
  505    H    GLY  69           HN       GLY  69 -11.090  20.007   6.465
  506   1HA   GLY  69           HAR      GLY  69  -8.601  20.068   6.681
  507   2HA   GLY  69           HAS      GLY  69  -8.579  18.543   5.757
  508    H    ALA  70           HN       ALA  70  -7.108  20.571   4.809
  509    HA   ALA  70           HA       ALA  70  -6.612  21.602   2.827
  510   1HB   ALA  70           HMB      ALA  70  -8.190  19.335   2.295
  511   2HB   ALA  70           HMB      ALA  70  -8.807  20.630   1.237
  512   3HB   ALA  70           HMB      ALA  70  -7.080  20.188   1.193
  513    H    GLU  71           HN       GLU  71  -6.858  23.704   2.783
  514    HA   GLU  71           HA       GLU  71  -7.703  25.751   2.186
  515   1HB   GLU  71           HBR      GLU  71  -9.473  23.824   0.686
  516   2HB   GLU  71           HBS      GLU  71  -9.750  25.480   0.652
  517   1HG   GLU  71           HGR      GLU  71  -8.347  25.571  -1.169
  518   2HG   GLU  71           HGS      GLU  71  -7.128  25.593   0.134
  519    H    SER  72           HN       SER  72  -8.481  26.850   3.825
  520    HA   SER  72           HA       SER  72 -11.302  26.379   4.647
  521   1HB   SER  72           HBR      SER  72 -10.901  27.459   6.670
  522   2HB   SER  72           HBS      SER  72  -9.460  26.432   6.418
  523    HG   SER  72           HG       SER  72  -8.537  28.366   5.277
  524    H    HIS  73           HN       HIS  73 -11.803  28.922   5.626
  525    HA   HIS  73           HA       HIS  73 -12.192  30.507   3.202
  526   1HB   HIS  73           HBS      HIS  73 -13.157  30.648   6.000
  527   2HB   HIS  73           HBR      HIS  73 -12.761  32.231   5.270
  528    HD1  HIS  73           HD1      HIS  73 -15.379  32.809   5.197
  529    HD2  HIS  73           HD2      HIS  73 -14.196  29.545   2.893
  530    HE1  HIS  73           HE1      HIS  73 -17.225  32.398   3.552
  531    HE2  HIS  73           HE2      HIS  73 -16.506  30.439   2.142
  532    H    THR  74           HN       THR  74 -11.710  32.995   3.694
  533    HA   THR  74           HA       THR  74  -8.861  33.255   4.472
  534    HB   THR  74           HB       THR  74  -8.209  34.164   2.326
  535    HG1  THR  74           HG1      THR  74 -10.796  33.606   1.706
  536   1HG2  THR  74           HMG      THR  74  -9.032  31.476   2.567
  537   2HG2  THR  74           HMG      THR  74  -9.525  32.020   0.943
  538   3HG2  THR  74           HMG      THR  74  -7.825  32.172   1.456
  539    H    PHE  75           HN       PHE  75 -11.598  34.244   5.352
  540    HA   PHE  75           HA       PHE  75 -11.474  37.085   4.790
  541   1HB   PHE  75           HBR      PHE  75 -13.433  35.254   5.978
  542   2HB   PHE  75           HBS      PHE  75 -13.266  36.769   6.913
  543    HD1  PHE  75           HD1      PHE  75 -14.159  35.240   3.754
  544    HD2  PHE  75           HD2      PHE  75 -13.998  38.922   5.893
  545    HE1  PHE  75           HE1      PHE  75 -15.500  36.298   1.992
  546    HE2  PHE  75           HE2      PHE  75 -15.353  40.011   4.132
  547    HZ   PHE  75           HZ       PHE  75 -16.047  38.699   2.148
  548    H    LYS  76           HN       LYS  76 -11.522  35.266   7.881
  549    HA   LYS  76           HA       LYS  76  -9.057  36.160   8.801
  550   1HB   LYS  76           HBS      LYS  76 -10.041  38.419   8.851
  551   2HB   LYS  76           HBR      LYS  76 -11.315  37.829   9.956
  552   1HG   LYS  76           HGR      LYS  76  -9.496  39.048  11.133
  553   2HG   LYS  76           HGS      LYS  76  -9.661  37.353  11.676
  554   1HD   LYS  76           HDS      LYS  76  -7.718  36.669  10.659
  555   2HD   LYS  76           HDR      LYS  76  -7.738  37.971   9.501
  556   1HE   LYS  76           HES      LYS  76  -7.437  39.467  11.669
  557   2HE   LYS  76           HER      LYS  76  -6.741  37.941  12.285
  558   1HZ   LYS  76           HZA      LYS  76  -5.916  39.160   9.747
  559   2HZ   LYS  76           HZB      LYS  76  -5.170  39.479  11.166
  560   3HZ   LYS  76           HZC      LYS  76  -5.174  37.959  10.569
   
  No H/Q in entry =         560
  Start of MODEL   33
    1    H    PRO   1           HN       PRO   1  12.552   2.473   4.884
    2    HA   PRO   1           HA       PRO   1  14.111   3.747   3.679
    3   1HB   PRO   1           HBR      PRO   1  16.511   2.851   4.569
    4   2HB   PRO   1           HBS      PRO   1  15.888   4.349   4.821
    5   1HG   PRO   1           HGS      PRO   1  16.077   2.232   6.620
    6   2HG   PRO   1           HGR      PRO   1  15.854   3.853   6.946
    7   1HD   PRO   1           HDS      PRO   1  13.950   1.999   7.151
    8   2HD   PRO   1           HDR      PRO   1  13.669   3.624   7.029
    9    H    LYS   2           HN       LYS   2  13.106   0.850   3.928
   10    HA   LYS   2           HA       LYS   2  14.347   0.164   1.326
   11   1HB   LYS   2           HBS      LYS   2  13.667  -1.979   3.346
   12   2HB   LYS   2           HBR      LYS   2  14.568  -2.121   1.810
   13   1HG   LYS   2           HGS      LYS   2  16.361  -0.659   2.870
   14   2HG   LYS   2           HGR      LYS   2  15.499  -0.876   4.420
   15   1HD   LYS   2           HDR      LYS   2  16.007  -3.111   4.525
   16   2HD   LYS   2           HDS      LYS   2  16.215  -3.289   2.806
   17   1HE   LYS   2           HES      LYS   2  18.359  -3.487   3.811
   18   2HE   LYS   2           HER      LYS   2  18.295  -1.895   3.004
   19   1HZ   LYS   2           HZA      LYS   2  17.455  -1.921   5.745
   20   2HZ   LYS   2           HZB      LYS   2  19.038  -2.256   5.515
   21   3HZ   LYS   2           HZC      LYS   2  18.407  -0.858   4.950
   22    H    CYS   3           HN       CYS   3  12.984  -0.990  -0.059
   23    HA   CYS   3           HA       CYS   3  10.354  -0.028   0.175
   24   1HB   CYS   3           HBS      CYS   3  11.801  -0.121  -1.858
   25   2HB   CYS   3           HBR      CYS   3  11.487  -1.877  -1.929
   26    HA   PRO   4           HA       PRO   4   8.268  -3.662   1.704
   27   1HB   PRO   4           HBR      PRO   4   5.856  -2.424   1.440
   28   2HB   PRO   4           HBS      PRO   4   6.692  -2.632   2.838
   29   1HG   PRO   4           HGS      PRO   4   6.217  -0.289   1.628
   30   2HG   PRO   4           HGR      PRO   4   7.266  -0.532   2.901
   31   1HD   PRO   4           HDS      PRO   4   7.863  -0.252   0.150
   32   2HD   PRO   4           HDR      PRO   4   8.828   0.080   1.453
   33    H    LYS   5           HN       LYS   5   7.887  -2.039  -1.221
   34    HA   LYS   5           HA       LYS   5   5.841  -3.808  -2.323
   35   1HB   LYS   5           HBR      LYS   5   6.953  -1.298  -3.012
   36   2HB   LYS   5           HBS      LYS   5   7.376  -2.427  -4.330
   37   1HG   LYS   5           HGR      LYS   5   4.605  -2.775  -3.535
   38   2HG   LYS   5           HGS      LYS   5   4.936  -1.067  -3.943
   39   1HD   LYS   5           HDR      LYS   5   5.111  -1.463  -6.085
   40   2HD   LYS   5           HDS      LYS   5   6.159  -2.836  -5.867
   41   1HE   LYS   5           HER      LYS   5   3.880  -3.149  -7.008
   42   2HE   LYS   5           HES      LYS   5   4.378  -4.342  -5.774
   43   1HZ   LYS   5           HZA      LYS   5   2.734  -2.013  -5.102
   44   2HZ   LYS   5           HZB      LYS   5   2.067  -3.412  -5.618
   45   3HZ   LYS   5           HZC      LYS   5   2.948  -3.387  -4.244
   46    H    CYS   6           HN       CYS   6   9.203  -3.072  -3.342
   47    HA   CYS   6           HA       CYS   6   9.132  -5.627  -4.804
   48   1HB   CYS   6           HBS      CYS   6  10.949  -4.735  -6.137
   49   2HB   CYS   6           HBR      CYS   6   9.523  -3.663  -6.114
   50    H    ASP   7           HN       ASP   7  10.531  -4.279  -2.005
   51    HA   ASP   7           HA       ASP   7  12.152  -4.921  -0.567
   52   1HB   ASP   7           HBR      ASP   7  11.439  -7.394  -1.905
   53   2HB   ASP   7           HBS      ASP   7  13.141  -7.371  -1.360
   54    H    LYS   8           HN       LYS   8  12.950  -3.086  -2.120
   55    HA   LYS   8           HA       LYS   8  15.812  -3.855  -2.280
   56   1HB   LYS   8           HBS      LYS   8  14.287  -2.493  -4.338
   57   2HB   LYS   8           HBR      LYS   8  15.570  -1.437  -3.686
   58   1HG   LYS   8           HGS      LYS   8  16.240  -2.809  -5.690
   59   2HG   LYS   8           HGR      LYS   8  17.276  -3.028  -4.251
   60   1HD   LYS   8           HDS      LYS   8  15.001  -4.893  -4.465
   61   2HD   LYS   8           HDR      LYS   8  16.109  -4.977  -5.806
   62   1HE   LYS   8           HER      LYS   8  17.987  -5.324  -4.313
   63   2HE   LYS   8           HES      LYS   8  16.889  -5.239  -2.906
   64   1HZ   LYS   8           HZC      LYS   8  15.782  -7.085  -4.541
   65   2HZ   LYS   8           HZA      LYS   8  17.380  -7.397  -4.668
   66   3HZ   LYS   8           HZB      LYS   8  16.662  -7.397  -3.201
   67    H    GLU   9           HN       GLU   9  16.923  -1.392  -2.282
   68    HA   GLU   9           HA       GLU   9  15.801  -0.060   0.149
   69   1HB   GLU   9           HBR      GLU   9  18.481   0.686  -0.811
   70   2HB   GLU   9           HBS      GLU   9  17.831   0.600   0.729
   71   1HG   GLU   9           HGR      GLU   9  19.090  -1.263   1.110
   72   2HG   GLU   9           HGS      GLU   9  17.785  -2.042   0.176
   73    H    VAL  10           HN       VAL  10  15.703   2.218   0.109
   74    HA   VAL  10           HA       VAL  10  15.079   3.107  -2.652
   75    HB   VAL  10           HB       VAL  10  13.663   3.510  -0.013
   76   1HG1  VAL  10           HMG      VAL  10  13.691   5.465  -1.899
   77   2HG1  VAL  10           HMG      VAL  10  12.304   4.491  -2.443
   78   3HG1  VAL  10           HMG      VAL  10  12.337   5.146  -0.788
   79   1HG2  VAL  10           HMG      VAL  10  13.519   1.443  -1.806
   80   2HG2  VAL  10           HMG      VAL  10  12.276   1.887  -0.615
   81   3HG2  VAL  10           HMG      VAL  10  12.146   2.479  -2.286
   82    H    TYR  11           HN       TYR  11  16.168   4.720  -3.427
   83    HA   TYR  11           HA       TYR  11  17.904   6.293  -1.632
   84   1HB   TYR  11           HBS      TYR  11  19.038   7.036  -3.591
   85   2HB   TYR  11           HBR      TYR  11  18.792   5.273  -3.749
   86    HD1  TYR  11           HD1      TYR  11  17.572   8.587  -4.963
   87    HD2  TYR  11           HD2      TYR  11  17.734   4.390  -5.633
   88    HE1  TYR  11           HE1      TYR  11  16.813   8.932  -7.275
   89    HE2  TYR  11           HE2      TYR  11  16.986   4.722  -7.947
   90    HH   TYR  11           HH       TYR  11  16.830   8.028  -9.313
   91    H    PHE  12           HN       PHE  12  18.065   8.654  -2.109
   92    HA   PHE  12           HA       PHE  12  15.901   9.489  -0.744
   93   1HB   PHE  12           HBS      PHE  12  18.121  10.997  -2.059
   94   2HB   PHE  12           HBR      PHE  12  16.696  11.941  -1.536
   95    HD1  PHE  12           HD2      PHE  12  18.168   8.909   0.160
   96    HD2  PHE  12           HD1      PHE  12  17.464  13.111   0.229
   97    HE1  PHE  12           HE2      PHE  12  19.064   9.016   2.464
   98    HE2  PHE  12           HE1      PHE  12  18.351  13.244   2.512
   99    HZ   PHE  12           HZ       PHE  12  19.210  11.209   3.608
  100    H    ALA  13           HN       ALA  13  16.561  11.048  -3.900
  101    HA   ALA  13           HA       ALA  13  14.004  11.898  -4.196
  102   1HB   ALA  13           HMB      ALA  13  16.365  11.568  -6.000
  103   2HB   ALA  13           HMB      ALA  13  14.813  12.019  -6.750
  104   3HB   ALA  13           HMB      ALA  13  15.524  13.053  -5.486
  105    H    GLU  14           HN       GLU  14  14.934   8.734  -4.593
  106    HA   GLU  14           HA       GLU  14  12.370   8.174  -6.009
  107   1HB   GLU  14           HBS      GLU  14  14.999   6.820  -6.010
  108   2HB   GLU  14           HBR      GLU  14  13.663   5.806  -6.071
  109   1HG   GLU  14           HGS      GLU  14  12.963   7.560  -8.019
  110   2HG   GLU  14           HGR      GLU  14  14.732   7.765  -8.137
  111    H    ARG  15           HN       ARG  15  12.640   9.005  -3.346
  112    HA   ARG  15           HA       ARG  15  11.410   6.540  -2.200
  113   1HB   ARG  15           HBR      ARG  15  11.847   7.169   0.001
  114   2HB   ARG  15           HBS      ARG  15  13.388   7.391  -0.872
  115   1HG   ARG  15           HGR      ARG  15  12.332   9.912  -1.008
  116   2HG   ARG  15           HGS      ARG  15  11.700   9.344   0.562
  117   1HD   ARG  15           HDS      ARG  15  14.511   8.684   0.073
  118   2HD   ARG  15           HDR      ARG  15  14.160  10.434   0.135
  119    HE   ARG  15           HE       ARG  15  12.898   9.638   2.339
  120   1HH1  ARG  15           HH1      ARG  15  15.933   8.326   1.117
  121   2HH1  ARG  15           HH1      ARG  15  16.611   8.127   2.699
  122   1HH2  ARG  15           HH2      ARG  15  13.865   9.484   4.383
  123   2HH2  ARG  15           HH2      ARG  15  15.441   8.780   4.547
  124    H    VAL  16           HN       VAL  16   9.371   6.651  -1.525
  125    HA   VAL  16           HA       VAL  16   8.278   9.260  -0.818
  126    HB   VAL  16           HB       VAL  16   6.145   8.956  -1.860
  127   1HG1  VAL  16           HMG      VAL  16   8.086   9.999  -3.150
  128   2HG1  VAL  16           HMG      VAL  16   8.121   8.486  -4.089
  129   3HG1  VAL  16           HMG      VAL  16   6.653   9.495  -4.080
  130   1HG2  VAL  16           HMG      VAL  16   7.240   6.324  -2.835
  131   2HG2  VAL  16           HMG      VAL  16   5.759   6.650  -1.904
  132   3HG2  VAL  16           HMG      VAL  16   5.859   7.132  -3.614
  133    H    THR  17           HN       THR  17   7.306   9.189   1.078
  134    HA   THR  17           HA       THR  17   7.590   6.619   2.452
  135    HB   THR  17           HB       THR  17   7.234   9.451   3.588
  136    HG1  THR  17           HG1      THR  17   8.798   9.446   2.557
  137   1HG2  THR  17           HMG      THR  17   7.138   6.935   4.908
  138   2HG2  THR  17           HMG      THR  17   8.682   7.716   5.330
  139   3HG2  THR  17           HMG      THR  17   7.145   8.569   5.619
  140    H    SER  18           HN       SER  18   6.066   5.582   3.604
  141    HA   SER  18           HA       SER  18   3.380   6.631   4.063
  142   1HB   SER  18           HBR      SER  18   3.162   6.307   1.724
  143   2HB   SER  18           HBS      SER  18   3.986   4.725   1.797
  144    HG   SER  18           HG       SER  18   1.548   5.427   3.208
  145    H    LEU  19           HN       LEU  19   2.385   5.545   5.607
  146    HA   LEU  19           HA       LEU  19   2.216   4.245   7.472
  147   1HB   LEU  19           HBR      LEU  19   3.406   2.230   5.546
  148   2HB   LEU  19           HBS      LEU  19   2.828   1.828   7.188
  149    HG   LEU  19           HG       LEU  19   1.130   1.161   5.705
  150   1HD1  LEU  19           HMD      LEU  19   0.395   2.504   7.693
  151   2HD1  LEU  19           HMD      LEU  19   0.296   3.928   6.626
  152   3HD1  LEU  19           HMD      LEU  19  -0.747   2.513   6.326
  153   1HD2  LEU  19           HMD      LEU  19   1.994   2.415   3.768
  154   2HD2  LEU  19           HMD      LEU  19   0.234   2.614   3.963
  155   3HD2  LEU  19           HMD      LEU  19   1.340   3.921   4.457
  156    H    GLY  20           HN       GLY  20   4.754   5.754   6.608
  157   1HA   GLY  20           HAS      GLY  20   6.361   6.487   8.131
  158   2HA   GLY  20           HAR      GLY  20   6.225   4.943   9.012
  159    H    LYS  21           HN       LYS  21   6.438   3.695   6.139
  160    HA   LYS  21           HA       LYS  21   9.417   3.664   6.140
  161   1HB   LYS  21           HBR      LYS  21   7.672   1.447   6.622
  162   2HB   LYS  21           HBS      LYS  21   8.412   1.246   5.008
  163   1HG   LYS  21           HGR      LYS  21   9.794   0.132   6.651
  164   2HG   LYS  21           HGS      LYS  21  10.658   1.575   6.051
  165   1HD   LYS  21           HDR      LYS  21   9.235   2.509   8.219
  166   2HD   LYS  21           HDS      LYS  21   9.727   0.922   8.744
  167   1HE   LYS  21           HES      LYS  21  11.855   2.461   7.415
  168   2HE   LYS  21           HER      LYS  21  11.207   3.204   8.904
  169   1HZ   LYS  21           HZA      LYS  21  11.506   0.768   9.738
  170   2HZ   LYS  21           HZB      LYS  21  12.648   0.715   8.571
  171   3HZ   LYS  21           HZC      LYS  21  12.748   1.828   9.762
  172    H    ASP  22           HN       ASP  22  10.360   3.697   4.149
  173    HA   ASP  22           HA       ASP  22   8.750   5.245   2.374
  174   1HB   ASP  22           HBS      ASP  22  11.604   4.464   1.871
  175   2HB   ASP  22           HBR      ASP  22  10.723   5.931   1.349
  176    H    TRP  23           HN       TRP  23   8.963   5.043  -0.028
  177    HA   TRP  23           HA       TRP  23   9.218   2.249  -1.006
  178   1HB   TRP  23           HBR      TRP  23   6.965   4.167  -1.620
  179   2HB   TRP  23           HBS      TRP  23   7.117   2.458  -2.142
  180    HD1  TRP  23           HD1      TRP  23   6.506   4.605   1.014
  181    HE1  TRP  23           HE1      TRP  23   4.878   3.333   2.545
  182    HE3  TRP  23           HE3      TRP  23   6.153   0.309  -1.684
  183    HZ2  TRP  23           HZ2      TRP  23   3.516   0.881   2.498
  184    HZ3  TRP  23           HZ3      TRP  23   4.655  -1.458  -0.887
  185    HH2  TRP  23           HH2      TRP  23   3.294  -1.153   1.115
  186    H    HIS  24           HN       ZHI  24   9.319   2.130  -3.370
  187    HA   HIS  24           HA       ZHI  24  10.847   4.275  -4.534
  188   1HB   HIS  24           HBS      ZHI  24   9.772   1.715  -5.802
  189   2HB   HIS  24           HBR      ZHI  24  10.868   2.882  -6.599
  190    HD2  HIS  24           HD2      ZHI  24  13.098   3.357  -4.425
  191    HE1  HIS  24           HE1      ZHI  24  13.033  -0.683  -3.348
  192    HE2  HIS  24           HE2      ZHI  24  14.472   1.382  -3.476
  193    H    ARG  25           HN       ARG  25  10.380   5.547  -6.295
  194    HA   ARG  25           HA       ARG  25   7.897   6.785  -6.177
  195   1HB   ARG  25           HBS      ARG  25  10.081   7.722  -7.102
  196   2HB   ARG  25           HBR      ARG  25   9.680   6.876  -8.625
  197   1HG   ARG  25           HGR      ARG  25   8.717   8.828  -9.183
  198   2HG   ARG  25           HGS      ARG  25   7.369   8.247  -8.165
  199   1HD   ARG  25           HDR      ARG  25   7.743  10.371  -7.365
  200   2HD   ARG  25           HDS      ARG  25   8.662   9.345  -6.231
  201    HE   ARG  25           HE       ARG  25  10.529  10.007  -8.105
  202   1HH1  ARG  25           HH1      ARG  25   8.420  11.808  -5.927
  203   2HH1  ARG  25           HH1      ARG  25   9.399  13.235  -5.986
  204   1HH2  ARG  25           HH2      ARG  25  11.712  11.934  -8.257
  205   2HH2  ARG  25           HH2      ARG  25  11.263  13.308  -7.302
  206    HA   PRO  26           HA       PRO  26   6.742   4.269 -10.135
  207   1HB   PRO  26           HBS      PRO  26   8.191   2.016 -10.428
  208   2HB   PRO  26           HBR      PRO  26   8.308   3.348 -11.383
  209   1HG   PRO  26           HGS      PRO  26  10.056   2.450  -9.399
  210   2HG   PRO  26           HGR      PRO  26  10.367   3.521 -10.639
  211   1HD   PRO  26           HDS      PRO  26  10.049   4.207  -8.072
  212   2HD   PRO  26           HDR      PRO  26   9.964   5.253  -9.350
  213    H    CYS  27           HN       CYS  27   7.783   2.668  -7.302
  214    HA   CYS  27           HA       CYS  27   6.218   0.344  -7.694
  215   1HB   CYS  27           HBS      CYS  27   7.827   1.507  -5.475
  216   2HB   CYS  27           HBR      CYS  27   6.640   0.237  -5.066
  217    H    LEU  28           HN       LEU  28   5.664   3.282  -5.768
  218    HA   LEU  28           HA       LEU  28   3.537   2.242  -4.218
  219   1HB   LEU  28           HBS      LEU  28   5.104   4.272  -3.922
  220   2HB   LEU  28           HBR      LEU  28   3.911   5.153  -4.919
  221    HG   LEU  28           HG       LEU  28   2.246   4.177  -3.078
  222   1HD1  LEU  28           HMD      LEU  28   4.868   3.653  -2.008
  223   2HD1  LEU  28           HMD      LEU  28   4.051   4.891  -1.019
  224   3HD1  LEU  28           HMD      LEU  28   3.270   3.314  -1.297
  225   1HD2  LEU  28           HMD      LEU  28   3.812   6.618  -3.500
  226   2HD2  LEU  28           HMD      LEU  28   2.074   6.411  -3.165
  227   3HD2  LEU  28           HMD      LEU  28   3.245   6.428  -1.822
  228    H    LYS  29           HN       LYS  29   2.192   1.137  -5.671
  229    HA   LYS  29           HA       LYS  29   0.419   2.837  -7.350
  230   1HB   LYS  29           HBS      LYS  29   0.703   1.322  -9.222
  231   2HB   LYS  29           HBR      LYS  29   2.262   2.064  -8.763
  232   1HG   LYS  29           HGS      LYS  29   2.306  -0.266  -7.307
  233   2HG   LYS  29           HGR      LYS  29   1.424  -0.774  -8.775
  234   1HD   LYS  29           HDS      LYS  29   3.675   0.832  -9.526
  235   2HD   LYS  29           HDR      LYS  29   4.212  -0.324  -8.338
  236   1HE   LYS  29           HER      LYS  29   4.269  -1.921  -9.826
  237   2HE   LYS  29           HES      LYS  29   2.529  -1.708 -10.167
  238   1HZ   LYS  29           HZB      LYS  29   4.571   0.018 -11.365
  239   2HZ   LYS  29           HZC      LYS  29   4.117  -1.388 -12.061
  240   3HZ   LYS  29           HZA      LYS  29   3.022  -0.197 -11.837
  241    H    CYS  30           HN       CYS  30  -1.580   1.973  -7.790
  242    HA   CYS  30           HA       CYS  30  -2.681   0.243  -5.867
  243   1HB   CYS  30           HBS      CYS  30  -3.795   2.051  -7.313
  244   2HB   CYS  30           HBR      CYS  30  -3.977   0.750  -8.528
  245    H    GLU  31           HN       GLU  31  -2.998  -1.849  -5.717
  246    HA   GLU  31           HA       GLU  31  -2.125  -3.646  -7.845
  247   1HB   GLU  31           HBS      GLU  31  -2.789  -3.632  -5.038
  248   2HB   GLU  31           HBR      GLU  31  -3.437  -5.007  -5.751
  249   1HG   GLU  31           HGS      GLU  31  -0.694  -4.476  -6.639
  250   2HG   GLU  31           HGR      GLU  31  -0.737  -4.602  -4.860
  251    H    LYS  32           HN       LYS  32  -5.043  -2.094  -6.952
  252    HA   LYS  32           HA       LYS  32  -6.884  -4.165  -7.986
  253   1HB   LYS  32           HBS      LYS  32  -7.397  -2.350  -6.146
  254   2HB   LYS  32           HBR      LYS  32  -7.610  -1.283  -7.563
  255   1HG   LYS  32           HGS      LYS  32  -9.775  -2.036  -7.198
  256   2HG   LYS  32           HGR      LYS  32  -9.186  -3.192  -8.426
  257   1HD   LYS  32           HDR      LYS  32  -8.470  -4.294  -5.976
  258   2HD   LYS  32           HDS      LYS  32 -10.030  -3.591  -5.648
  259   1HE   LYS  32           HES      LYS  32 -10.433  -5.817  -6.319
  260   2HE   LYS  32           HER      LYS  32 -10.865  -4.792  -7.717
  261   1HZ   LYS  32           HZC      LYS  32  -8.156  -5.802  -7.564
  262   2HZ   LYS  32           HZA      LYS  32  -9.332  -6.868  -7.956
  263   3HZ   LYS  32           HZB      LYS  32  -9.099  -5.534  -8.871
  264    H    CYS  33           HN       CYS  33  -6.102  -0.743  -8.722
  265    HA   CYS  33           HA       CYS  33  -7.165  -1.312 -11.402
  266   1HB   CYS  33           HBS      CYS  33  -7.895   0.940 -11.475
  267   2HB   CYS  33           HBR      CYS  33  -8.358   0.197  -9.922
  268    H    GLY  34           HN       GLY  34  -4.187  -0.637  -9.947
  269   1HA   GLY  34           HAR      GLY  34  -2.092  -0.276 -10.815
  270   2HA   GLY  34           HAS      GLY  34  -2.807  -0.620 -12.412
  271    H    LYS  35           HN       LYS  35  -3.671   1.990 -10.148
  272    HA   LYS  35           HA       LYS  35  -2.587   4.002 -12.059
  273   1HB   LYS  35           HBS      LYS  35  -5.003   4.012 -10.800
  274   2HB   LYS  35           HBR      LYS  35  -4.004   4.921  -9.630
  275   1HG   LYS  35           HGR      LYS  35  -5.180   6.372 -11.292
  276   2HG   LYS  35           HGS      LYS  35  -3.403   6.546 -11.318
  277   1HD   LYS  35           HDS      LYS  35  -4.490   4.534 -13.172
  278   2HD   LYS  35           HDR      LYS  35  -5.013   6.167 -13.481
  279   1HE   LYS  35           HES      LYS  35  -2.131   5.314 -13.214
  280   2HE   LYS  35           HER      LYS  35  -3.015   5.589 -14.741
  281   1HZ   LYS  35           HZA      LYS  35  -3.459   7.858 -13.524
  282   2HZ   LYS  35           HZB      LYS  35  -2.025   7.504 -12.827
  283   3HZ   LYS  35           HZC      LYS  35  -2.137   7.612 -14.452
  284    H    THR  36           HN       THR  36  -0.877   5.190 -11.541
  285    HA   THR  36           HA       THR  36   0.801   4.652  -9.292
  286    HB   THR  36           HB       THR  36   0.745   7.240 -10.936
  287    HG1  THR  36           HG1      THR  36   1.989   4.849 -11.271
  288   1HG2  THR  36           HMG      THR  36   2.436   6.375  -8.850
  289   2HG2  THR  36           HMG      THR  36   3.375   6.248 -10.359
  290   3HG2  THR  36           HMG      THR  36   2.618   7.798  -9.909
  291    H    LEU  37           HN       LEU  37   1.152   5.798  -7.429
  292    HA   LEU  37           HA       LEU  37  -1.377   6.965  -6.438
  293   1HB   LEU  37           HBS      LEU  37   0.880   5.396  -5.155
  294   2HB   LEU  37           HBR      LEU  37  -0.537   6.037  -4.273
  295    HG   LEU  37           HG       LEU  37  -0.678   4.026  -6.531
  296   1HD1  LEU  37           HMD      LEU  37   0.476   3.122  -4.539
  297   2HD1  LEU  37           HMD      LEU  37  -0.913   3.608  -3.534
  298   3HD1  LEU  37           HMD      LEU  37  -1.119   2.373  -4.802
  299   1HD2  LEU  37           HMD      LEU  37  -2.629   5.344  -4.650
  300   2HD2  LEU  37           HMD      LEU  37  -2.722   5.143  -6.419
  301   3HD2  LEU  37           HMD      LEU  37  -2.974   3.741  -5.347
  302    H    THR  38           HN       THR  38  -1.359   8.572  -4.807
  303    HA   THR  38           HA       THR  38   0.646  10.594  -5.577
  304    HB   THR  38           HB       THR  38  -2.149  11.012  -4.376
  305    HG1  THR  38           HG1      THR  38  -2.861  10.858  -6.049
  306   1HG2  THR  38           HMG      THR  38  -0.230  12.886  -5.775
  307   2HG2  THR  38           HMG      THR  38  -1.961  13.240  -5.534
  308   3HG2  THR  38           HMG      THR  38  -0.892  13.017  -4.125
  309    H    SER  39           HN       SER  39   0.972  12.389  -3.972
  310    HA   SER  39           HA       SER  39   2.490  11.316  -1.955
  311   1HB   SER  39           HBR      SER  39   2.567  13.652  -3.042
  312   2HB   SER  39           HBS      SER  39   1.450  14.130  -1.733
  313    HG   SER  39           HG       SER  39   3.364  14.622  -0.938
  314    H    GLY  40           HN       GLY  40  -0.881  12.024  -1.891
  315   1HA   GLY  40           HAR      GLY  40  -1.233  10.635   0.632
  316   2HA   GLY  40           HAS      GLY  40  -1.462  12.396   0.786
  317    H    GLY  41           HN       GLY  41  -2.246  10.035  -1.800
  318   1HA   GLY  41           HAR      GLY  41  -5.131  10.324  -1.096
  319   2HA   GLY  41           HAS      GLY  41  -4.609  10.439  -2.795
  320    H    HIS  42           HN       HIS  42  -2.513   8.326  -1.308
  321    HA   HIS  42           HA       HIS  42  -4.114   5.994  -2.112
  322   1HB   HIS  42           HBS      HIS  42  -2.074   4.800  -2.346
  323   2HB   HIS  42           HBR      HIS  42  -1.839   6.409  -3.089
  324    HD1  HIS  42           HD1      HIS  42  -0.989   4.616   0.221
  325    HD2  HIS  42           HD2      HIS  42   0.481   7.486  -2.411
  326    HE1  HIS  42           HE1      HIS  42   1.355   5.116   0.955
  327    HE2  HIS  42           HE2      HIS  42   2.167   7.008  -0.502
  328    H    ALA  43           HN       ALA  43  -2.762   3.992  -0.871
  329    HA   ALA  43           HA       ALA  43  -2.574   4.397   1.949
  330   1HB   ALA  43           HMB      ALA  43  -5.099   3.303   0.901
  331   2HB   ALA  43           HMB      ALA  43  -4.314   2.306   2.153
  332   3HB   ALA  43           HMB      ALA  43  -4.712   4.010   2.490
  333    H    GLU  44           HN       GLU  44  -2.622   1.858   2.872
  334    HA   GLU  44           HA       GLU  44  -1.794  -0.173   1.001
  335   1HB   GLU  44           HBR      GLU  44   0.210   1.260   1.074
  336   2HB   GLU  44           HBS      GLU  44   0.184   1.216   2.751
  337   1HG   GLU  44           HGR      GLU  44   0.277  -1.547   1.792
  338   2HG   GLU  44           HGS      GLU  44   1.588  -0.543   1.115
  339    H    HIS  45           HN       HIS  45  -1.430  -2.189   2.041
  340    HA   HIS  45           HA       HIS  45  -1.527  -2.169   4.992
  341   1HB   HIS  45           HBS      HIS  45  -2.613  -4.349   5.121
  342   2HB   HIS  45           HBR      HIS  45  -3.686  -3.182   4.295
  343    HD1  HIS  45           HD1      HIS  45  -0.983  -5.650   3.039
  344    HD2  HIS  45           HD2      HIS  45  -4.966  -4.594   2.435
  345    HE1  HIS  45           HE1      HIS  45  -1.873  -7.211   1.289
  346    HE2  HIS  45           HE2      HIS  45  -4.292  -6.598   0.945
  347    H    GLU  46           HN       GLU  46  -0.571  -4.342   5.781
  348    HA   GLU  46           HA       GLU  46   2.108  -3.993   5.224
  349   1HB   GLU  46           HBS      GLU  46   0.391  -5.564   6.823
  350   2HB   GLU  46           HBR      GLU  46   1.568  -6.629   6.280
  351   1HG   GLU  46           HGR      GLU  46   1.808  -4.204   8.106
  352   2HG   GLU  46           HGS      GLU  46   2.512  -5.835   8.263
  353    H    GLY  47           HN       GLY  47   2.539  -4.144   3.030
  354   1HA   GLY  47           HAR      GLY  47   3.555  -6.374   1.759
  355   2HA   GLY  47           HAS      GLY  47   1.792  -6.501   1.520
  356    H    LYS  48           HN       LYS  48   0.796  -4.211   0.969
  357    HA   LYS  48           HA       LYS  48   2.319  -2.945  -1.224
  358   1HB   LYS  48           HBR      LYS  48   0.215  -3.624  -2.671
  359   2HB   LYS  48           HBS      LYS  48   1.657  -4.673  -2.559
  360   1HG   LYS  48           HGS      LYS  48   0.581  -6.230  -1.192
  361   2HG   LYS  48           HGR      LYS  48  -0.665  -5.063  -0.669
  362   1HD   LYS  48           HDS      LYS  48  -1.853  -5.282  -2.663
  363   2HD   LYS  48           HDR      LYS  48  -0.462  -5.854  -3.541
  364   1HE   LYS  48           HER      LYS  48  -2.281  -7.532  -3.031
  365   2HE   LYS  48           HES      LYS  48  -0.598  -8.013  -2.678
  366   1HZ   LYS  48           HZB      LYS  48  -1.046  -7.304  -0.377
  367   2HZ   LYS  48           HZC      LYS  48  -2.622  -7.104  -0.755
  368   3HZ   LYS  48           HZA      LYS  48  -1.940  -8.585  -0.849
  369    HA   PRO  49           HA       PRO  49  -0.584   0.295  -0.415
  370   1HB   PRO  49           HBR      PRO  49   0.120   1.832  -2.451
  371   2HB   PRO  49           HBS      PRO  49   0.893   1.836  -1.000
  372   1HG   PRO  49           HGS      PRO  49   1.798   0.832  -3.430
  373   2HG   PRO  49           HGR      PRO  49   2.686   1.194  -2.066
  374   1HD   PRO  49           HDS      PRO  49   1.905  -1.290  -2.909
  375   2HD   PRO  49           HDR      PRO  49   2.737  -0.925  -1.527
  376    H    TYR  50           HN       TYR  50  -2.288   1.557  -1.501
  377    HA   TYR  50           HA       TYR  50  -2.970   0.706  -4.156
  378   1HB   TYR  50           HBR      TYR  50  -5.303   0.437  -2.286
  379   2HB   TYR  50           HBS      TYR  50  -5.035  -0.279  -3.902
  380    HD1  TYR  50           HD2      TYR  50  -3.928  -0.509  -0.345
  381    HD2  TYR  50           HD1      TYR  50  -4.366  -2.542  -4.055
  382    HE1  TYR  50           HE2      TYR  50  -3.180  -2.591   0.716
  383    HE2  TYR  50           HE1      TYR  50  -3.640  -4.638  -2.999
  384    HH   TYR  50           HH       TYR  50  -3.631  -5.609  -0.594
  385    H    CYS  51           HN       CYS  51  -5.275   1.877  -4.629
  386    HA   CYS  51           HA       CYS  51  -5.409   4.589  -3.971
  387   1HB   CYS  51           HBS      CYS  51  -7.670   2.625  -4.422
  388   2HB   CYS  51           HBR      CYS  51  -7.871   4.395  -4.290
  389    H    ASN  52           HN       ASN  52  -5.932   5.765  -2.288
  390    HA   ASN  52           HA       ASN  52  -6.676   4.704   0.268
  391   1HB   ASN  52           HBR      ASN  52  -5.614   6.986  -0.317
  392   2HB   ASN  52           HBS      ASN  52  -7.303   7.511  -0.569
  393   1HD2  ASN  52           HD2      ASN  52  -7.306   8.414   2.813
  394   2HD2  ASN  52           HD2      ASN  52  -7.293   8.950   1.166
  395    H    HIS  53           HN       HIS  53  -8.435   5.776  -2.578
  396    HA   HIS  53           HA       HIS  53 -10.475   3.848  -1.926
  397   1HB   HIS  53           HBS      HIS  53 -11.219   6.796  -1.917
  398   2HB   HIS  53           HBR      HIS  53 -12.377   5.525  -2.404
  399    HD1  HIS  53           HD1      HIS  53 -13.533   4.230  -0.508
  400    HD2  HIS  53           HD2      HIS  53 -10.482   6.746   0.797
  401    HE1  HIS  53           HE1      HIS  53 -13.787   4.419   1.978
  402    HE2  HIS  53           HE2      HIS  53 -11.936   5.930   2.775
  403    HA   PRO  54           HA       PRO  54 -12.487   3.685  -2.610
  404   1HB   PRO  54           HBR      PRO  54 -13.753   1.969  -4.221
  405   2HB   PRO  54           HBS      PRO  54 -14.297   3.475  -3.851
  406   1HG   PRO  54           HGR      PRO  54 -13.329   2.587  -6.278
  407   2HG   PRO  54           HGS      PRO  54 -14.051   4.048  -5.920
  408   1HD   PRO  54           HDS      PRO  54 -11.357   3.538  -6.290
  409   2HD   PRO  54           HDR      PRO  54 -12.087   5.002  -6.051
  410    H    CYS  55           HN       CYS  55 -10.096   2.313  -4.398
  411    HA   CYS  55           HA       CYS  55 -10.721  -0.354  -4.295
  412   1HB   CYS  55           HBS      CYS  55  -7.941   0.849  -4.361
  413   2HB   CYS  55           HBR      CYS  55  -8.386  -0.817  -4.828
  414    H    TYR  56           HN       TYR  56  -8.704   1.453  -1.976
  415    HA   TYR  56           HA       TYR  56  -8.081  -0.703  -0.263
  416   1HB   TYR  56           HBR      TYR  56  -6.946   1.435  -0.095
  417   2HB   TYR  56           HBS      TYR  56  -8.467   2.248   0.370
  418    HD1  TYR  56           HD2      TYR  56  -9.589   1.394   2.549
  419    HD2  TYR  56           HD1      TYR  56  -5.518   0.620   1.593
  420    HE1  TYR  56           HE2      TYR  56  -9.120   0.985   4.922
  421    HE2  TYR  56           HE1      TYR  56  -5.030   0.225   3.969
  422    HH   TYR  56           HH       TYR  56  -6.909   1.263   6.371
  423    H    SER  57           HN       SER  57 -10.890   1.472  -0.393
  424    HA   SER  57           HA       SER  57 -12.041   0.337   2.003
  425   1HB   SER  57           HBS      SER  57 -12.441   2.624   1.650
  426   2HB   SER  57           HBR      SER  57 -13.020   2.361  -0.021
  427    HG   SER  57           HG       SER  57 -14.178   1.327   2.443
  428    H    ALA  58           HN       ALA  58 -12.076  -0.461  -1.326
  429    HA   ALA  58           HA       ALA  58 -14.539  -1.934  -1.334
  430   1HB   ALA  58           HMB      ALA  58 -12.663  -1.133  -3.206
  431   2HB   ALA  58           HMB      ALA  58 -12.484  -2.906  -3.161
  432   3HB   ALA  58           HMB      ALA  58 -14.078  -2.180  -3.492
  433    H    MET  59           HN       MET  59 -11.114  -2.828  -0.864
  434    HA   MET  59           HA       MET  59 -11.764  -5.645  -0.709
  435   1HB   MET  59           HBS      MET  59  -9.369  -4.001  -0.993
  436   2HB   MET  59           HBR      MET  59  -9.141  -5.341   0.159
  437   1HG   MET  59           HGR      MET  59  -8.583  -6.320  -1.901
  438   2HG   MET  59           HGS      MET  59 -10.266  -6.836  -1.658
  439   1HE   MET  59           HME      MET  59  -8.549  -3.549  -2.532
  440   2HE   MET  59           HME      MET  59  -7.909  -4.422  -3.947
  441   3HE   MET  59           HME      MET  59  -9.111  -3.126  -4.168
  442    H    PHE  60           HN       PHE  60 -10.829  -3.085   1.558
  443    HA   PHE  60           HA       PHE  60  -9.983  -4.722   3.631
  444   1HB   PHE  60           HBR      PHE  60 -10.627  -1.875   3.369
  445   2HB   PHE  60           HBS      PHE  60 -11.040  -2.518   4.987
  446    HD1  PHE  60           HD1      PHE  60  -8.395  -2.251   2.460
  447    HD2  PHE  60           HD2      PHE  60  -9.241  -3.002   6.570
  448    HE1  PHE  60           HE1      PHE  60  -5.985  -2.308   2.925
  449    HE2  PHE  60           HE2      PHE  60  -6.817  -3.066   7.062
  450    HZ   PHE  60           HZ       PHE  60  -5.194  -2.815   5.206
  451    H    GLY  61           HN       GLY  61 -11.351  -6.458   3.908
  452   1HA   GLY  61           HAS      GLY  61 -13.813  -5.844   5.494
  453   2HA   GLY  61           HAR      GLY  61 -13.565  -7.363   4.586
  454    HA   PRO  62           HA       PRO  62 -12.293  -8.360   8.814
  455   1HB   PRO  62           HBS      PRO  62 -13.229 -10.927   8.252
  456   2HB   PRO  62           HBR      PRO  62 -13.717  -9.918   9.451
  457   1HG   PRO  62           HGS      PRO  62 -15.142 -10.557   7.305
  458   2HG   PRO  62           HGR      PRO  62 -15.451  -9.240   8.282
  459   1HD   PRO  62           HDS      PRO  62 -14.321  -9.283   5.712
  460   2HD   PRO  62           HDR      PRO  62 -15.005  -8.009   6.512
  461    H    LYS  63           HN       LYS  63 -11.331  -9.272   5.816
  462    HA   LYS  63           HA       LYS  63  -9.816 -11.561   6.305
  463   1HB   LYS  63           HBS      LYS  63 -10.384 -10.732   4.058
  464   2HB   LYS  63           HBR      LYS  63  -9.238  -9.377   4.275
  465   1HG   LYS  63           HGR      LYS  63  -7.765 -11.722   4.829
  466   2HG   LYS  63           HGS      LYS  63  -8.747 -12.096   3.382
  467   1HD   LYS  63           HDS      LYS  63  -6.908  -9.720   3.699
  468   2HD   LYS  63           HDR      LYS  63  -6.520 -11.207   2.878
  469   1HE   LYS  63           HES      LYS  63  -8.639  -9.218   2.087
  470   2HE   LYS  63           HER      LYS  63  -7.111  -9.601   1.246
  471   1HZ   LYS  63           HZC      LYS  63  -8.043 -11.906   1.086
  472   2HZ   LYS  63           HZA      LYS  63  -9.491 -11.285   1.517
  473   3HZ   LYS  63           HZB      LYS  63  -8.759 -10.777   0.149
  474    H    GLY  64           HN       GLY  64  -7.658 -11.967   6.670
  475   1HA   GLY  64           HAR      GLY  64  -5.784  -9.737   7.011
  476   2HA   GLY  64           HAS      GLY  64  -6.028 -10.750   8.459
  477    H    PHE  65           HN       PHE  65  -4.273 -11.973   8.626
  478    HA   PHE  65           HA       PHE  65  -4.093 -14.304   7.176
  479   1HB   PHE  65           HBS      PHE  65  -3.203 -12.961   5.265
  480   2HB   PHE  65           HBR      PHE  65  -1.826 -12.467   6.292
  481    HD1  PHE  65           HD2      PHE  65  -3.385 -15.894   6.159
  482    HD2  PHE  65           HD1      PHE  65  -0.104 -13.382   5.116
  483    HE1  PHE  65           HE2      PHE  65  -2.060 -17.890   5.540
  484    HE2  PHE  65           HE1      PHE  65   1.230 -15.346   4.497
  485    HZ   PHE  65           HZ       PHE  65   0.276 -17.605   4.765
  486    H    GLY  66           HN       GLY  66  -1.344 -12.215   8.092
  487   1HA   GLY  66           HAS      GLY  66  -0.295 -12.279  10.244
  488   2HA   GLY  66           HAR      GLY  66  -0.886 -13.947  10.465
  489    H    ARG  67           HN       ARG  67   1.217 -14.638  10.975
  490    HA   ARG  67           HA       ARG  67   3.528 -13.971   9.577
  491   1HB   ARG  67           HBS      ARG  67   4.326 -16.301  10.546
  492   2HB   ARG  67           HBR      ARG  67   4.046 -14.879  11.591
  493   1HG   ARG  67           HGS      ARG  67   1.687 -16.615  11.200
  494   2HG   ARG  67           HGR      ARG  67   3.058 -17.385  12.051
  495   1HD   ARG  67           HDS      ARG  67   1.792 -14.741  12.772
  496   2HD   ARG  67           HDR      ARG  67   1.471 -16.305  13.573
  497    HE   ARG  67           HE       ARG  67   3.695 -16.272  14.456
  498   1HH1  ARG  67           HH1      ARG  67   3.052 -13.428  12.474
  499   2HH1  ARG  67           HH1      ARG  67   4.241 -12.463  13.281
  500   1HH2  ARG  67           HH2      ARG  67   5.150 -14.940  15.572
  501   2HH2  ARG  67           HH2      ARG  67   5.430 -13.318  15.033
  502    H    GLY  68           HN       GLY  68   2.284 -17.316   9.577
  503   1HA   GLY  68           HAS      GLY  68   2.128 -17.853   6.819
  504   2HA   GLY  68           HAR      GLY  68   3.849 -17.969   7.276
  505    H    GLY  69           HN       GLY  69   4.365 -20.023   7.514
  506   1HA   GLY  69           HAS      GLY  69   3.469 -21.477   9.763
  507   2HA   GLY  69           HAR      GLY  69   2.714 -22.204   8.319
  508    H    ALA  70           HN       ALA  70   3.964 -24.096   8.785
  509    HA   ALA  70           HA       ALA  70   6.847 -23.881   8.054
  510   1HB   ALA  70           HMB      ALA  70   5.535 -24.836  10.510
  511   2HB   ALA  70           HMB      ALA  70   6.751 -25.946   9.830
  512   3HB   ALA  70           HMB      ALA  70   7.200 -24.269  10.228
  513    H    GLU  71           HN       GLU  71   7.479 -26.538   8.295
  514    HA   GLU  71           HA       GLU  71   6.055 -27.575   5.891
  515   1HB   GLU  71           HBS      GLU  71   8.837 -27.725   6.958
  516   2HB   GLU  71           HBR      GLU  71   8.373 -28.726   5.694
  517   1HG   GLU  71           HGS      GLU  71   7.576 -26.024   5.081
  518   2HG   GLU  71           HGR      GLU  71   9.277 -25.943   5.615
  519    H    SER  72           HN       SER  72   8.390 -29.173   8.033
  520    HA   SER  72           HA       SER  72   6.597 -30.438   9.745
  521   1HB   SER  72           HBS      SER  72   6.675 -32.778   8.928
  522   2HB   SER  72           HBR      SER  72   5.680 -31.684   7.926
  523    HG   SER  72           HG       SER  72   7.573 -33.373   7.206
  524    H    HIS  73           HN       HIS  73   9.118 -32.236   8.027
  525    HA   HIS  73           HA       HIS  73  11.235 -31.739   9.924
  526   1HB   HIS  73           HBR      HIS  73  11.212 -33.921  11.048
  527   2HB   HIS  73           HBS      HIS  73   9.761 -32.962  11.459
  528    HD1  HIS  73           HD1      HIS  73   7.756 -34.504  11.576
  529    HD2  HIS  73           HD2      HIS  73  10.416 -35.587   8.559
  530    HE1  HIS  73           HE1      HIS  73   6.677 -36.389  10.325
  531    HE2  HIS  73           HE2      HIS  73   8.272 -37.033   8.484
  532    H    THR  74           HN       THR  74  10.602 -32.067   7.025
  533    HA   THR  74           HA       THR  74  12.097 -34.467   6.305
  534    HB   THR  74           HB       THR  74  11.098 -32.308   4.383
  535    HG1  THR  74           HG1      THR  74   9.898 -34.499   5.454
  536   1HG2  THR  74           HMG      THR  74  12.232 -34.948   4.059
  537   2HG2  THR  74           HMG      THR  74  10.606 -34.857   3.337
  538   3HG2  THR  74           HMG      THR  74  11.865 -33.697   2.842
  539    H    PHE  75           HN       PHE  75  14.082 -34.589   5.449
  540    HA   PHE  75           HA       PHE  75  16.271 -34.036   5.086
  541   1HB   PHE  75           HBS      PHE  75  15.763 -31.071   5.013
  542   2HB   PHE  75           HBR      PHE  75  16.935 -32.065   4.099
  543    HD1  PHE  75           HD1      PHE  75  15.748 -33.913   2.646
  544    HD2  PHE  75           HD2      PHE  75  13.953 -30.198   3.711
  545    HE1  PHE  75           HE1      PHE  75  14.314 -34.062   0.661
  546    HE2  PHE  75           HE2      PHE  75  12.494 -30.325   1.718
  547    HZ   PHE  75           HZ       PHE  75  12.729 -32.240   0.161
  548    H    LYS  76           HN       LYS  76  15.135 -31.066   6.711
  549    HA   LYS  76           HA       LYS  76  16.990 -31.719   8.958
  550   1HB   LYS  76           HBS      LYS  76  16.421 -29.030   7.666
  551   2HB   LYS  76           HBR      LYS  76  17.454 -29.314   9.095
  552   1HG   LYS  76           HGR      LYS  76  19.214 -29.714   7.780
  553   2HG   LYS  76           HGS      LYS  76  18.328 -31.025   6.949
  554   1HD   LYS  76           HDS      LYS  76  17.720 -29.738   5.201
  555   2HD   LYS  76           HDR      LYS  76  17.595 -28.291   6.163
  556   1HE   LYS  76           HES      LYS  76  19.393 -28.042   4.593
  557   2HE   LYS  76           HER      LYS  76  20.031 -28.110   6.262
  558   1HZ   LYS  76           HZA      LYS  76  19.909 -30.461   4.512
  559   2HZ   LYS  76           HZB      LYS  76  21.213 -29.480   4.580
  560   3HZ   LYS  76           HZC      LYS  76  20.733 -30.294   5.912
   
  No H/Q in entry =         560
  Start of MODEL   34
    1    H    PRO   1           HN       PRO   1  14.785   1.430   5.681
    2    HA   PRO   1           HA       PRO   1  13.526   3.014   4.389
    3   1HB   PRO   1           HBR      PRO   1  15.500   4.110   2.866
    4   2HB   PRO   1           HBS      PRO   1  14.559   4.900   3.954
    5   1HG   PRO   1           HGR      PRO   1  17.213   4.400   4.188
    6   2HG   PRO   1           HGS      PRO   1  16.213   5.104   5.323
    7   1HD   PRO   1           HDR      PRO   1  17.209   2.487   5.265
    8   2HD   PRO   1           HDS      PRO   1  16.536   3.298   6.539
    9    H    LYS   2           HN       LYS   2  12.913   0.880   3.871
   10    HA   LYS   2           HA       LYS   2  14.185  -0.050   1.339
   11   1HB   LYS   2           HBS      LYS   2  14.796  -1.213   3.634
   12   2HB   LYS   2           HBR      LYS   2  13.210  -2.001   3.395
   13   1HG   LYS   2           HGR      LYS   2  13.981  -2.781   1.155
   14   2HG   LYS   2           HGS      LYS   2  15.588  -2.077   1.497
   15   1HD   LYS   2           HDS      LYS   2  16.216  -3.772   2.766
   16   2HD   LYS   2           HDR      LYS   2  14.715  -3.775   3.650
   17   1HE   LYS   2           HES      LYS   2  14.232  -4.798   1.016
   18   2HE   LYS   2           HER      LYS   2  15.605  -5.650   1.776
   19   1HZ   LYS   2           HZC      LYS   2  13.538  -5.304   3.625
   20   2HZ   LYS   2           HZA      LYS   2  12.934  -6.012   2.283
   21   3HZ   LYS   2           HZB      LYS   2  14.193  -6.693   3.069
   22    H    CYS   3           HN       CYS   3  12.859  -0.846  -0.168
   23    HA   CYS   3           HA       CYS   3  10.211   0.038   0.018
   24   1HB   CYS   3           HBS      CYS   3  11.732   0.092  -1.955
   25   2HB   CYS   3           HBR      CYS   3  11.445  -1.660  -2.155
   26    HA   PRO   4           HA       PRO   4   8.198  -3.733   1.334
   27   1HB   PRO   4           HBR      PRO   4   5.785  -2.459   1.263
   28   2HB   PRO   4           HBS      PRO   4   6.653  -2.825   2.607
   29   1HG   PRO   4           HGS      PRO   4   6.171  -0.362   1.684
   30   2HG   PRO   4           HGR      PRO   4   7.269  -0.754   2.879
   31   1HD   PRO   4           HDS      PRO   4   7.760  -0.182   0.150
   32   2HD   PRO   4           HDR      PRO   4   8.777   0.008   1.441
   33    H    LYS   5           HN       LYS   5   7.965  -1.951  -1.454
   34    HA   LYS   5           HA       LYS   5   5.830  -3.537  -2.693
   35   1HB   LYS   5           HBR      LYS   5   6.871  -0.997  -3.143
   36   2HB   LYS   5           HBS      LYS   5   7.506  -1.970  -4.499
   37   1HG   LYS   5           HGR      LYS   5   4.571  -1.837  -3.709
   38   2HG   LYS   5           HGS      LYS   5   5.324  -0.829  -4.979
   39   1HD   LYS   5           HDR      LYS   5   5.659  -2.567  -6.398
   40   2HD   LYS   5           HDS      LYS   5   5.680  -3.778  -5.147
   41   1HE   LYS   5           HER      LYS   5   3.194  -3.227  -4.827
   42   2HE   LYS   5           HES      LYS   5   3.323  -2.379  -6.394
   43   1HZ   LYS   5           HZC      LYS   5   4.170  -4.472  -7.304
   44   2HZ   LYS   5           HZA      LYS   5   3.873  -5.220  -5.883
   45   3HZ   LYS   5           HZB      LYS   5   2.638  -4.602  -6.754
   46    H    CYS   6           HN       CYS   6   9.182  -2.783  -3.716
   47    HA   CYS   6           HA       CYS   6   9.051  -5.221  -5.342
   48   1HB   CYS   6           HBS      CYS   6  10.915  -4.278  -6.587
   49   2HB   CYS   6           HBR      CYS   6   9.513  -3.177  -6.491
   50    H    ASP   7           HN       ASP   7  10.508  -4.150  -2.450
   51    HA   ASP   7           HA       ASP   7  12.120  -4.952  -1.083
   52   1HB   ASP   7           HBS      ASP   7  11.029  -7.115  -1.508
   53   2HB   ASP   7           HBR      ASP   7  12.185  -7.403  -2.840
   54    H    LYS   8           HN       LYS   8  12.925  -3.046  -2.618
   55    HA   LYS   8           HA       LYS   8  15.771  -3.864  -2.933
   56   1HB   LYS   8           HBS      LYS   8  14.189  -2.273  -4.748
   57   2HB   LYS   8           HBR      LYS   8  15.470  -1.270  -4.009
   58   1HG   LYS   8           HGS      LYS   8  16.316  -2.207  -6.065
   59   2HG   LYS   8           HGR      LYS   8  17.141  -3.006  -4.696
   60   1HD   LYS   8           HDR      LYS   8  14.672  -4.275  -5.716
   61   2HD   LYS   8           HDS      LYS   8  15.998  -4.249  -6.845
   62   1HE   LYS   8           HER      LYS   8  17.414  -5.430  -5.313
   63   2HE   LYS   8           HES      LYS   8  16.199  -5.292  -4.011
   64   1HZ   LYS   8           HZC      LYS   8  15.808  -6.746  -6.537
   65   2HZ   LYS   8           HZA      LYS   8  16.167  -7.439  -5.102
   66   3HZ   LYS   8           HZB      LYS   8  14.745  -6.662  -5.300
   67    H    GLU   9           HN       GLU   9  16.939  -1.442  -2.691
   68    HA   GLU   9           HA       GLU   9  15.920  -0.324  -0.111
   69   1HB   GLU   9           HBR      GLU   9  18.524   0.599  -1.041
   70   2HB   GLU   9           HBS      GLU   9  17.955   0.193   0.479
   71   1HG   GLU   9           HGR      GLU   9  19.221  -1.732  -1.480
   72   2HG   GLU   9           HGS      GLU   9  19.574  -1.386   0.234
   73    H    VAL  10           HN       VAL  10  15.693   1.893   0.069
   74    HA   VAL  10           HA       VAL  10  15.012   3.057  -2.568
   75    HB   VAL  10           HB       VAL  10  13.770   3.292   0.175
   76   1HG1  VAL  10           HMG      VAL  10  13.756   5.507  -1.056
   77   2HG1  VAL  10           HMG      VAL  10  12.723   4.722  -2.272
   78   3HG1  VAL  10           HMG      VAL  10  12.171   4.851  -0.585
   79   1HG2  VAL  10           HMG      VAL  10  13.414   1.397  -1.729
   80   2HG2  VAL  10           HMG      VAL  10  12.199   1.871  -0.519
   81   3HG2  VAL  10           HMG      VAL  10  12.133   2.562  -2.155
   82    H    TYR  11           HN       TYR  11  16.116   4.673  -3.296
   83    HA   TYR  11           HA       TYR  11  18.089   6.035  -1.571
   84   1HB   TYR  11           HBS      TYR  11  18.850   5.324  -3.767
   85   2HB   TYR  11           HBR      TYR  11  17.520   6.218  -4.553
   86    HD1  TYR  11           HD1      TYR  11  17.545   8.748  -4.471
   87    HD2  TYR  11           HD2      TYR  11  20.840   6.443  -3.088
   88    HE1  TYR  11           HE1      TYR  11  18.989  10.730  -4.625
   89    HE2  TYR  11           HE2      TYR  11  22.299   8.409  -3.261
   90    HH   TYR  11           HH       TYR  11  22.043  10.837  -3.123
   91    H    PHE  12           HN       PHE  12  18.164   8.364  -1.553
   92    HA   PHE  12           HA       PHE  12  15.900   9.138  -0.266
   93   1HB   PHE  12           HBS      PHE  12  18.296  10.679  -1.195
   94   2HB   PHE  12           HBR      PHE  12  16.868  11.615  -0.668
   95    HD1  PHE  12           HD1      PHE  12  18.937   8.722   0.330
   96    HD2  PHE  12           HD2      PHE  12  16.677  12.070   1.685
   97    HE1  PHE  12           HE1      PHE  12  19.709   8.291   2.620
   98    HE2  PHE  12           HE2      PHE  12  17.440  11.656   4.001
   99    HZ   PHE  12           HZ       PHE  12  19.011   9.792   4.448
  100    H    ALA  13           HN       ALA  13  16.962  11.003  -3.129
  101    HA   ALA  13           HA       ALA  13  14.541  12.132  -3.548
  102   1HB   ALA  13           HMB      ALA  13  16.936  12.543  -4.562
  103   2HB   ALA  13           HMB      ALA  13  16.305  11.579  -5.921
  104   3HB   ALA  13           HMB      ALA  13  15.491  13.091  -5.448
  105    H    GLU  14           HN       GLU  14  15.163   8.920  -4.130
  106    HA   GLU  14           HA       GLU  14  13.024   8.655  -6.147
  107   1HB   GLU  14           HBS      GLU  14  14.822   6.719  -4.750
  108   2HB   GLU  14           HBR      GLU  14  13.737   6.239  -5.936
  109   1HG   GLU  14           HGR      GLU  14  15.016   7.757  -7.614
  110   2HG   GLU  14           HGS      GLU  14  16.049   8.196  -6.228
  111    H    ARG  15           HN       ARG  15  12.730   9.398  -3.142
  112    HA   ARG  15           HA       ARG  15  11.549   6.937  -2.055
  113   1HB   ARG  15           HBR      ARG  15  11.738   7.926   0.091
  114   2HB   ARG  15           HBS      ARG  15  13.255   8.262  -0.789
  115   1HG   ARG  15           HGR      ARG  15  12.373  10.564  -1.268
  116   2HG   ARG  15           HGS      ARG  15  10.997  10.198  -0.191
  117   1HD   ARG  15           HDR      ARG  15  13.443   9.485   1.104
  118   2HD   ARG  15           HDS      ARG  15  13.558  11.156   0.486
  119    HE   ARG  15           HE       ARG  15  11.057  10.780   1.799
  120   1HH1  ARG  15           HH1      ARG  15  14.482  10.790   2.634
  121   2HH1  ARG  15           HH1      ARG  15  14.218  11.564   4.160
  122   1HH2  ARG  15           HH2      ARG  15  10.767  11.906   3.744
  123   2HH2  ARG  15           HH2      ARG  15  12.117  12.195   4.790
  124    H    VAL  16           HN       VAL  16   9.546   6.779  -1.102
  125    HA   VAL  16           HA       VAL  16   8.017   9.200  -0.711
  126    HB   VAL  16           HB       VAL  16   5.936   8.467  -1.627
  127   1HG1  VAL  16           HMG      VAL  16   8.200   8.349  -3.625
  128   2HG1  VAL  16           HMG      VAL  16   6.482   8.378  -4.089
  129   3HG1  VAL  16           HMG      VAL  16   7.182   9.741  -3.182
  130   1HG2  VAL  16           HMG      VAL  16   6.267   6.031  -1.289
  131   2HG2  VAL  16           HMG      VAL  16   5.592   6.456  -2.880
  132   3HG2  VAL  16           HMG      VAL  16   7.308   6.008  -2.733
  133    H    THR  17           HN       THR  17   6.624   9.058   1.030
  134    HA   THR  17           HA       THR  17   7.360   6.777   2.796
  135    HB   THR  17           HB       THR  17   6.772   9.637   3.727
  136    HG1  THR  17           HG1      THR  17   9.084   8.326   3.160
  137   1HG2  THR  17           HMG      THR  17   7.420   7.181   5.080
  138   2HG2  THR  17           HMG      THR  17   8.695   8.394   5.363
  139   3HG2  THR  17           HMG      THR  17   6.999   8.779   5.751
  140    H    SER  18           HN       SER  18   5.885   5.842   4.068
  141    HA   SER  18           HA       SER  18   3.193   6.634   4.476
  142   1HB   SER  18           HBR      SER  18   3.161   6.468   1.972
  143   2HB   SER  18           HBS      SER  18   3.511   4.724   2.152
  144    HG   SER  18           HG       SER  18   1.189   6.226   2.438
  145    H    LEU  19           HN       LEU  19   2.286   5.343   5.915
  146    HA   LEU  19           HA       LEU  19   2.289   3.877   7.672
  147   1HB   LEU  19           HBR      LEU  19   3.298   2.067   5.457
  148   2HB   LEU  19           HBS      LEU  19   2.651   1.524   7.031
  149    HG   LEU  19           HG       LEU  19   0.946   1.196   5.428
  150   1HD1  LEU  19           HMD      LEU  19   0.381   2.402   7.629
  151   2HD1  LEU  19           HMD      LEU  19   0.210   3.868   6.631
  152   3HD1  LEU  19           HMD      LEU  19  -0.827   2.453   6.320
  153   1HD2  LEU  19           HMD      LEU  19   2.018   2.742   3.760
  154   2HD2  LEU  19           HMD      LEU  19   0.243   2.863   3.856
  155   3HD2  LEU  19           HMD      LEU  19   1.264   4.104   4.627
  156    H    GLY  20           HN       GLY  20   4.603   5.554   7.318
  157   1HA   GLY  20           HAR      GLY  20   6.513   5.937   8.541
  158   2HA   GLY  20           HAS      GLY  20   5.988   4.562   9.550
  159    H    LYS  21           HN       LYS  21   6.403   3.890   6.198
  160    HA   LYS  21           HA       LYS  21   9.293   3.468   6.401
  161   1HB   LYS  21           HBR      LYS  21   7.928   1.242   6.884
  162   2HB   LYS  21           HBS      LYS  21   7.767   1.241   5.103
  163   1HG   LYS  21           HGS      LYS  21   9.872   0.525   4.831
  164   2HG   LYS  21           HGR      LYS  21  10.515   1.776   5.935
  165   1HD   LYS  21           HDR      LYS  21  10.142   0.401   7.819
  166   2HD   LYS  21           HDS      LYS  21   9.154  -0.728   6.932
  167   1HE   LYS  21           HES      LYS  21  11.264  -1.757   7.281
  168   2HE   LYS  21           HER      LYS  21  11.190  -1.283   5.560
  169   1HZ   LYS  21           HZA      LYS  21  12.274   0.742   7.220
  170   2HZ   LYS  21           HZB      LYS  21  13.148  -0.636   7.293
  171   3HZ   LYS  21           HZC      LYS  21  12.875   0.084   5.852
  172    H    ASP  22           HN       ASP  22  10.296   3.384   4.348
  173    HA   ASP  22           HA       ASP  22   8.862   5.164   2.583
  174   1HB   ASP  22           HBS      ASP  22  11.729   4.335   2.260
  175   2HB   ASP  22           HBR      ASP  22  10.920   5.854   1.776
  176    H    TRP  23           HN       TRP  23   9.249   5.055   0.203
  177    HA   TRP  23           HA       TRP  23   9.394   2.287  -0.868
  178   1HB   TRP  23           HBR      TRP  23   7.325   4.376  -1.566
  179   2HB   TRP  23           HBS      TRP  23   7.375   2.659  -2.080
  180    HD1  TRP  23           HD1      TRP  23   6.681   4.860   1.020
  181    HE1  TRP  23           HE1      TRP  23   4.929   3.664   2.472
  182    HE3  TRP  23           HE3      TRP  23   6.354   0.528  -1.625
  183    HZ2  TRP  23           HZ2      TRP  23   3.504   1.248   2.392
  184    HZ3  TRP  23           HZ3      TRP  23   4.807  -1.208  -0.848
  185    HH2  TRP  23           HH2      TRP  23   3.327  -0.820   1.054
  186    H    HIS  24           HN       ZHI  24   9.327   2.410  -3.348
  187    HA   HIS  24           HA       ZHI  24  10.981   4.621  -4.337
  188   1HB   HIS  24           HBS      ZHI  24   9.927   2.170  -5.820
  189   2HB   HIS  24           HBR      ZHI  24  11.077   3.382  -6.460
  190    HD2  HIS  24           HD2      ZHI  24  13.219   3.598  -4.158
  191    HE1  HIS  24           HE1      ZHI  24  13.020  -0.518  -3.453
  192    HE2  HIS  24           HE2      ZHI  24  14.508   1.510  -3.335
  193    H    ARG  25           HN       ARG  25  10.445   6.020  -5.962
  194    HA   ARG  25           HA       ARG  25   7.923   7.169  -5.636
  195   1HB   ARG  25           HBS      ARG  25  10.307   7.701  -7.227
  196   2HB   ARG  25           HBR      ARG  25   8.810   8.100  -8.119
  197   1HG   ARG  25           HGR      ARG  25   8.242   9.269  -5.759
  198   2HG   ARG  25           HGS      ARG  25  10.025   9.378  -5.720
  199   1HD   ARG  25           HDS      ARG  25   8.866  11.340  -6.722
  200   2HD   ARG  25           HDR      ARG  25  10.082  10.558  -7.770
  201    HE   ARG  25           HE       ARG  25   7.289   9.719  -8.133
  202   1HH1  ARG  25           HH1      ARG  25   9.794  11.992  -9.126
  203   2HH1  ARG  25           HH1      ARG  25   9.178  12.135 -10.739
  204   1HH2  ARG  25           HH2      ARG  25   6.588   9.833 -10.286
  205   2HH2  ARG  25           HH2      ARG  25   7.363  10.915 -11.395
  206    HA   PRO  26           HA       PRO  26   6.795   5.225  -9.901
  207   1HB   PRO  26           HBS      PRO  26   8.308   3.090 -10.562
  208   2HB   PRO  26           HBR      PRO  26   8.363   4.558 -11.296
  209   1HG   PRO  26           HGS      PRO  26  10.174   3.422  -9.500
  210   2HG   PRO  26           HGR      PRO  26  10.426   4.688 -10.557
  211   1HD   PRO  26           HDS      PRO  26  10.135   4.946  -7.910
  212   2HD   PRO  26           HDR      PRO  26   9.980   6.178  -9.003
  213    H    CYS  27           HN       CYS  27   7.913   3.202  -7.383
  214    HA   CYS  27           HA       CYS  27   6.479   0.904  -8.092
  215   1HB   CYS  27           HBS      CYS  27   7.852   1.891  -5.642
  216   2HB   CYS  27           HBR      CYS  27   6.710   0.528  -5.461
  217    H    LEU  28           HN       LEU  28   5.591   3.595  -5.949
  218    HA   LEU  28           HA       LEU  28   3.630   2.244  -4.507
  219   1HB   LEU  28           HBR      LEU  28   4.896   4.433  -4.102
  220   2HB   LEU  28           HBS      LEU  28   3.613   5.211  -5.071
  221    HG   LEU  28           HG       LEU  28   1.989   4.162  -3.363
  222   1HD1  LEU  28           HMD      LEU  28   4.505   3.259  -2.333
  223   2HD1  LEU  28           HMD      LEU  28   3.791   4.412  -1.176
  224   3HD1  LEU  28           HMD      LEU  28   2.866   2.979  -1.694
  225   1HD2  LEU  28           HMD      LEU  28   3.718   6.530  -3.314
  226   2HD2  LEU  28           HMD      LEU  28   1.957   6.389  -3.087
  227   3HD2  LEU  28           HMD      LEU  28   3.059   6.103  -1.715
  228    H    LYS  29           HN       LYS  29   2.202   1.079  -5.683
  229    HA   LYS  29           HA       LYS  29   0.391   2.534  -7.549
  230   1HB   LYS  29           HBR      LYS  29   2.430   0.510  -8.141
  231   2HB   LYS  29           HBS      LYS  29   0.797   0.053  -8.703
  232   1HG   LYS  29           HGS      LYS  29   0.637   2.224  -9.907
  233   2HG   LYS  29           HGR      LYS  29   2.307   2.602  -9.398
  234   1HD   LYS  29           HDR      LYS  29   3.115   1.473 -11.094
  235   2HD   LYS  29           HDS      LYS  29   2.296   0.017 -10.596
  236   1HE   LYS  29           HES      LYS  29   0.240   0.902 -11.788
  237   2HE   LYS  29           HER      LYS  29   1.295   2.197 -12.419
  238   1HZ   LYS  29           HZA      LYS  29   2.257  -0.492 -12.749
  239   2HZ   LYS  29           HZB      LYS  29   0.940  -0.107 -13.633
  240   3HZ   LYS  29           HZC      LYS  29   2.308   0.774 -13.780
  241    H    CYS  30           HN       CYS  30  -1.621   1.639  -7.840
  242    HA   CYS  30           HA       CYS  30  -2.682  -0.120  -5.862
  243   1HB   CYS  30           HBS      CYS  30  -3.847   1.670  -7.336
  244   2HB   CYS  30           HBR      CYS  30  -4.009   0.332  -8.511
  245    H    GLU  31           HN       GLU  31  -2.612  -2.205  -5.683
  246    HA   GLU  31           HA       GLU  31  -2.108  -3.920  -8.061
  247   1HB   GLU  31           HBR      GLU  31  -2.488  -4.931  -5.281
  248   2HB   GLU  31           HBS      GLU  31  -1.622  -5.564  -6.573
  249   1HG   GLU  31           HGR      GLU  31   0.073  -3.634  -6.421
  250   2HG   GLU  31           HGS      GLU  31  -0.782  -3.210  -4.914
  251    H    LYS  32           HN       LYS  32  -4.588  -2.347  -7.544
  252    HA   LYS  32           HA       LYS  32  -6.466  -4.661  -7.728
  253   1HB   LYS  32           HBS      LYS  32  -6.615  -2.858  -5.782
  254   2HB   LYS  32           HBR      LYS  32  -7.408  -1.899  -7.062
  255   1HG   LYS  32           HGR      LYS  32  -8.993  -3.184  -5.597
  256   2HG   LYS  32           HGS      LYS  32  -9.132  -3.558  -7.338
  257   1HD   LYS  32           HDS      LYS  32  -7.338  -5.259  -5.681
  258   2HD   LYS  32           HDR      LYS  32  -9.056  -5.407  -5.430
  259   1HE   LYS  32           HER      LYS  32  -8.723  -5.382  -8.207
  260   2HE   LYS  32           HES      LYS  32  -7.452  -6.459  -7.559
  261   1HZ   LYS  32           HZB      LYS  32 -10.118  -6.748  -6.483
  262   2HZ   LYS  32           HZC      LYS  32  -9.882  -7.274  -8.011
  263   3HZ   LYS  32           HZA      LYS  32  -8.986  -7.885  -6.789
  264    H    CYS  33           HN       CYS  33  -6.229  -1.190  -8.605
  265    HA   CYS  33           HA       CYS  33  -7.405  -1.905 -11.202
  266   1HB   CYS  33           HBS      CYS  33  -8.044   0.386 -11.402
  267   2HB   CYS  33           HBR      CYS  33  -8.536  -0.284  -9.824
  268    H    GLY  34           HN       GLY  34  -4.356  -1.174  -9.921
  269   1HA   GLY  34           HAR      GLY  34  -2.302  -1.037 -10.945
  270   2HA   GLY  34           HAS      GLY  34  -3.135  -1.348 -12.492
  271    H    LYS  35           HN       LYS  35  -3.812   1.331 -10.271
  272    HA   LYS  35           HA       LYS  35  -2.766   3.261 -12.285
  273   1HB   LYS  35           HBR      LYS  35  -4.960   3.349 -10.291
  274   2HB   LYS  35           HBS      LYS  35  -3.942   4.813 -10.400
  275   1HG   LYS  35           HGR      LYS  35  -5.428   3.489 -12.704
  276   2HG   LYS  35           HGS      LYS  35  -5.921   4.981 -11.852
  277   1HD   LYS  35           HDS      LYS  35  -4.129   6.215 -12.687
  278   2HD   LYS  35           HDR      LYS  35  -3.232   4.788 -13.134
  279   1HE   LYS  35           HER      LYS  35  -5.689   4.715 -14.543
  280   2HE   LYS  35           HES      LYS  35  -4.969   6.337 -14.745
  281   1HZ   LYS  35           HZC      LYS  35  -2.922   4.560 -15.020
  282   2HZ   LYS  35           HZA      LYS  35  -4.153   3.887 -15.856
  283   3HZ   LYS  35           HZB      LYS  35  -3.653   5.400 -16.214
  284    H    THR  36           HN       THR  36  -1.097   4.534 -11.806
  285    HA   THR  36           HA       THR  36   0.524   4.108  -9.446
  286    HB   THR  36           HB       THR  36   0.654   6.395 -11.494
  287    HG1  THR  36           HG1      THR  36   1.459   5.253 -12.639
  288   1HG2  THR  36           HMG      THR  36   2.682   5.347  -9.506
  289   2HG2  THR  36           HMG      THR  36   3.083   6.422 -10.870
  290   3HG2  THR  36           HMG      THR  36   1.974   6.981  -9.592
  291    H    LEU  37           HN       LEU  37   0.877   5.521  -7.752
  292    HA   LEU  37           HA       LEU  37  -1.549   7.111  -7.098
  293   1HB   LEU  37           HBR      LEU  37   0.368   5.739  -5.199
  294   2HB   LEU  37           HBS      LEU  37  -1.281   6.349  -4.874
  295    HG   LEU  37           HG       LEU  37  -0.847   4.116  -6.837
  296   1HD1  LEU  37           HMD      LEU  37  -0.256   4.049  -3.997
  297   2HD1  LEU  37           HMD      LEU  37  -1.625   2.982  -4.394
  298   3HD1  LEU  37           HMD      LEU  37  -0.066   2.779  -5.230
  299   1HD2  LEU  37           HMD      LEU  37  -3.007   5.604  -5.946
  300   2HD2  LEU  37           HMD      LEU  37  -3.083   4.022  -6.761
  301   3HD2  LEU  37           HMD      LEU  37  -3.111   4.110  -4.983
  302    H    THR  38           HN       THR  38  -1.312   8.934  -5.715
  303    HA   THR  38           HA       THR  38   1.234  10.414  -5.988
  304    HB   THR  38           HB       THR  38  -1.344  11.026  -7.539
  305    HG1  THR  38           HG1      THR  38   1.282  10.672  -8.146
  306   1HG2  THR  38           HMG      THR  38   0.976  12.799  -6.897
  307   2HG2  THR  38           HMG      THR  38   0.220  12.909  -8.507
  308   3HG2  THR  38           HMG      THR  38  -0.761  13.172  -7.042
  309    H    SER  39           HN       SER  39   1.288  12.370  -4.895
  310    HA   SER  39           HA       SER  39   0.681  14.078  -3.502
  311   1HB   SER  39           HBS      SER  39  -1.929  13.325  -4.693
  312   2HB   SER  39           HBR      SER  39  -1.981  14.222  -3.147
  313    HG   SER  39           HG       SER  39  -0.313  15.660  -4.142
  314    H    GLY  40           HN       GLY  40   0.867  11.091  -2.822
  315   1HA   GLY  40           HAR      GLY  40   0.361   9.535  -1.215
  316   2HA   GLY  40           HAS      GLY  40   0.052  10.889  -0.088
  317    H    GLY  41           HN       GLY  41  -1.463   9.914  -3.176
  318   1HA   GLY  41           HAR      GLY  41  -4.128  10.087  -2.037
  319   2HA   GLY  41           HAS      GLY  41  -3.703   9.670  -3.715
  320    H    HIS  42           HN       HIS  42  -1.844   7.721  -1.762
  321    HA   HIS  42           HA       HIS  42  -3.624   5.504  -2.386
  322   1HB   HIS  42           HBS      HIS  42  -1.648   4.095  -2.275
  323   2HB   HIS  42           HBR      HIS  42  -1.304   5.543  -3.265
  324    HD1  HIS  42           HD1      HIS  42   0.295   3.543  -0.758
  325    HD2  HIS  42           HD2      HIS  42  -0.080   7.639  -1.416
  326    HE1  HIS  42           HE1      HIS  42   2.032   4.650   0.670
  327    HE2  HIS  42           HE2      HIS  42   1.797   7.130   0.292
  328    H    ALA  43           HN       ALA  43  -2.780   3.463  -0.889
  329    HA   ALA  43           HA       ALA  43  -2.501   4.247   1.909
  330   1HB   ALA  43           HMB      ALA  43  -4.878   2.765   0.864
  331   2HB   ALA  43           HMB      ALA  43  -4.173   2.269   2.424
  332   3HB   ALA  43           HMB      ALA  43  -4.746   3.941   2.196
  333    H    GLU  44           HN       GLU  44  -2.521   1.812   3.079
  334    HA   GLU  44           HA       GLU  44  -1.046  -0.116   1.350
  335   1HB   GLU  44           HBS      GLU  44   0.327   1.547   2.615
  336   2HB   GLU  44           HBR      GLU  44  -0.199   0.900   4.072
  337   1HG   GLU  44           HGR      GLU  44   0.727  -1.410   2.752
  338   2HG   GLU  44           HGS      GLU  44   1.707  -0.106   2.029
  339    H    HIS  45           HN       HIS  45  -1.478  -2.183   1.761
  340    HA   HIS  45           HA       HIS  45  -2.373  -2.961   4.405
  341   1HB   HIS  45           HBS      HIS  45  -4.568  -2.918   3.209
  342   2HB   HIS  45           HBR      HIS  45  -3.882  -4.002   1.960
  343    HD1  HIS  45           HD1      HIS  45  -4.689  -4.067   5.722
  344    HD2  HIS  45           HD2      HIS  45  -3.635  -6.619   2.607
  345    HE1  HIS  45           HE1      HIS  45  -4.863  -6.397   6.629
  346    HE2  HIS  45           HE2      HIS  45  -4.287  -7.951   4.730
  347    H    GLU  46           HN       GLU  46  -1.147  -4.590   5.031
  348    HA   GLU  46           HA       GLU  46   0.790  -5.793   5.071
  349   1HB   GLU  46           HBS      GLU  46  -0.590  -6.679   2.826
  350   2HB   GLU  46           HBR      GLU  46   0.940  -6.387   2.207
  351   1HG   GLU  46           HGR      GLU  46   1.559  -8.493   3.066
  352   2HG   GLU  46           HGS      GLU  46   1.380  -7.715   4.661
  353    H    GLY  47           HN       GLY  47   2.654  -5.824   2.727
  354   1HA   GLY  47           HAR      GLY  47   3.418  -2.940   2.655
  355   2HA   GLY  47           HAS      GLY  47   4.503  -4.307   2.284
  356    H    LYS  48           HN       LYS  48   1.134  -4.142   1.255
  357    HA   LYS  48           HA       LYS  48   2.002  -3.457  -1.515
  358   1HB   LYS  48           HBS      LYS  48  -0.326  -4.608  -2.038
  359   2HB   LYS  48           HBR      LYS  48   1.199  -5.536  -1.984
  360   1HG   LYS  48           HGR      LYS  48   0.382  -5.710   0.624
  361   2HG   LYS  48           HGS      LYS  48  -1.186  -5.668  -0.233
  362   1HD   LYS  48           HDS      LYS  48   0.978  -7.507  -1.179
  363   2HD   LYS  48           HDR      LYS  48   0.076  -7.908   0.257
  364   1HE   LYS  48           HES      LYS  48  -1.546  -7.086  -2.071
  365   2HE   LYS  48           HER      LYS  48  -0.669  -8.638  -2.192
  366   1HZ   LYS  48           HZA      LYS  48  -2.226  -8.039   0.195
  367   2HZ   LYS  48           HZB      LYS  48  -2.992  -8.563  -1.150
  368   3HZ   LYS  48           HZC      LYS  48  -1.840  -9.488  -0.453
  369    HA   PRO  49           HA       PRO  49  -0.602   0.013  -0.391
  370   1HB   PRO  49           HBR      PRO  49   0.347   1.493  -2.411
  371   2HB   PRO  49           HBS      PRO  49   0.895   1.558  -0.864
  372   1HG   PRO  49           HGS      PRO  49   2.143   0.453  -3.087
  373   2HG   PRO  49           HGR      PRO  49   2.820   0.870  -1.621
  374   1HD   PRO  49           HDS      PRO  49   2.243  -1.645  -2.458
  375   2HD   PRO  49           HDR      PRO  49   2.723  -1.207  -0.938
  376    H    TYR  50           HN       TYR  50  -2.218   1.295  -1.513
  377    HA   TYR  50           HA       TYR  50  -2.954   0.373  -4.156
  378   1HB   TYR  50           HBR      TYR  50  -4.893  -0.095  -1.858
  379   2HB   TYR  50           HBS      TYR  50  -5.268  -0.249  -3.598
  380    HD1  TYR  50           HD1      TYR  50  -3.166  -1.706  -0.864
  381    HD2  TYR  50           HD2      TYR  50  -4.961  -2.289  -4.675
  382    HE1  TYR  50           HE1      TYR  50  -2.649  -4.105  -0.734
  383    HE2  TYR  50           HE2      TYR  50  -4.468  -4.691  -4.548
  384    HH   TYR  50           HH       TYR  50  -3.748  -6.178  -1.599
  385    H    CYS  51           HN       CYS  51  -5.276   1.494  -4.596
  386    HA   CYS  51           HA       CYS  51  -5.388   4.226  -4.115
  387   1HB   CYS  51           HBS      CYS  51  -7.646   2.233  -4.380
  388   2HB   CYS  51           HBR      CYS  51  -7.882   4.001  -4.294
  389    H    ASN  52           HN       ASN  52  -5.699   5.502  -2.471
  390    HA   ASN  52           HA       ASN  52  -6.519   4.690   0.151
  391   1HB   ASN  52           HBR      ASN  52  -5.253   6.761  -0.356
  392   2HB   ASN  52           HBS      ASN  52  -6.744   7.440  -1.069
  393   1HD2  ASN  52           HD2      ASN  52  -6.101   8.080   2.738
  394   2HD2  ASN  52           HD2      ASN  52  -4.936   7.887   1.470
  395    H    HIS  53           HN       HIS  53  -8.191   5.657  -2.782
  396    HA   HIS  53           HA       HIS  53 -10.353   3.921  -1.973
  397   1HB   HIS  53           HBS      HIS  53 -10.903   6.894  -2.298
  398   2HB   HIS  53           HBR      HIS  53 -12.131   5.657  -2.694
  399    HD1  HIS  53           HD1      HIS  53 -13.491   4.752  -0.728
  400    HD2  HIS  53           HD2      HIS  53 -10.166   6.967   0.447
  401    HE1  HIS  53           HE1      HIS  53 -13.774   5.205   1.720
  402    HE2  HIS  53           HE2      HIS  53 -11.767   6.551   2.437
  403    HA   PRO  54           HA       PRO  54 -12.253   3.643  -2.650
  404   1HB   PRO  54           HBS      PRO  54 -13.546   1.816  -4.110
  405   2HB   PRO  54           HBR      PRO  54 -14.081   3.348  -3.857
  406   1HG   PRO  54           HGR      PRO  54 -13.135   2.240  -6.204
  407   2HG   PRO  54           HGS      PRO  54 -13.826   3.742  -5.978
  408   1HD   PRO  54           HDS      PRO  54 -11.143   3.144  -6.303
  409   2HD   PRO  54           HDR      PRO  54 -11.846   4.640  -6.207
  410    H    CYS  55           HN       CYS  55  -9.956   2.025  -4.395
  411    HA   CYS  55           HA       CYS  55 -10.694  -0.579  -4.039
  412   1HB   CYS  55           HBS      CYS  55  -7.856   0.449  -4.293
  413   2HB   CYS  55           HBR      CYS  55  -8.415  -1.217  -4.614
  414    H    TYR  56           HN       TYR  56  -8.741   1.390  -1.844
  415    HA   TYR  56           HA       TYR  56  -8.111  -0.691   0.040
  416   1HB   TYR  56           HBR      TYR  56  -6.916   1.441   0.039
  417   2HB   TYR  56           HBS      TYR  56  -8.428   2.310   0.427
  418    HD1  TYR  56           HD1      TYR  56  -6.536  -0.641   1.831
  419    HD2  TYR  56           HD2      TYR  56  -8.554   3.021   2.608
  420    HE1  TYR  56           HE1      TYR  56  -6.011  -0.866   4.222
  421    HE2  TYR  56           HE2      TYR  56  -8.050   2.801   5.000
  422    HH   TYR  56           HH       TYR  56  -5.755   1.023   6.225
  423    H    SER  57           HN       SER  57 -10.624   1.869   0.032
  424    HA   SER  57           HA       SER  57 -11.693   0.955   2.513
  425   1HB   SER  57           HBS      SER  57 -12.336   3.092   0.549
  426   2HB   SER  57           HBR      SER  57 -13.638   2.581   1.663
  427    HG   SER  57           HG       SER  57 -12.091   2.767   3.425
  428    H    ALA  58           HN       ALA  58 -12.207   0.008  -0.736
  429    HA   ALA  58           HA       ALA  58 -14.826  -1.213  -0.326
  430   1HB   ALA  58           HMB      ALA  58 -12.741  -1.184  -2.473
  431   2HB   ALA  58           HMB      ALA  58 -13.942  -2.499  -2.446
  432   3HB   ALA  58           HMB      ALA  58 -14.479  -0.804  -2.549
  433    H    MET  59           HN       MET  59 -11.432  -2.334  -0.539
  434    HA   MET  59           HA       MET  59 -12.227  -5.068  -0.045
  435   1HB   MET  59           HBS      MET  59 -10.343  -4.246  -1.563
  436   2HB   MET  59           HBR      MET  59  -9.391  -4.024  -0.067
  437   1HG   MET  59           HGS      MET  59  -9.926  -6.453   0.497
  438   2HG   MET  59           HGR      MET  59 -10.601  -6.596  -1.144
  439   1HE   MET  59           HME      MET  59  -8.101  -7.999   0.415
  440   2HE   MET  59           HME      MET  59  -8.409  -8.612  -1.229
  441   3HE   MET  59           HME      MET  59  -6.769  -8.099  -0.762
  442    H    PHE  60           HN       PHE  60 -10.498  -2.543   1.770
  443    HA   PHE  60           HA       PHE  60 -11.094  -4.095   4.238
  444   1HB   PHE  60           HBR      PHE  60  -8.863  -2.047   4.138
  445   2HB   PHE  60           HBS      PHE  60  -9.193  -3.307   5.362
  446    HD1  PHE  60           HD1      PHE  60  -8.908  -5.654   4.786
  447    HD2  PHE  60           HD2      PHE  60  -7.402  -2.576   2.252
  448    HE1  PHE  60           HE1      PHE  60  -7.511  -7.312   3.637
  449    HE2  PHE  60           HE2      PHE  60  -5.985  -4.229   1.077
  450    HZ   PHE  60           HZ       PHE  60  -6.095  -6.614   1.743
  451    H    GLY  61           HN       GLY  61 -12.704  -3.211   5.260
  452   1HA   GLY  61           HAS      GLY  61 -13.962  -0.854   4.401
  453   2HA   GLY  61           HAR      GLY  61 -14.314  -1.697   5.934
  454    HA   PRO  62           HA       PRO  62 -11.734   2.356   6.150
  455   1HB   PRO  62           HBR      PRO  62 -13.922   4.064   6.271
  456   2HB   PRO  62           HBS      PRO  62 -12.675   4.101   5.205
  457   1HG   PRO  62           HGS      PRO  62 -15.173   3.414   4.614
  458   2HG   PRO  62           HGR      PRO  62 -13.846   3.122   3.646
  459   1HD   PRO  62           HDS      PRO  62 -15.290   1.304   5.228
  460   2HD   PRO  62           HDR      PRO  62 -14.264   0.986   3.971
  461    H    LYS  63           HN       LYS  63 -10.979   1.689   8.049
  462    HA   LYS  63           HA       LYS  63 -12.521   2.813  10.345
  463   1HB   LYS  63           HBR      LYS  63 -10.489   0.556  10.328
  464   2HB   LYS  63           HBS      LYS  63 -11.211   1.296  11.785
  465   1HG   LYS  63           HGR      LYS  63 -12.610  -0.333   9.635
  466   2HG   LYS  63           HGS      LYS  63 -12.381  -0.754  11.357
  467   1HD   LYS  63           HDS      LYS  63 -13.788   1.165  11.993
  468   2HD   LYS  63           HDR      LYS  63 -14.037   1.530  10.308
  469   1HE   LYS  63           HES      LYS  63 -14.679  -1.244  10.986
  470   2HE   LYS  63           HER      LYS  63 -15.663  -0.017  11.834
  471   1HZ   LYS  63           HZC      LYS  63 -16.112   0.957   9.664
  472   2HZ   LYS  63           HZA      LYS  63 -15.295  -0.251   8.927
  473   3HZ   LYS  63           HZB      LYS  63 -16.659  -0.580   9.765
  474    H    GLY  64           HN       GLY  64  -9.693   2.900   8.395
  475   1HA   GLY  64           HAS      GLY  64  -8.314   4.779   8.232
  476   2HA   GLY  64           HAR      GLY  64  -8.838   5.295   9.857
  477    H    PHE  65           HN       PHE  65  -6.418   5.705   9.872
  478    HA   PHE  65           HA       PHE  65  -5.291   3.488  11.441
  479   1HB   PHE  65           HBS      PHE  65  -3.009   3.820  10.614
  480   2HB   PHE  65           HBR      PHE  65  -4.087   3.260   9.304
  481    HD1  PHE  65           HD1      PHE  65  -5.327   5.272   8.122
  482    HD2  PHE  65           HD2      PHE  65  -1.456   5.491   9.890
  483    HE1  PHE  65           HE1      PHE  65  -4.819   7.221   6.720
  484    HE2  PHE  65           HE2      PHE  65  -0.919   7.455   8.487
  485    HZ   PHE  65           HZ       PHE  65  -2.639   8.351   6.943
  486    H    GLY  66           HN       GLY  66  -3.010   4.558  12.300
  487   1HA   GLY  66           HAS      GLY  66  -2.443   6.940  13.266
  488   2HA   GLY  66           HAR      GLY  66  -4.083   6.781  13.947
  489    H    ARG  67           HN       ARG  67  -1.748   7.038  15.494
  490    HA   ARG  67           HA       ARG  67  -0.631   6.132  17.280
  491   1HB   ARG  67           HBR      ARG  67  -2.744   5.169  18.024
  492   2HB   ARG  67           HBS      ARG  67  -2.519   3.782  16.919
  493   1HG   ARG  67           HGS      ARG  67  -1.984   3.219  19.258
  494   2HG   ARG  67           HGR      ARG  67  -0.570   3.053  18.179
  495   1HD   ARG  67           HDS      ARG  67  -0.344   5.637  18.986
  496   2HD   ARG  67           HDR      ARG  67  -1.058   4.871  20.432
  497    HE   ARG  67           HE       ARG  67   1.631   4.687  19.659
  498   1HH1  ARG  67           HH1      ARG  67  -0.983   2.658  20.876
  499   2HH1  ARG  67           HH1      ARG  67   0.092   1.420  21.433
  500   1HH2  ARG  67           HH2      ARG  67   2.996   2.990  20.285
  501   2HH2  ARG  67           HH2      ARG  67   2.343   1.608  21.100
  502    H    GLY  68           HN       GLY  68   1.185   6.120  15.911
  503   1HA   GLY  68           HAR      GLY  68   1.855   3.624  14.448
  504   2HA   GLY  68           HAS      GLY  68   2.759   5.161  14.397
  505    H    GLY  69           HN       GLY  69   2.456   2.087  15.843
  506   1HA   GLY  69           HAS      GLY  69   3.657   2.728  18.405
  507   2HA   GLY  69           HAR      GLY  69   3.220   1.109  17.798
  508    H    ALA  70           HN       ALA  70   5.284   0.534  18.821
  509    HA   ALA  70           HA       ALA  70   7.409  -0.285  18.595
  510   1HB   ALA  70           HMB      ALA  70   6.357  -1.197  16.576
  511   2HB   ALA  70           HMB      ALA  70   6.846   0.253  15.666
  512   3HB   ALA  70           HMB      ALA  70   8.085  -0.840  16.330
  513    H    GLU  71           HN       GLU  71   8.579   1.247  19.659
  514    HA   GLU  71           HA       GLU  71   9.688   3.641  18.475
  515   1HB   GLU  71           HBS      GLU  71   9.472   2.564  20.881
  516   2HB   GLU  71           HBR      GLU  71  11.009   1.964  20.577
  517   1HG   GLU  71           HGR      GLU  71  11.147   4.747  19.839
  518   2HG   GLU  71           HGS      GLU  71  10.064   4.648  21.254
  519    H    SER  72           HN       SER  72  10.192   0.247  18.126
  520    HA   SER  72           HA       SER  72  11.461  -0.916  16.614
  521   1HB   SER  72           HBR      SER  72  13.005   1.298  15.480
  522   2HB   SER  72           HBS      SER  72  12.011   0.038  14.694
  523    HG   SER  72           HG       SER  72  11.557   2.649  15.017
  524    H    HIS  73           HN       HIS  73  12.206  -0.220  19.311
  525    HA   HIS  73           HA       HIS  73  14.921   0.318  19.599
  526   1HB   HIS  73           HBR      HIS  73  12.890  -1.064  21.275
  527   2HB   HIS  73           HBS      HIS  73  14.587  -1.525  21.586
  528    HD1  HIS  73           HD1      HIS  73  14.209  -0.227  23.975
  529    HD2  HIS  73           HD2      HIS  73  14.202   2.128  20.541
  530    HE1  HIS  73           HE1      HIS  73  14.676   2.117  24.726
  531    HE2  HIS  73           HE2      HIS  73  14.695   3.544  22.649
  532    H    THR  74           HN       THR  74  16.300  -0.562  18.185
  533    HA   THR  74           HA       THR  74  16.636  -3.519  18.317
  534    HB   THR  74           HB       THR  74  18.037  -1.796  16.237
  535    HG1  THR  74           HG1      THR  74  16.487  -2.117  14.977
  536   1HG2  THR  74           HMG      THR  74  18.714  -4.141  16.424
  537   2HG2  THR  74           HMG      THR  74  17.026  -4.651  16.162
  538   3HG2  THR  74           HMG      THR  74  17.915  -3.814  14.864
  539    H    PHE  75           HN       PHE  75  17.377  -1.346  20.243
  540    HA   PHE  75           HA       PHE  75  20.318  -1.759  20.307
  541   1HB   PHE  75           HBR      PHE  75  18.907  -0.257  22.492
  542   2HB   PHE  75           HBS      PHE  75  20.547  -0.042  21.814
  543    HD1  PHE  75           HD2      PHE  75  20.691   1.048  19.424
  544    HD2  PHE  75           HD1      PHE  75  17.149   0.968  21.791
  545    HE1  PHE  75           HE2      PHE  75  19.780   2.936  18.112
  546    HE2  PHE  75           HE1      PHE  75  16.224   2.842  20.507
  547    HZ   PHE  75           HZ       PHE  75  17.562   3.868  18.707
  548    H    LYS  76           HN       LYS  76  21.289  -2.739  22.076
  549    HA   LYS  76           HA       LYS  76  20.088  -5.178  22.715
  550   1HB   LYS  76           HBS      LYS  76  21.950  -5.560  24.232
  551   2HB   LYS  76           HBR      LYS  76  22.508  -4.849  22.690
  552   1HG   LYS  76           HGR      LYS  76  21.950  -3.006  24.993
  553   2HG   LYS  76           HGS      LYS  76  23.430  -4.007  25.044
  554   1HD   LYS  76           HDS      LYS  76  22.649  -1.961  22.973
  555   2HD   LYS  76           HDR      LYS  76  23.943  -1.876  24.137
  556   1HE   LYS  76           HES      LYS  76  24.239  -4.266  22.571
  557   2HE   LYS  76           HER      LYS  76  24.069  -2.831  21.522
  558   1HZ   LYS  76           HZB      LYS  76  25.793  -1.810  22.966
  559   2HZ   LYS  76           HZC      LYS  76  26.052  -3.277  23.635
  560   3HZ   LYS  76           HZA      LYS  76  26.319  -3.049  22.041
   
  No H/Q in entry =         560
  Start of MODEL   35
    1    H    PRO   1           HN       PRO   1  15.455   2.940   5.617
    2    HA   PRO   1           HA       PRO   1  13.612   3.246   4.237
    3   1HB   PRO   1           HBR      PRO   1  14.573   4.046   1.858
    4   2HB   PRO   1           HBS      PRO   1  13.802   5.013   2.939
    5   1HG   PRO   1           HGR      PRO   1  16.532   4.926   2.342
    6   2HG   PRO   1           HGS      PRO   1  15.649   6.144   3.064
    7   1HD   PRO   1           HDR      PRO   1  17.315   4.468   4.343
    8   2HD   PRO   1           HDS      PRO   1  16.194   5.440   5.071
    9    H    LYS   2           HN       LYS   2  12.721   1.468   3.630
   10    HA   LYS   2           HA       LYS   2  14.068  -0.035   1.506
   11   1HB   LYS   2           HBS      LYS   2  13.746  -2.203   2.551
   12   2HB   LYS   2           HBR      LYS   2  14.866  -1.192   3.509
   13   1HG   LYS   2           HGR      LYS   2  13.288  -0.869   5.230
   14   2HG   LYS   2           HGS      LYS   2  11.923  -1.383   4.196
   15   1HD   LYS   2           HDS      LYS   2  14.072  -3.111   5.410
   16   2HD   LYS   2           HDR      LYS   2  12.377  -3.059   5.813
   17   1HE   LYS   2           HES      LYS   2  12.141  -4.789   4.446
   18   2HE   LYS   2           HER      LYS   2  12.274  -3.578   3.139
   19   1HZ   LYS   2           HZB      LYS   2  14.552  -5.032   4.294
   20   2HZ   LYS   2           HZC      LYS   2  13.801  -5.446   2.905
   21   3HZ   LYS   2           HZA      LYS   2  14.589  -4.020   3.012
   22    H    CYS   3           HN       CYS   3  12.655  -0.929   0.120
   23    HA   CYS   3           HA       CYS   3  10.064   0.170   0.256
   24   1HB   CYS   3           HBS      CYS   3  11.574   0.017  -1.723
   25   2HB   CYS   3           HBR      CYS   3  11.198  -1.728  -1.802
   26    HA   PRO   4           HA       PRO   4   7.825  -3.392   1.773
   27   1HB   PRO   4           HBR      PRO   4   5.484  -2.008   1.557
   28   2HB   PRO   4           HBS      PRO   4   6.307  -2.314   2.944
   29   1HG   PRO   4           HGS      PRO   4   5.967   0.093   1.827
   30   2HG   PRO   4           HGR      PRO   4   7.018  -0.258   3.075
   31   1HD   PRO   4           HDS      PRO   4   7.592   0.075   0.323
   32   2HD   PRO   4           HDR      PRO   4   8.591   0.321   1.618
   33    H    LYS   5           HN       LYS   5   7.622  -1.722  -1.120
   34    HA   LYS   5           HA       LYS   5   5.407  -3.250  -2.256
   35   1HB   LYS   5           HBR      LYS   5   6.605  -0.829  -2.861
   36   2HB   LYS   5           HBS      LYS   5   7.213  -1.919  -4.141
   37   1HG   LYS   5           HGR      LYS   5   4.361  -2.304  -3.725
   38   2HG   LYS   5           HGS      LYS   5   4.730  -0.587  -4.055
   39   1HD   LYS   5           HDR      LYS   5   4.202  -1.860  -6.062
   40   2HD   LYS   5           HDS      LYS   5   5.757  -1.076  -6.110
   41   1HE   LYS   5           HES      LYS   5   6.837  -3.023  -6.373
   42   2HE   LYS   5           HER      LYS   5   5.898  -3.789  -5.059
   43   1HZ   LYS   5           HZB      LYS   5   4.295  -3.354  -7.321
   44   2HZ   LYS   5           HZC      LYS   5   5.619  -4.214  -7.740
   45   3HZ   LYS   5           HZA      LYS   5   4.635  -4.756  -6.554
   46    H    CYS   6           HN       CYS   6   8.831  -2.850  -3.254
   47    HA   CYS   6           HA       CYS   6   8.520  -5.369  -4.757
   48   1HB   CYS   6           HBS      CYS   6  10.474  -4.659  -6.020
   49   2HB   CYS   6           HBR      CYS   6   9.154  -3.461  -6.048
   50    H    ASP   7           HN       ASP   7   9.995  -4.178  -1.921
   51    HA   ASP   7           HA       ASP   7  11.504  -5.000  -0.447
   52   1HB   ASP   7           HBR      ASP   7  10.472  -7.347  -1.722
   53   2HB   ASP   7           HBS      ASP   7  12.210  -7.555  -1.360
   54    H    LYS   8           HN       LYS   8  12.445  -3.278  -2.160
   55    HA   LYS   8           HA       LYS   8  15.239  -4.288  -2.418
   56   1HB   LYS   8           HBR      LYS   8  13.811  -2.854  -4.347
   57   2HB   LYS   8           HBS      LYS   8  14.807  -1.627  -3.516
   58   1HG   LYS   8           HGR      LYS   8  16.221  -2.312  -5.224
   59   2HG   LYS   8           HGS      LYS   8  16.749  -3.355  -3.872
   60   1HD   LYS   8           HDR      LYS   8  16.638  -4.688  -5.792
   61   2HD   LYS   8           HDS      LYS   8  15.355  -5.175  -4.716
   62   1HE   LYS   8           HER      LYS   8  14.676  -5.120  -7.069
   63   2HE   LYS   8           HES      LYS   8  13.720  -3.987  -6.074
   64   1HZ   LYS   8           HZB      LYS   8  15.878  -2.584  -6.979
   65   2HZ   LYS   8           HZC      LYS   8  15.375  -3.440  -8.275
   66   3HZ   LYS   8           HZA      LYS   8  14.335  -2.449  -7.497
   67    H    GLU   9           HN       GLU   9  16.565  -1.943  -2.234
   68    HA   GLU   9           HA       GLU   9  15.537  -0.592   0.229
   69   1HB   GLU   9           HBS      GLU   9  17.994   0.359  -0.064
   70   2HB   GLU   9           HBR      GLU   9  17.565  -0.827   1.032
   71   1HG   GLU   9           HGR      GLU   9  19.468  -1.855  -0.020
   72   2HG   GLU   9           HGS      GLU   9  18.130  -2.451  -1.039
   73    H    VAL  10           HN       VAL  10  15.507   1.639   0.252
   74    HA   VAL  10           HA       VAL  10  15.037   2.657  -2.486
   75    HB   VAL  10           HB       VAL  10  13.724   3.202   0.181
   76   1HG1  VAL  10           HMG      VAL  10  13.946   5.303  -1.242
   77   2HG1  VAL  10           HMG      VAL  10  12.855   4.506  -2.401
   78   3HG1  VAL  10           HMG      VAL  10  12.305   4.832  -0.740
   79   1HG2  VAL  10           HMG      VAL  10  13.280   1.205  -1.606
   80   2HG2  VAL  10           HMG      VAL  10  12.081   1.845  -0.459
   81   3HG2  VAL  10           HMG      VAL  10  12.098   2.432  -2.138
   82    H    TYR  11           HN       TYR  11  16.298   4.119  -3.283
   83    HA   TYR  11           HA       TYR  11  18.268   5.487  -1.546
   84   1HB   TYR  11           HBS      TYR  11  18.860   4.341  -3.781
   85   2HB   TYR  11           HBR      TYR  11  18.047   5.731  -4.554
   86    HD1  TYR  11           HD1      TYR  11  20.187   5.783  -1.483
   87    HD2  TYR  11           HD2      TYR  11  19.848   6.829  -5.592
   88    HE1  TYR  11           HE1      TYR  11  22.280   7.065  -1.324
   89    HE2  TYR  11           HE2      TYR  11  21.948   8.092  -5.452
   90    HH   TYR  11           HH       TYR  11  24.186   7.526  -3.559
   91    H    PHE  12           HN       PHE  12  18.577   7.810  -1.905
   92    HA   PHE  12           HA       PHE  12  16.371   8.884  -0.758
   93   1HB   PHE  12           HBR      PHE  12  18.775  10.257  -1.976
   94   2HB   PHE  12           HBS      PHE  12  17.432  11.215  -1.288
   95    HD1  PHE  12           HD2      PHE  12  18.778   7.938   0.008
   96    HD2  PHE  12           HD1      PHE  12  18.362  12.145   0.544
   97    HE1  PHE  12           HE2      PHE  12  19.745   7.738   2.275
   98    HE2  PHE  12           HE1      PHE  12  19.324  11.974   2.795
   99    HZ   PHE  12           HZ       PHE  12  20.064   9.780   3.644
  100    H    ALA  13           HN       ALA  13  17.542  10.312  -3.822
  101    HA   ALA  13           HA       ALA  13  15.196  11.530  -4.390
  102   1HB   ALA  13           HMB      ALA  13  17.465  10.613  -6.162
  103   2HB   ALA  13           HMB      ALA  13  16.120  11.587  -6.807
  104   3HB   ALA  13           HMB      ALA  13  17.151  12.240  -5.509
  105    H    GLU  14           HN       GLU  14  15.614   8.239  -4.575
  106    HA   GLU  14           HA       GLU  14  13.284   7.944  -6.428
  107   1HB   GLU  14           HBR      GLU  14  13.945   5.617  -6.597
  108   2HB   GLU  14           HBS      GLU  14  15.073   6.711  -7.185
  109   1HG   GLU  14           HGR      GLU  14  16.572   6.507  -5.234
  110   2HG   GLU  14           HGS      GLU  14  15.329   5.491  -4.453
  111    H    ARG  15           HN       ARG  15  13.205   8.976  -3.731
  112    HA   ARG  15           HA       ARG  15  11.852   6.761  -2.329
  113   1HB   ARG  15           HBR      ARG  15  12.070   8.021  -0.341
  114   2HB   ARG  15           HBS      ARG  15  13.628   8.128  -1.204
  115   1HG   ARG  15           HGR      ARG  15  12.740  10.399  -2.080
  116   2HG   ARG  15           HGS      ARG  15  11.545  10.263  -0.759
  117   1HD   ARG  15           HDS      ARG  15  13.381   9.984   0.840
  118   2HD   ARG  15           HDR      ARG  15  14.552  10.193  -0.493
  119    HE   ARG  15           HE       ARG  15  13.256  12.466  -0.758
  120   1HH1  ARG  15           HH1      ARG  15  14.397  10.888   2.182
  121   2HH1  ARG  15           HH1      ARG  15  14.373  12.352   3.105
  122   1HH2  ARG  15           HH2      ARG  15  13.107  14.332   0.519
  123   2HH2  ARG  15           HH2      ARG  15  13.638  14.300   2.168
  124    H    VAL  16           HN       VAL  16   9.802   6.826  -1.555
  125    HA   VAL  16           HA       VAL  16   8.471   9.393  -1.452
  126    HB   VAL  16           HB       VAL  16   6.350   8.725  -2.325
  127   1HG1  VAL  16           HMG      VAL  16   7.996   9.650  -3.919
  128   2HG1  VAL  16           HMG      VAL  16   8.450   7.991  -4.381
  129   3HG1  VAL  16           HMG      VAL  16   6.798   8.581  -4.687
  130   1HG2  VAL  16           HMG      VAL  16   7.588   6.023  -2.890
  131   2HG2  VAL  16           HMG      VAL  16   6.264   6.400  -1.763
  132   3HG2  VAL  16           HMG      VAL  16   6.017   6.574  -3.517
  133    H    THR  17           HN       THR  17   7.152   9.583   0.308
  134    HA   THR  17           HA       THR  17   7.634   7.416   2.287
  135    HB   THR  17           HB       THR  17   7.368  10.411   2.890
  136    HG1  THR  17           HG1      THR  17   9.385  10.449   2.942
  137   1HG2  THR  17           HMG      THR  17   7.718   8.063   4.531
  138   2HG2  THR  17           HMG      THR  17   9.115   9.158   4.695
  139   3HG2  THR  17           HMG      THR  17   7.467   9.762   5.010
  140    H    SER  18           HN       SER  18   6.080   6.762   3.649
  141    HA   SER  18           HA       SER  18   3.517   7.833   4.009
  142   1HB   SER  18           HBR      SER  18   3.350   7.551   1.528
  143   2HB   SER  18           HBS      SER  18   3.519   5.790   1.777
  144    HG   SER  18           HG       SER  18   1.393   7.569   2.126
  145    H    LEU  19           HN       LEU  19   2.360   6.649   5.414
  146    HA   LEU  19           HA       LEU  19   2.135   5.247   7.204
  147   1HB   LEU  19           HBR      LEU  19   3.188   3.307   5.124
  148   2HB   LEU  19           HBS      LEU  19   2.466   2.840   6.691
  149    HG   LEU  19           HG       LEU  19   0.808   2.505   5.045
  150   1HD1  LEU  19           HMD      LEU  19   0.092   3.698   7.128
  151   2HD1  LEU  19           HMD      LEU  19   0.228   5.234   6.236
  152   3HD1  LEU  19           HMD      LEU  19  -0.949   4.002   5.714
  153   1HD2  LEU  19           HMD      LEU  19   2.165   4.275   3.554
  154   2HD2  LEU  19           HMD      LEU  19   0.477   3.817   3.215
  155   3HD2  LEU  19           HMD      LEU  19   0.832   5.328   4.092
  156    H    GLY  20           HN       GLY  20   4.645   6.741   6.788
  157   1HA   GLY  20           HAR      GLY  20   6.449   7.133   8.156
  158   2HA   GLY  20           HAS      GLY  20   5.794   5.859   9.217
  159    H    LYS  21           HN       LYS  21   6.381   4.917   5.961
  160    HA   LYS  21           HA       LYS  21   9.233   4.459   6.332
  161   1HB   LYS  21           HBR      LYS  21   7.451   2.265   6.658
  162   2HB   LYS  21           HBS      LYS  21   8.226   2.092   5.058
  163   1HG   LYS  21           HGR      LYS  21  10.445   2.543   6.352
  164   2HG   LYS  21           HGS      LYS  21   9.489   2.123   7.802
  165   1HD   LYS  21           HDR      LYS  21   9.027  -0.026   7.029
  166   2HD   LYS  21           HDS      LYS  21   9.559   0.315   5.404
  167   1HE   LYS  21           HER      LYS  21  11.238   0.067   7.896
  168   2HE   LYS  21           HES      LYS  21  11.211  -1.038   6.492
  169   1HZ   LYS  21           HZB      LYS  21  12.071   1.772   6.384
  170   2HZ   LYS  21           HZC      LYS  21  13.087   0.499   6.498
  171   3HZ   LYS  21           HZA      LYS  21  12.152   0.680   5.171
  172    H    ASP  22           HN       ASP  22  10.278   3.969   4.292
  173    HA   ASP  22           HA       ASP  22   9.035   5.690   2.335
  174   1HB   ASP  22           HBS      ASP  22  11.797   4.539   2.126
  175   2HB   ASP  22           HBR      ASP  22  11.151   6.077   1.482
  176    H    TRP  23           HN       TRP  23   9.396   5.291  -0.014
  177    HA   TRP  23           HA       TRP  23   9.373   2.426  -0.804
  178   1HB   TRP  23           HBR      TRP  23   7.427   4.553  -1.707
  179   2HB   TRP  23           HBS      TRP  23   7.384   2.797  -2.074
  180    HD1  TRP  23           HD1      TRP  23   6.828   5.288   0.829
  181    HE1  TRP  23           HE1      TRP  23   4.993   4.337   2.358
  182    HE3  TRP  23           HE3      TRP  23   6.190   0.799  -1.475
  183    HZ2  TRP  23           HZ2      TRP  23   3.412   2.024   2.470
  184    HZ3  TRP  23           HZ3      TRP  23   4.513  -0.750  -0.583
  185    HH2  TRP  23           HH2      TRP  23   3.083  -0.121   1.290
  186    H    HIS  24           HN       ZHI  24   9.261   2.361  -3.315
  187    HA   HIS  24           HA       ZHI  24  11.080   4.360  -4.462
  188   1HB   HIS  24           HBS      ZHI  24   9.872   1.864  -5.736
  189   2HB   HIS  24           HBR      ZHI  24  11.087   2.944  -6.481
  190    HD2  HIS  24           HD2      ZHI  24  13.252   3.225  -4.201
  191    HE1  HIS  24           HE1      ZHI  24  12.822  -0.805  -3.177
  192    HE2  HIS  24           HE2      ZHI  24  14.429   1.136  -3.228
  193    H    ARG  25           HN       ARG  25  10.659   5.569  -6.301
  194    HA   ARG  25           HA       ARG  25   8.249   7.007  -6.026
  195   1HB   ARG  25           HBR      ARG  25  10.310   8.022  -6.885
  196   2HB   ARG  25           HBS      ARG  25  10.209   7.001  -8.349
  197   1HG   ARG  25           HGR      ARG  25   7.969   8.119  -8.805
  198   2HG   ARG  25           HGS      ARG  25   8.397   9.280  -7.515
  199   1HD   ARG  25           HDR      ARG  25   9.024  10.248  -9.576
  200   2HD   ARG  25           HDS      ARG  25  10.519   9.727  -8.751
  201    HE   ARG  25           HE       ARG  25   9.367   7.853 -10.699
  202   1HH1  ARG  25           HH1      ARG  25  11.918  10.124  -9.828
  203   2HH1  ARG  25           HH1      ARG  25  12.871   9.761 -11.229
  204   1HH2  ARG  25           HH2      ARG  25  10.579   7.493 -12.580
  205   2HH2  ARG  25           HH2      ARG  25  12.113   8.272 -12.787
  206    HA   PRO  26           HA       PRO  26   6.927   4.693 -10.056
  207   1HB   PRO  26           HBS      PRO  26   8.230   2.365 -10.431
  208   2HB   PRO  26           HBR      PRO  26   8.434   3.719 -11.338
  209   1HG   PRO  26           HGR      PRO  26  10.133   2.643  -9.390
  210   2HG   PRO  26           HGS      PRO  26  10.485   3.735 -10.601
  211   1HD   PRO  26           HDS      PRO  26  10.224   4.346  -8.002
  212   2HD   PRO  26           HDR      PRO  26  10.211   5.438  -9.242
  213    H    CYS  27           HN       CYS  27   7.892   2.895  -7.307
  214    HA   CYS  27           HA       CYS  27   6.257   0.681  -7.784
  215   1HB   CYS  27           HBS      CYS  27   7.776   1.744  -5.454
  216   2HB   CYS  27           HBR      CYS  27   6.550   0.481  -5.143
  217    H    LEU  28           HN       LEU  28   5.681   3.486  -5.648
  218    HA   LEU  28           HA       LEU  28   3.547   2.368  -4.262
  219   1HB   LEU  28           HBR      LEU  28   5.038   4.387  -3.790
  220   2HB   LEU  28           HBS      LEU  28   3.895   5.323  -4.796
  221    HG   LEU  28           HG       LEU  28   2.170   4.201  -3.053
  222   1HD1  LEU  28           HMD      LEU  28   4.772   4.620  -1.550
  223   2HD1  LEU  28           HMD      LEU  28   3.171   4.415  -0.798
  224   3HD1  LEU  28           HMD      LEU  28   3.886   3.087  -1.744
  225   1HD2  LEU  28           HMD      LEU  28   3.541   6.725  -3.469
  226   2HD2  LEU  28           HMD      LEU  28   1.850   6.408  -3.005
  227   3HD2  LEU  28           HMD      LEU  28   3.115   6.497  -1.753
  228    H    LYS  29           HN       LYS  29   2.083   1.356  -5.571
  229    HA   LYS  29           HA       LYS  29   0.330   3.047  -7.273
  230   1HB   LYS  29           HBR      LYS  29   2.425   1.903  -8.442
  231   2HB   LYS  29           HBS      LYS  29   1.363   0.467  -8.381
  232   1HG   LYS  29           HGR      LYS  29  -0.414   2.114  -9.426
  233   2HG   LYS  29           HGS      LYS  29   1.036   3.037  -9.915
  234   1HD   LYS  29           HDR      LYS  29   0.581   0.129 -10.527
  235   2HD   LYS  29           HDS      LYS  29   0.126   1.418 -11.608
  236   1HE   LYS  29           HES      LYS  29   2.854   0.483 -10.780
  237   2HE   LYS  29           HER      LYS  29   2.180   0.744 -12.414
  238   1HZ   LYS  29           HZA      LYS  29   2.204   3.108 -11.935
  239   2HZ   LYS  29           HZB      LYS  29   2.897   2.838 -10.480
  240   3HZ   LYS  29           HZC      LYS  29   3.705   2.469 -11.851
  241    H    CYS  30           HN       CYS  30  -1.699   2.286  -7.522
  242    HA   CYS  30           HA       CYS  30  -2.765   0.134  -5.919
  243   1HB   CYS  30           HBS      CYS  30  -3.957   2.192  -6.942
  244   2HB   CYS  30           HBR      CYS  30  -4.054   1.183  -8.413
  245    H    GLU  31           HN       GLU  31  -2.480  -1.925  -6.235
  246    HA   GLU  31           HA       GLU  31  -1.993  -2.975  -8.986
  247   1HB   GLU  31           HBS      GLU  31  -1.350  -4.945  -7.922
  248   2HB   GLU  31           HBR      GLU  31  -0.413  -3.688  -7.325
  249   1HG   GLU  31           HGR      GLU  31  -0.975  -4.503  -5.180
  250   2HG   GLU  31           HGS      GLU  31  -2.578  -3.813  -5.549
  251    H    LYS  32           HN       LYS  32  -4.510  -1.825  -7.884
  252    HA   LYS  32           HA       LYS  32  -6.243  -4.218  -8.301
  253   1HB   LYS  32           HBS      LYS  32  -6.522  -2.644  -6.193
  254   2HB   LYS  32           HBR      LYS  32  -7.336  -1.584  -7.378
  255   1HG   LYS  32           HGR      LYS  32  -8.092  -4.492  -6.909
  256   2HG   LYS  32           HGS      LYS  32  -8.867  -3.115  -6.075
  257   1HD   LYS  32           HDS      LYS  32 -10.324  -3.149  -7.733
  258   2HD   LYS  32           HDR      LYS  32  -9.087  -2.280  -8.598
  259   1HE   LYS  32           HES      LYS  32  -8.229  -4.651  -9.273
  260   2HE   LYS  32           HER      LYS  32  -9.894  -5.133  -8.841
  261   1HZ   LYS  32           HZB      LYS  32 -10.527  -3.199 -10.341
  262   2HZ   LYS  32           HZC      LYS  32  -9.013  -3.312 -10.943
  263   3HZ   LYS  32           HZA      LYS  32 -10.029  -4.586 -11.046
  264    H    CYS  33           HN       CYS  33  -6.248  -0.668  -8.825
  265    HA   CYS  33           HA       CYS  33  -7.475  -1.186 -11.435
  266   1HB   CYS  33           HBS      CYS  33  -8.225   1.085 -11.380
  267   2HB   CYS  33           HBR      CYS  33  -8.617   0.240  -9.859
  268    H    GLY  34           HN       GLY  34  -4.424  -0.319 -10.182
  269   1HA   GLY  34           HAR      GLY  34  -2.436   0.176 -11.244
  270   2HA   GLY  34           HAS      GLY  34  -3.301   0.093 -12.802
  271    H    LYS  35           HN       LYS  35  -3.917   2.171  -9.962
  272    HA   LYS  35           HA       LYS  35  -3.287   4.574 -11.604
  273   1HB   LYS  35           HBR      LYS  35  -5.502   4.378 -10.308
  274   2HB   LYS  35           HBS      LYS  35  -4.505   4.591  -8.841
  275   1HG   LYS  35           HGS      LYS  35  -5.565   6.703  -9.718
  276   2HG   LYS  35           HGR      LYS  35  -3.788   6.768  -9.548
  277   1HD   LYS  35           HDR      LYS  35  -3.449   6.841 -11.787
  278   2HD   LYS  35           HDS      LYS  35  -4.868   5.908 -12.178
  279   1HE   LYS  35           HER      LYS  35  -5.776   7.826 -12.819
  280   2HE   LYS  35           HES      LYS  35  -5.910   8.238 -11.086
  281   1HZ   LYS  35           HZB      LYS  35  -3.510   8.810 -12.673
  282   2HZ   LYS  35           HZC      LYS  35  -4.739   9.877 -12.522
  283   3HZ   LYS  35           HZA      LYS  35  -3.904   9.398 -11.201
  284    H    THR  36           HN       THR  36  -1.410   5.506 -11.322
  285    HA   THR  36           HA       THR  36   0.487   4.877  -9.251
  286    HB   THR  36           HB       THR  36   0.352   7.436 -10.938
  287    HG1  THR  36           HG1      THR  36   1.535   5.016 -11.298
  288   1HG2  THR  36           HMG      THR  36   2.217   6.532  -8.985
  289   2HG2  THR  36           HMG      THR  36   3.008   6.483 -10.581
  290   3HG2  THR  36           HMG      THR  36   2.267   7.996 -10.000
  291    H    LEU  37           HN       LEU  37   0.921   5.877  -7.368
  292    HA   LEU  37           HA       LEU  37  -1.449   7.227  -6.245
  293   1HB   LEU  37           HBR      LEU  37   0.835   5.683  -4.977
  294   2HB   LEU  37           HBS      LEU  37  -0.616   6.300  -4.134
  295    HG   LEU  37           HG       LEU  37  -0.660   4.226  -6.341
  296   1HD1  LEU  37           HMD      LEU  37  -0.553   4.005  -3.331
  297   2HD1  LEU  37           HMD      LEU  37  -1.313   2.744  -4.336
  298   3HD1  LEU  37           HMD      LEU  37   0.410   3.141  -4.556
  299   1HD2  LEU  37           HMD      LEU  37  -2.624   5.905  -5.345
  300   2HD2  LEU  37           HMD      LEU  37  -2.891   4.360  -6.194
  301   3HD2  LEU  37           HMD      LEU  37  -2.856   4.404  -4.413
  302    H    THR  38           HN       THR  38  -1.437   9.249  -5.650
  303    HA   THR  38           HA       THR  38   0.944  10.890  -5.516
  304    HB   THR  38           HB       THR  38  -1.419  11.742  -6.056
  305    HG1  THR  38           HG1      THR  38   0.126  12.855  -5.780
  306   1HG2  THR  38           HMG      THR  38  -1.933  10.830  -3.352
  307   2HG2  THR  38           HMG      THR  38  -2.252  12.574  -3.522
  308   3HG2  THR  38           HMG      THR  38  -3.067  11.410  -4.599
  309    H    SER  39           HN       SER  39   0.652  12.361  -3.265
  310    HA   SER  39           HA       SER  39   1.842  10.427  -1.365
  311   1HB   SER  39           HBR      SER  39   3.091  12.444  -2.476
  312   2HB   SER  39           HBS      SER  39   2.266  13.389  -1.203
  313    HG   SER  39           HG       SER  39   2.994  11.619   0.294
  314    H    GLY  40           HN       GLY  40  -1.080  11.345  -1.666
  315   1HA   GLY  40           HAR      GLY  40  -1.659  10.602   0.922
  316   2HA   GLY  40           HAS      GLY  40  -1.885  12.375   0.919
  317    H    GLY  41           HN       GLY  41  -2.479   9.836  -1.537
  318   1HA   GLY  41           HAR      GLY  41  -5.409  10.056  -1.003
  319   2HA   GLY  41           HAS      GLY  41  -4.789  10.203  -2.668
  320    H    HIS  42           HN       HIS  42  -2.739   8.114  -1.091
  321    HA   HIS  42           HA       HIS  42  -4.242   5.775  -2.042
  322   1HB   HIS  42           HBS      HIS  42  -2.156   4.656  -2.271
  323   2HB   HIS  42           HBR      HIS  42  -1.961   6.301  -2.938
  324    HD1  HIS  42           HD1      HIS  42  -0.569   4.002  -0.327
  325    HD2  HIS  42           HD2      HIS  42  -0.374   8.031  -1.364
  326    HE1  HIS  42           HE1      HIS  42   1.454   4.931   0.822
  327    HE2  HIS  42           HE2      HIS  42   1.590   7.364   0.183
  328    H    ALA  43           HN       ALA  43  -2.911   3.750  -0.833
  329    HA   ALA  43           HA       ALA  43  -2.758   4.095   2.019
  330   1HB   ALA  43           HMB      ALA  43  -5.272   3.258   0.985
  331   2HB   ALA  43           HMB      ALA  43  -4.499   1.850   1.757
  332   3HB   ALA  43           HMB      ALA  43  -4.736   3.355   2.681
  333    H    GLU  44           HN       GLU  44  -2.734   1.527   2.857
  334    HA   GLU  44           HA       GLU  44  -1.683  -0.342   0.877
  335   1HB   GLU  44           HBR      GLU  44   0.488  -0.488   1.677
  336   2HB   GLU  44           HBS      GLU  44   0.160   1.137   1.422
  337   1HG   GLU  44           HGR      GLU  44   1.157   1.452   3.496
  338   2HG   GLU  44           HGS      GLU  44  -0.548   1.185   3.951
  339    H    HIS  45           HN       HIS  45  -1.942  -2.399   1.521
  340    HA   HIS  45           HA       HIS  45  -2.644  -2.944   4.359
  341   1HB   HIS  45           HBS      HIS  45  -4.283  -3.952   2.774
  342   2HB   HIS  45           HBR      HIS  45  -2.943  -4.819   1.969
  343    HD1  HIS  45           HD1      HIS  45  -4.957  -4.823   5.202
  344    HD2  HIS  45           HD2      HIS  45  -2.167  -7.128   3.138
  345    HE1  HIS  45           HE1      HIS  45  -4.889  -7.049   6.351
  346    HE2  HIS  45           HE2      HIS  45  -3.178  -8.437   5.129
  347    H    GLU  46           HN       GLU  46  -1.555  -4.870   5.236
  348    HA   GLU  46           HA       GLU  46   1.153  -4.244   5.322
  349   1HB   GLU  46           HBR      GLU  46   0.126  -6.953   6.090
  350   2HB   GLU  46           HBS      GLU  46   1.340  -6.021   6.777
  351   1HG   GLU  46           HGR      GLU  46  -1.635  -5.458   7.081
  352   2HG   GLU  46           HGS      GLU  46  -0.427  -5.905   8.316
  353    H    GLY  47           HN       GLY  47   2.018  -4.264   3.240
  354   1HA   GLY  47           HAR      GLY  47   3.432  -6.314   2.087
  355   2HA   GLY  47           HAS      GLY  47   1.756  -6.621   1.556
  356    H    LYS  48           HN       LYS  48   0.623  -4.392   0.931
  357    HA   LYS  48           HA       LYS  48   2.355  -3.049  -1.070
  358   1HB   LYS  48           HBS      LYS  48  -0.022  -4.832  -1.690
  359   2HB   LYS  48           HBR      LYS  48   0.684  -3.657  -2.835
  360   1HG   LYS  48           HGR      LYS  48   1.634  -5.718  -3.449
  361   2HG   LYS  48           HGS      LYS  48   2.903  -4.921  -2.477
  362   1HD   LYS  48           HDS      LYS  48   2.965  -6.579  -1.046
  363   2HD   LYS  48           HDR      LYS  48   1.267  -6.392  -0.710
  364   1HE   LYS  48           HER      LYS  48   0.977  -8.408  -1.524
  365   2HE   LYS  48           HES      LYS  48   1.244  -7.694  -3.140
  366   1HZ   LYS  48           HZB      LYS  48   3.680  -8.234  -1.846
  367   2HZ   LYS  48           HZC      LYS  48   2.769  -9.589  -1.912
  368   3HZ   LYS  48           HZA      LYS  48   3.131  -8.781  -3.284
  369    HA   PRO  49           HA       PRO  49  -0.565   0.223  -0.503
  370   1HB   PRO  49           HBR      PRO  49   0.262   1.677  -2.588
  371   2HB   PRO  49           HBS      PRO  49   0.870   1.796  -1.066
  372   1HG   PRO  49           HGS      PRO  49   2.075   0.706  -3.313
  373   2HG   PRO  49           HGR      PRO  49   2.784   1.131  -1.865
  374   1HD   PRO  49           HDS      PRO  49   2.181  -1.396  -2.708
  375   2HD   PRO  49           HDR      PRO  49   2.796  -0.963  -1.234
  376    H    TYR  50           HN       TYR  50  -2.360   1.262  -1.438
  377    HA   TYR  50           HA       TYR  50  -2.983   0.523  -4.178
  378   1HB   TYR  50           HBR      TYR  50  -4.918  -0.153  -1.928
  379   2HB   TYR  50           HBS      TYR  50  -5.346  -0.092  -3.662
  380    HD1  TYR  50           HD2      TYR  50  -2.985  -1.771  -1.298
  381    HD2  TYR  50           HD1      TYR  50  -5.322  -2.111  -4.835
  382    HE1  TYR  50           HE2      TYR  50  -2.496  -4.174  -1.380
  383    HE2  TYR  50           HE1      TYR  50  -4.862  -4.523  -4.915
  384    HH   TYR  50           HH       TYR  50  -4.017  -6.186  -2.266
  385    H    CYS  51           HN       CYS  51  -5.360   1.648  -4.537
  386    HA   CYS  51           HA       CYS  51  -5.513   4.355  -3.826
  387   1HB   CYS  51           HBS      CYS  51  -7.726   2.338  -4.257
  388   2HB   CYS  51           HBR      CYS  51  -7.998   4.086  -4.015
  389    H    ASN  52           HN       ASN  52  -6.017   5.487  -2.103
  390    HA   ASN  52           HA       ASN  52  -6.585   4.378   0.465
  391   1HB   ASN  52           HBS      ASN  52  -5.714   6.738  -0.205
  392   2HB   ASN  52           HBR      ASN  52  -7.453   7.138  -0.280
  393   1HD2  ASN  52           HD2      ASN  52  -7.099   8.026   3.101
  394   2HD2  ASN  52           HD2      ASN  52  -7.286   8.581   1.472
  395    H    HIS  53           HN       HIS  53  -8.599   5.491  -2.217
  396    HA   HIS  53           HA       HIS  53 -10.467   3.385  -1.538
  397   1HB   HIS  53           HBS      HIS  53 -11.404   6.282  -1.477
  398   2HB   HIS  53           HBR      HIS  53 -12.492   4.917  -1.860
  399    HD1  HIS  53           HD1      HIS  53 -13.583   3.804   0.143
  400    HD2  HIS  53           HD2      HIS  53 -10.285   6.129   1.173
  401    HE1  HIS  53           HE1      HIS  53 -13.602   3.990   2.643
  402    HE2  HIS  53           HE2      HIS  53 -11.607   5.394   3.271
  403    HA   PRO  54           HA       PRO  54 -12.452   3.067  -2.133
  404   1HB   PRO  54           HBS      PRO  54 -13.675   1.321  -3.746
  405   2HB   PRO  54           HBR      PRO  54 -14.317   2.758  -3.275
  406   1HG   PRO  54           HGR      PRO  54 -13.423   2.030  -5.787
  407   2HG   PRO  54           HGS      PRO  54 -14.223   3.422  -5.342
  408   1HD   PRO  54           HDS      PRO  54 -11.527   3.119  -5.872
  409   2HD   PRO  54           HDR      PRO  54 -12.343   4.520  -5.545
  410    H    CYS  55           HN       CYS  55 -10.104   1.906  -4.133
  411    HA   CYS  55           HA       CYS  55 -10.564  -0.793  -4.075
  412   1HB   CYS  55           HBS      CYS  55  -7.854   0.543  -4.283
  413   2HB   CYS  55           HBR      CYS  55  -8.272  -1.112  -4.808
  414    H    TYR  56           HN       TYR  56  -8.641   1.099  -1.767
  415    HA   TYR  56           HA       TYR  56  -7.775  -1.094  -0.137
  416   1HB   TYR  56           HBR      TYR  56  -6.762   1.107   0.067
  417   2HB   TYR  56           HBS      TYR  56  -8.327   1.815   0.562
  418    HD1  TYR  56           HD2      TYR  56  -6.677  -1.349   1.668
  419    HD2  TYR  56           HD1      TYR  56  -7.910   2.568   2.776
  420    HE1  TYR  56           HE2      TYR  56  -6.104  -1.838   4.003
  421    HE2  TYR  56           HE1      TYR  56  -7.318   2.099   5.114
  422    HH   TYR  56           HH       TYR  56  -7.383  -0.143   6.507
  423    H    SER  57           HN       SER  57 -10.541   1.170   0.153
  424    HA   SER  57           HA       SER  57 -11.483   0.015   2.560
  425   1HB   SER  57           HBS      SER  57 -11.997   2.312   1.205
  426   2HB   SER  57           HBR      SER  57 -13.498   1.392   0.904
  427    HG   SER  57           HG       SER  57 -14.128   2.039   2.734
  428    H    ALA  58           HN       ALA  58 -11.976  -0.805  -0.782
  429    HA   ALA  58           HA       ALA  58 -14.476  -2.219  -0.279
  430   1HB   ALA  58           HMB      ALA  58 -13.870  -0.828  -2.333
  431   2HB   ALA  58           HMB      ALA  58 -12.875  -2.219  -2.835
  432   3HB   ALA  58           HMB      ALA  58 -14.630  -2.417  -2.605
  433    H    MET  59           HN       MET  59 -11.139  -3.031  -1.254
  434    HA   MET  59           HA       MET  59 -11.667  -5.828  -1.403
  435   1HB   MET  59           HBR      MET  59  -9.642  -4.119  -2.227
  436   2HB   MET  59           HBS      MET  59  -8.861  -5.146  -0.989
  437   1HG   MET  59           HGS      MET  59  -9.876  -7.159  -2.194
  438   2HG   MET  59           HGR      MET  59 -10.329  -6.033  -3.496
  439   1HE   MET  59           HME      MET  59  -8.083  -8.050  -1.736
  440   2HE   MET  59           HME      MET  59  -7.034  -8.475  -3.110
  441   3HE   MET  59           HME      MET  59  -6.429  -7.396  -1.829
  442    H    PHE  60           HN       PHE  60  -9.960  -3.828   1.018
  443    HA   PHE  60           HA       PHE  60  -9.469  -6.223   2.625
  444   1HB   PHE  60           HBR      PHE  60  -8.385  -3.413   2.632
  445   2HB   PHE  60           HBS      PHE  60  -8.306  -4.378   4.136
  446    HD1  PHE  60           HD1      PHE  60  -7.349  -6.667   4.005
  447    HD2  PHE  60           HD2      PHE  60  -6.668  -3.763   0.960
  448    HE1  PHE  60           HE1      PHE  60  -5.437  -7.981   3.206
  449    HE2  PHE  60           HE2      PHE  60  -4.740  -5.073   0.133
  450    HZ   PHE  60           HZ       PHE  60  -4.169  -7.220   1.234
  451    H    GLY  61           HN       GLY  61 -11.468  -6.752   3.442
  452   1HA   GLY  61           HAR      GLY  61 -12.192  -5.119   5.819
  453   2HA   GLY  61           HAS      GLY  61 -13.490  -5.772   4.778
  454    HA   PRO  62           HA       PRO  62 -13.184  -9.641   6.941
  455   1HB   PRO  62           HBR      PRO  62 -14.369 -11.009   4.901
  456   2HB   PRO  62           HBS      PRO  62 -15.089 -10.512   6.288
  457   1HG   PRO  62           HGS      PRO  62 -15.559  -9.564   3.805
  458   2HG   PRO  62           HGR      PRO  62 -16.201  -8.977   5.229
  459   1HD   PRO  62           HDS      PRO  62 -14.135  -7.896   3.677
  460   2HD   PRO  62           HDR      PRO  62 -15.009  -7.163   4.875
  461    H    LYS  63           HN       LYS  63 -12.464 -11.913   6.523
  462    HA   LYS  63           HA       LYS  63 -11.089 -12.592   4.204
  463   1HB   LYS  63           HBR      LYS  63  -9.471 -10.823   4.879
  464   2HB   LYS  63           HBS      LYS  63  -9.146 -11.744   6.376
  465   1HG   LYS  63           HGR      LYS  63  -7.386 -12.333   4.927
  466   2HG   LYS  63           HGS      LYS  63  -8.527 -13.704   4.821
  467   1HD   LYS  63           HDS      LYS  63  -9.484 -12.266   2.809
  468   2HD   LYS  63           HDR      LYS  63  -7.874 -11.602   2.822
  469   1HE   LYS  63           HES      LYS  63  -7.098 -14.091   2.853
  470   2HE   LYS  63           HER      LYS  63  -8.751 -14.386   2.241
  471   1HZ   LYS  63           HZA      LYS  63  -8.287 -12.858   0.462
  472   2HZ   LYS  63           HZB      LYS  63  -6.779 -12.577   1.023
  473   3HZ   LYS  63           HZC      LYS  63  -7.180 -14.059   0.466
  474    H    GLY  64           HN       GLY  64  -9.854 -12.926   7.535
  475   1HA   GLY  64           HAS      GLY  64 -10.267 -14.948   8.909
  476   2HA   GLY  64           HAR      GLY  64 -10.446 -15.854   7.382
  477    H    PHE  65           HN       PHE  65  -8.408 -15.337   9.864
  478    HA   PHE  65           HA       PHE  65  -6.269 -16.017  10.249
  479   1HB   PHE  65           HBS      PHE  65  -6.907 -17.841   8.564
  480   2HB   PHE  65           HBR      PHE  65  -6.049 -16.863   7.338
  481    HD1  PHE  65           HD1      PHE  65  -5.771 -18.790  10.410
  482    HD2  PHE  65           HD2      PHE  65  -3.554 -16.713   7.420
  483    HE1  PHE  65           HE1      PHE  65  -3.719 -19.878  11.204
  484    HE2  PHE  65           HE2      PHE  65  -1.472 -17.793   8.204
  485    HZ   PHE  65           HZ       PHE  65  -1.579 -19.427  10.065
  486    H    GLY  66           HN       GLY  66  -4.200 -15.251  10.161
  487   1HA   GLY  66           HAS      GLY  66  -2.873 -14.118   8.031
  488   2HA   GLY  66           HAR      GLY  66  -3.674 -12.730   8.816
  489    H    ARG  67           HN       ARG  67  -3.377 -12.584  11.223
  490    HA   ARG  67           HA       ARG  67  -1.063 -14.017  12.310
  491   1HB   ARG  67           HBS      ARG  67  -0.538 -11.536  11.325
  492   2HB   ARG  67           HBR      ARG  67  -1.042 -11.137  12.994
  493   1HG   ARG  67           HGS      ARG  67   0.654 -12.781  13.823
  494   2HG   ARG  67           HGR      ARG  67   1.220 -12.973  12.139
  495   1HD   ARG  67           HDS      ARG  67   2.231 -10.975  12.106
  496   2HD   ARG  67           HDR      ARG  67   0.982 -10.203  13.122
  497    HE   ARG  67           HE       ARG  67   3.395 -11.609  14.043
  498   1HH1  ARG  67           HH1      ARG  67   0.482  -9.773  14.799
  499   2HH1  ARG  67           HH1      ARG  67   0.859  -9.660  16.486
  500   1HH2  ARG  67           HH2      ARG  67   3.790 -11.551  16.274
  501   2HH2  ARG  67           HH2      ARG  67   2.732 -10.664  17.320
  502    H    GLY  68           HN       GLY  68  -1.323 -14.493  14.395
  503   1HA   GLY  68           HAS      GLY  68  -3.199 -12.964  16.108
  504   2HA   GLY  68           HAR      GLY  68  -3.593 -14.664  15.735
  505    H    GLY  69           HN       GLY  69  -2.912 -13.352  18.292
  506   1HA   GLY  69           HAS      GLY  69  -1.972 -14.928  20.060
  507   2HA   GLY  69           HAR      GLY  69  -0.516 -14.978  19.032
  508    H    ALA  70           HN       ALA  70  -0.356 -14.159  21.645
  509    HA   ALA  70           HA       ALA  70   0.471 -11.330  21.232
  510   1HB   ALA  70           HMB      ALA  70  -1.399 -11.398  22.819
  511   2HB   ALA  70           HMB      ALA  70  -0.495 -12.551  23.833
  512   3HB   ALA  70           HMB      ALA  70   0.125 -10.896  23.596
  513    H    GLU  71           HN       GLU  71   1.773 -13.908  20.708
  514    HA   GLU  71           HA       GLU  71   4.072 -13.746  22.602
  515   1HB   GLU  71           HBR      GLU  71   3.673 -15.618  20.273
  516   2HB   GLU  71           HBS      GLU  71   4.839 -15.677  21.478
  517   1HG   GLU  71           HGS      GLU  71   3.383 -17.336  22.155
  518   2HG   GLU  71           HGR      GLU  71   2.996 -15.991  23.262
  519    H    SER  72           HN       SER  72   6.216 -13.776  21.494
  520    HA   SER  72           HA       SER  72   6.151 -11.565  19.523
  521   1HB   SER  72           HBS      SER  72   7.118 -10.875  21.559
  522   2HB   SER  72           HBR      SER  72   8.144 -12.334  21.666
  523    HG   SER  72           HG       SER  72   8.197 -10.073  19.847
  524    H    HIS  73           HN       HIS  73   8.244 -14.334  20.424
  525    HA   HIS  73           HA       HIS  73   8.440 -15.221  17.725
  526   1HB   HIS  73           HBS      HIS  73  10.178 -13.193  17.940
  527   2HB   HIS  73           HBR      HIS  73  11.185 -14.472  18.679
  528    HD1  HIS  73           HD1      HIS  73  10.998 -12.981  15.543
  529    HD2  HIS  73           HD2      HIS  73  10.627 -16.946  16.763
  530    HE1  HIS  73           HE1      HIS  73  11.347 -14.385  13.497
  531    HE2  HIS  73           HE2      HIS  73  11.101 -16.785  14.224
  532    H    THR  74           HN       THR  74  10.502 -15.125  20.658
  533    HA   THR  74           HA       THR  74  10.934 -17.979  20.736
  534    HB   THR  74           HB       THR  74  11.734 -17.558  23.075
  535    HG1  THR  74           HG1      THR  74  11.706 -15.741  23.838
  536   1HG2  THR  74           HMG      THR  74  13.001 -16.733  20.784
  537   2HG2  THR  74           HMG      THR  74  13.045 -15.266  21.797
  538   3HG2  THR  74           HMG      THR  74  13.729 -16.793  22.411
  539    H    PHE  75           HN       PHE  75  10.094 -19.412  22.333
  540    HA   PHE  75           HA       PHE  75   7.215 -18.848  22.828
  541   1HB   PHE  75           HBR      PHE  75   7.099 -21.467  22.734
  542   2HB   PHE  75           HBS      PHE  75   7.144 -20.516  21.219
  543    HD1  PHE  75           HD2      PHE  75   9.249 -20.541  19.820
  544    HD2  PHE  75           HD1      PHE  75   8.918 -22.736  23.457
  545    HE1  PHE  75           HE2      PHE  75  11.223 -21.887  19.182
  546    HE2  PHE  75           HE1      PHE  75  10.871 -24.088  22.846
  547    HZ   PHE  75           HZ       PHE  75  11.990 -23.705  20.681
  548    H    LYS  76           HN       LYS  76   9.689 -18.550  24.580
  549    HA   LYS  76           HA       LYS  76   8.258 -19.298  26.953
  550   1HB   LYS  76           HBS      LYS  76   9.643 -21.410  26.253
  551   2HB   LYS  76           HBR      LYS  76  11.025 -20.470  26.883
  552   1HG   LYS  76           HGR      LYS  76   9.209 -20.190  28.917
  553   2HG   LYS  76           HGS      LYS  76   8.821 -21.828  28.320
  554   1HD   LYS  76           HDS      LYS  76  10.391 -22.324  29.876
  555   2HD   LYS  76           HDR      LYS  76  11.334 -22.250  28.413
  556   1HE   LYS  76           HES      LYS  76  12.664 -21.072  29.856
  557   2HE   LYS  76           HER      LYS  76  11.737 -19.776  29.048
  558   1HZ   LYS  76           HZB      LYS  76  10.169 -20.066  30.998
  559   2HZ   LYS  76           HZC      LYS  76  11.393 -20.850  31.743
  560   3HZ   LYS  76           HZA      LYS  76  11.583 -19.297  31.276
   
  No H/Q in entry =         560
  Start of MODEL   36
    1    H    PRO   1           HN       PRO   1  16.380   2.714   5.223
    2    HA   PRO   1           HA       PRO   1  13.988   2.639   5.429
    3   1HB   PRO   1           HBR      PRO   1  13.133   4.310   3.525
    4   2HB   PRO   1           HBS      PRO   1  13.073   4.624   5.135
    5   1HG   PRO   1           HGS      PRO   1  14.787   5.710   3.225
    6   2HG   PRO   1           HGR      PRO   1  14.404   6.307   4.734
    7   1HD   PRO   1           HDR      PRO   1  16.709   5.073   4.070
    8   2HD   PRO   1           HDS      PRO   1  16.211   5.424   5.606
    9    H    LYS   2           HN       LYS   2  12.574   1.440   4.173
   10    HA   LYS   2           HA       LYS   2  13.869   0.310   1.744
   11   1HB   LYS   2           HBR      LYS   2  12.744  -1.532   3.821
   12   2HB   LYS   2           HBS      LYS   2  14.006  -1.812   2.587
   13   1HG   LYS   2           HGR      LYS   2  15.130  -1.854   4.674
   14   2HG   LYS   2           HGS      LYS   2  15.496  -0.258   3.961
   15   1HD   LYS   2           HDS      LYS   2  14.598   0.829   5.645
   16   2HD   LYS   2           HDR      LYS   2  13.111  -0.070   5.507
   17   1HE   LYS   2           HES      LYS   2  13.772  -1.716   7.012
   18   2HE   LYS   2           HER      LYS   2  15.496  -1.274   6.853
   19   1HZ   LYS   2           HZC      LYS   2  13.701   0.757   7.843
   20   2HZ   LYS   2           HZA      LYS   2  14.021  -0.486   8.852
   21   3HZ   LYS   2           HZB      LYS   2  15.242   0.426   8.268
   22    H    CYS   3           HN       CYS   3  12.507  -0.761   0.352
   23    HA   CYS   3           HA       CYS   3   9.902   0.326   0.370
   24   1HB   CYS   3           HBS      CYS   3  11.484   0.122  -1.549
   25   2HB   CYS   3           HBR      CYS   3  11.119  -1.626  -1.587
   26    HA   PRO   4           HA       PRO   4   7.653  -3.201   1.964
   27   1HB   PRO   4           HBR      PRO   4   5.318  -1.825   1.506
   28   2HB   PRO   4           HBS      PRO   4   6.006  -2.142   2.963
   29   1HG   PRO   4           HGS      PRO   4   5.783   0.268   1.867
   30   2HG   PRO   4           HGR      PRO   4   6.786  -0.109   3.146
   31   1HD   PRO   4           HDS      PRO   4   7.456   0.227   0.411
   32   2HD   PRO   4           HDR      PRO   4   8.405   0.485   1.742
   33    H    LYS   5           HN       LYS   5   7.614  -1.711  -1.026
   34    HA   LYS   5           HA       LYS   5   5.520  -3.402  -2.202
   35   1HB   LYS   5           HBR      LYS   5   6.361  -0.931  -2.843
   36   2HB   LYS   5           HBS      LYS   5   7.430  -1.886  -3.911
   37   1HG   LYS   5           HGR      LYS   5   4.388  -1.916  -3.850
   38   2HG   LYS   5           HGS      LYS   5   5.438  -1.262  -5.139
   39   1HD   LYS   5           HDR      LYS   5   4.986  -3.205  -6.096
   40   2HD   LYS   5           HDS      LYS   5   6.385  -3.704  -5.187
   41   1HE   LYS   5           HER      LYS   5   5.184  -5.262  -4.184
   42   2HE   LYS   5           HES      LYS   5   4.091  -4.018  -3.517
   43   1HZ   LYS   5           HZC      LYS   5   2.989  -4.107  -5.744
   44   2HZ   LYS   5           HZA      LYS   5   3.837  -5.470  -6.048
   45   3HZ   LYS   5           HZB      LYS   5   2.785  -5.425  -4.800
   46    H    CYS   6           HN       CYS   6   8.921  -2.769  -3.139
   47    HA   CYS   6           HA       CYS   6   8.839  -5.361  -4.527
   48   1HB   CYS   6           HBS      CYS   6  10.769  -4.572  -5.768
   49   2HB   CYS   6           HBR      CYS   6   9.383  -3.452  -5.860
   50    H    ASP   7           HN       ASP   7  10.132  -4.003  -1.683
   51    HA   ASP   7           HA       ASP   7  11.622  -4.690  -0.130
   52   1HB   ASP   7           HBS      ASP   7  10.503  -6.973  -0.876
   53   2HB   ASP   7           HBR      ASP   7  12.174  -7.304  -1.418
   54    H    LYS   8           HN       LYS   8  12.602  -2.942  -1.701
   55    HA   LYS   8           HA       LYS   8  15.435  -3.855  -1.725
   56   1HB   LYS   8           HBR      LYS   8  14.055  -2.384  -3.791
   57   2HB   LYS   8           HBS      LYS   8  15.303  -1.353  -3.033
   58   1HG   LYS   8           HGR      LYS   8  16.039  -4.157  -3.823
   59   2HG   LYS   8           HGS      LYS   8  15.862  -2.922  -5.104
   60   1HD   LYS   8           HDR      LYS   8  17.917  -2.330  -4.726
   61   2HD   LYS   8           HDS      LYS   8  17.370  -1.603  -3.241
   62   1HE   LYS   8           HER      LYS   8  18.638  -4.289  -3.688
   63   2HE   LYS   8           HES      LYS   8  19.212  -2.945  -2.658
   64   1HZ   LYS   8           HZB      LYS   8  17.164  -3.352  -1.333
   65   2HZ   LYS   8           HZC      LYS   8  16.940  -4.735  -2.171
   66   3HZ   LYS   8           HZA      LYS   8  18.279  -4.541  -1.257
   67    H    GLU   9           HN       GLU   9  16.659  -1.450  -1.593
   68    HA   GLU   9           HA       GLU   9  15.400   0.008   0.694
   69   1HB   GLU   9           HBR      GLU   9  18.171   0.629  -0.094
   70   2HB   GLU   9           HBS      GLU   9  17.403   0.655   1.393
   71   1HG   GLU   9           HGS      GLU   9  17.331  -1.840   1.475
   72   2HG   GLU   9           HGR      GLU   9  18.452  -1.893   0.087
   73    H    VAL  10           HN       VAL  10  15.390   2.293   0.543
   74    HA   VAL  10           HA       VAL  10  14.883   2.998  -2.284
   75    HB   VAL  10           HB       VAL  10  13.490   3.630   0.315
   76   1HG1  VAL  10           HMG      VAL  10  13.623   5.678  -1.233
   77   2HG1  VAL  10           HMG      VAL  10  12.540   4.767  -2.310
   78   3HG1  VAL  10           HMG      VAL  10  12.021   5.161  -0.653
   79   1HG2  VAL  10           HMG      VAL  10  13.205   1.548  -1.406
   80   2HG2  VAL  10           HMG      VAL  10  11.950   2.151  -0.299
   81   3HG2  VAL  10           HMG      VAL  10  11.957   2.679  -1.997
   82    H    TYR  11           HN       TYR  11  16.004   4.495  -3.220
   83    HA   TYR  11           HA       TYR  11  17.963   6.085  -1.718
   84   1HB   TYR  11           HBR      TYR  11  17.708   5.130  -4.395
   85   2HB   TYR  11           HBS      TYR  11  17.695   6.915  -4.452
   86    HD1  TYR  11           HD1      TYR  11  19.550   4.742  -2.032
   87    HD2  TYR  11           HD2      TYR  11  19.820   7.319  -5.405
   88    HE1  TYR  11           HE1      TYR  11  21.999   4.753  -1.821
   89    HE2  TYR  11           HE2      TYR  11  22.264   7.361  -5.187
   90    HH   TYR  11           HH       TYR  11  24.007   5.769  -4.297
   91    H    PHE  12           HN       PHE  12  18.003   8.371  -1.791
   92    HA   PHE  12           HA       PHE  12  15.727   9.232  -0.592
   93   1HB   PHE  12           HBR      PHE  12  18.181  10.285  -0.657
   94   2HB   PHE  12           HBS      PHE  12  17.402  11.411  -1.806
   95    HD1  PHE  12           HD1      PHE  12  17.331  10.023   1.570
   96    HD2  PHE  12           HD2      PHE  12  15.897  13.147  -0.948
   97    HE1  PHE  12           HE1      PHE  12  16.382  11.143   3.537
   98    HE2  PHE  12           HE2      PHE  12  14.933  14.296   1.018
   99    HZ   PHE  12           HZ       PHE  12  15.130  13.249   3.256
  100    H    ALA  13           HN       ALA  13  16.845  10.918  -3.544
  101    HA   ALA  13           HA       ALA  13  14.445  12.052  -4.053
  102   1HB   ALA  13           HMB      ALA  13  16.709  11.335  -5.937
  103   2HB   ALA  13           HMB      ALA  13  15.359  12.400  -6.406
  104   3HB   ALA  13           HMB      ALA  13  16.447  12.873  -5.078
  105    H    GLU  14           HN       GLU  14  15.029   8.804  -4.447
  106    HA   GLU  14           HA       GLU  14  12.900   8.453  -6.459
  107   1HB   GLU  14           HBS      GLU  14  14.668   6.588  -4.932
  108   2HB   GLU  14           HBR      GLU  14  13.574   6.040  -6.082
  109   1HG   GLU  14           HGS      GLU  14  15.996   7.834  -6.443
  110   2HG   GLU  14           HGR      GLU  14  15.861   6.187  -7.116
  111    H    ARG  15           HN       ARG  15  12.601   9.366  -3.493
  112    HA   ARG  15           HA       ARG  15  11.379   6.990  -2.287
  113   1HB   ARG  15           HBR      ARG  15  11.560   8.099  -0.196
  114   2HB   ARG  15           HBS      ARG  15  13.087   8.369  -1.085
  115   1HG   ARG  15           HGR      ARG  15  12.826  10.484  -0.374
  116   2HG   ARG  15           HGS      ARG  15  11.713  10.613  -1.766
  117   1HD   ARG  15           HDR      ARG  15   9.980   9.686  -0.017
  118   2HD   ARG  15           HDS      ARG  15  11.139  10.385   1.148
  119    HE   ARG  15           HE       ARG  15   9.258  11.824  -0.406
  120   1HH1  ARG  15           HH1      ARG  15  12.530  12.022   0.891
  121   2HH1  ARG  15           HH1      ARG  15  12.622  13.740   0.690
  122   1HH2  ARG  15           HH2      ARG  15   9.464  14.052  -0.772
  123   2HH2  ARG  15           HH2      ARG  15  10.887  14.889  -0.249
  124    H    VAL  16           HN       VAL  16   9.376   6.932  -1.283
  125    HA   VAL  16           HA       VAL  16   7.888   9.393  -1.058
  126    HB   VAL  16           HB       VAL  16   5.793   8.656  -1.927
  127   1HG1  VAL  16           HMG      VAL  16   7.345   9.747  -3.501
  128   2HG1  VAL  16           HMG      VAL  16   7.899   8.145  -4.041
  129   3HG1  VAL  16           HMG      VAL  16   6.210   8.636  -4.306
  130   1HG2  VAL  16           HMG      VAL  16   6.067   6.237  -1.429
  131   2HG2  VAL  16           HMG      VAL  16   5.389   6.578  -3.040
  132   3HG2  VAL  16           HMG      VAL  16   7.095   6.095  -2.876
  133    H    THR  17           HN       THR  17   6.348   9.320   0.620
  134    HA   THR  17           HA       THR  17   7.083   7.203   2.576
  135    HB   THR  17           HB       THR  17   6.275  10.065   3.301
  136    HG1  THR  17           HG1      THR  17   8.014  10.668   3.053
  137   1HG2  THR  17           HMG      THR  17   6.588   7.940   4.933
  138   2HG2  THR  17           HMG      THR  17   8.261   8.552   4.890
  139   3HG2  THR  17           HMG      THR  17   6.934   9.621   5.412
  140    H    SER  18           HN       SER  18   5.586   6.273   3.834
  141    HA   SER  18           HA       SER  18   2.940   7.069   4.233
  142   1HB   SER  18           HBS      SER  18   2.709   6.808   1.786
  143   2HB   SER  18           HBR      SER  18   3.131   5.081   1.951
  144    HG   SER  18           HG       SER  18   0.774   6.420   2.214
  145    H    LEU  19           HN       LEU  19   1.983   5.805   5.699
  146    HA   LEU  19           HA       LEU  19   1.955   4.387   7.486
  147   1HB   LEU  19           HBR      LEU  19   3.222   2.512   5.464
  148   2HB   LEU  19           HBS      LEU  19   2.521   2.036   7.038
  149    HG   LEU  19           HG       LEU  19   0.951   1.463   5.362
  150   1HD1  LEU  19           HMD      LEU  19   0.158   4.100   6.639
  151   2HD1  LEU  19           HMD      LEU  19  -0.966   2.945   5.877
  152   3HD1  LEU  19           HMD      LEU  19  -0.051   2.473   7.334
  153   1HD2  LEU  19           HMD      LEU  19   2.121   3.301   3.829
  154   2HD2  LEU  19           HMD      LEU  19   0.469   2.713   3.508
  155   3HD2  LEU  19           HMD      LEU  19   0.715   4.264   4.350
  156    H    GLY  20           HN       GLY  20   4.243   6.177   6.897
  157   1HA   GLY  20           HAS      GLY  20   6.084   6.838   8.107
  158   2HA   GLY  20           HAR      GLY  20   5.628   5.583   9.291
  159    H    LYS  21           HN       LYS  21   6.103   4.496   6.058
  160    HA   LYS  21           HA       LYS  21   9.011   4.230   6.350
  161   1HB   LYS  21           HBS      LYS  21   8.751   1.900   5.206
  162   2HB   LYS  21           HBR      LYS  21   8.654   2.047   6.983
  163   1HG   LYS  21           HGR      LYS  21   6.288   1.790   6.975
  164   2HG   LYS  21           HGS      LYS  21   6.193   2.031   5.207
  165   1HD   LYS  21           HDR      LYS  21   5.853  -0.245   5.622
  166   2HD   LYS  21           HDS      LYS  21   7.402  -0.062   4.847
  167   1HE   LYS  21           HER      LYS  21   7.162  -0.215   7.835
  168   2HE   LYS  21           HES      LYS  21   7.161  -1.694   6.833
  169   1HZ   LYS  21           HZA      LYS  21   9.252  -0.183   5.954
  170   2HZ   LYS  21           HZB      LYS  21   9.326  -0.064   7.581
  171   3HZ   LYS  21           HZC      LYS  21   9.340  -1.533   6.866
  172    H    ASP  22           HN       ASP  22  10.068   4.035   4.340
  173    HA   ASP  22           HA       ASP  22   8.629   5.627   2.415
  174   1HB   ASP  22           HBS      ASP  22  11.515   4.816   2.194
  175   2HB   ASP  22           HBR      ASP  22  10.685   6.262   1.547
  176    H    TRP  23           HN       TRP  23   9.061   5.331   0.052
  177    HA   TRP  23           HA       TRP  23   9.170   2.479  -0.775
  178   1HB   TRP  23           HBR      TRP  23   7.162   4.542  -1.695
  179   2HB   TRP  23           HBS      TRP  23   7.192   2.790  -2.076
  180    HD1  TRP  23           HD1      TRP  23   6.477   5.234   0.831
  181    HE1  TRP  23           HE1      TRP  23   4.653   4.195   2.316
  182    HE3  TRP  23           HE3      TRP  23   6.081   0.736  -1.511
  183    HZ2  TRP  23           HZ2      TRP  23   3.153   1.825   2.364
  184    HZ3  TRP  23           HZ3      TRP  23   4.437  -0.880  -0.678
  185    HH2  TRP  23           HH2      TRP  23   2.913  -0.305   1.138
  186    H    HIS  24           HN       ZHI  24   9.175   2.379  -3.254
  187    HA   HIS  24           HA       ZHI  24  10.832   4.518  -4.406
  188   1HB   HIS  24           HBS      ZHI  24   9.861   1.937  -5.717
  189   2HB   HIS  24           HBR      ZHI  24  11.057   3.092  -6.375
  190    HD2  HIS  24           HD2      ZHI  24  13.122   3.463  -4.067
  191    HE1  HIS  24           HE1      ZHI  24  12.788  -0.546  -2.932
  192    HE2  HIS  24           HE2      ZHI  24  14.333   1.442  -2.997
  193    H    ARG  25           HN       ARG  25  10.281   5.817  -6.072
  194    HA   ARG  25           HA       ARG  25   7.684   6.846  -5.902
  195   1HB   ARG  25           HBR      ARG  25   9.614   8.195  -6.588
  196   2HB   ARG  25           HBS      ARG  25   9.726   7.267  -8.112
  197   1HG   ARG  25           HGR      ARG  25   8.676   9.477  -8.419
  198   2HG   ARG  25           HGS      ARG  25   7.575   8.132  -8.838
  199   1HD   ARG  25           HDR      ARG  25   6.084   8.985  -7.464
  200   2HD   ARG  25           HDS      ARG  25   7.194   8.642  -6.106
  201    HE   ARG  25           HE       ARG  25   7.825  10.895  -6.071
  202   1HH1  ARG  25           HH1      ARG  25   5.983  10.267  -9.011
  203   2HH1  ARG  25           HH1      ARG  25   5.611  11.939  -9.265
  204   1HH2  ARG  25           HH2      ARG  25   7.212  13.057  -6.367
  205   2HH2  ARG  25           HH2      ARG  25   6.311  13.519  -7.772
  206    HA   PRO  26           HA       PRO  26   6.913   4.680 -10.177
  207   1HB   PRO  26           HBS      PRO  26   8.534   2.560 -10.562
  208   2HB   PRO  26           HBR      PRO  26   8.604   3.972 -11.399
  209   1HG   PRO  26           HGR      PRO  26  10.321   3.038  -9.395
  210   2HG   PRO  26           HGS      PRO  26  10.589   4.228 -10.534
  211   1HD   PRO  26           HDS      PRO  26  10.101   4.663  -7.932
  212   2HD   PRO  26           HDR      PRO  26  10.011   5.807  -9.124
  213    H    CYS  27           HN       CYS  27   7.945   2.879  -7.453
  214    HA   CYS  27           HA       CYS  27   6.534   0.522  -8.008
  215   1HB   CYS  27           HBS      CYS  27   7.821   1.740  -5.624
  216   2HB   CYS  27           HBR      CYS  27   6.616   0.457  -5.323
  217    H    LEU  28           HN       LEU  28   5.549   3.438  -6.253
  218    HA   LEU  28           HA       LEU  28   3.544   2.234  -4.739
  219   1HB   LEU  28           HBR      LEU  28   4.826   4.444  -4.521
  220   2HB   LEU  28           HBS      LEU  28   3.559   5.135  -5.574
  221    HG   LEU  28           HG       LEU  28   1.885   4.338  -3.836
  222   1HD1  LEU  28           HMD      LEU  28   4.270   3.240  -2.718
  223   2HD1  LEU  28           HMD      LEU  28   3.684   4.517  -1.623
  224   3HD1  LEU  28           HMD      LEU  28   2.607   3.173  -2.082
  225   1HD2  LEU  28           HMD      LEU  28   3.706   6.586  -3.925
  226   2HD2  LEU  28           HMD      LEU  28   1.978   6.540  -3.496
  227   3HD2  LEU  28           HMD      LEU  28   3.214   6.242  -2.248
  228    H    LYS  29           HN       LYS  29   2.339   0.899  -6.116
  229    HA   LYS  29           HA       LYS  29   0.463   2.321  -7.953
  230   1HB   LYS  29           HBS      LYS  29   0.599   0.273  -9.361
  231   2HB   LYS  29           HBR      LYS  29   2.122   1.202  -9.262
  232   1HG   LYS  29           HGR      LYS  29   3.168  -0.700  -8.725
  233   2HG   LYS  29           HGS      LYS  29   2.259  -0.705  -7.187
  234   1HD   LYS  29           HDS      LYS  29   0.377  -1.785  -8.664
  235   2HD   LYS  29           HDR      LYS  29   1.704  -2.167  -9.726
  236   1HE   LYS  29           HER      LYS  29   1.919  -2.837  -6.829
  237   2HE   LYS  29           HES      LYS  29   0.975  -3.882  -7.926
  238   1HZ   LYS  29           HZC      LYS  29   3.272  -3.464  -9.249
  239   2HZ   LYS  29           HZA      LYS  29   3.790  -3.575  -7.704
  240   3HZ   LYS  29           HZB      LYS  29   2.922  -4.791  -8.365
  241    H    CYS  30           HN       CYS  30  -1.611   1.631  -8.055
  242    HA   CYS  30           HA       CYS  30  -2.711  -0.068  -6.030
  243   1HB   CYS  30           HBS      CYS  30  -3.790   1.855  -7.393
  244   2HB   CYS  30           HBR      CYS  30  -4.126   0.572  -8.592
  245    H    GLU  31           HN       GLU  31  -2.781  -2.168  -5.920
  246    HA   GLU  31           HA       GLU  31  -2.717  -3.824  -8.383
  247   1HB   GLU  31           HBS      GLU  31  -1.947  -4.002  -5.667
  248   2HB   GLU  31           HBR      GLU  31  -3.088  -5.214  -5.883
  249   1HG   GLU  31           HGS      GLU  31  -1.752  -6.347  -7.489
  250   2HG   GLU  31           HGR      GLU  31  -0.793  -4.899  -7.896
  251    H    LYS  32           HN       LYS  32  -4.946  -2.038  -7.828
  252    HA   LYS  32           HA       LYS  32  -7.097  -4.107  -7.813
  253   1HB   LYS  32           HBR      LYS  32  -6.585  -2.099  -5.899
  254   2HB   LYS  32           HBS      LYS  32  -7.973  -1.522  -6.866
  255   1HG   LYS  32           HGS      LYS  32  -8.613  -2.840  -4.830
  256   2HG   LYS  32           HGR      LYS  32  -9.238  -3.512  -6.363
  257   1HD   LYS  32           HDS      LYS  32  -6.616  -4.513  -5.359
  258   2HD   LYS  32           HDR      LYS  32  -8.020  -4.912  -4.408
  259   1HE   LYS  32           HER      LYS  32  -8.782  -5.405  -7.049
  260   2HE   LYS  32           HES      LYS  32  -7.130  -6.065  -6.880
  261   1HZ   LYS  32           HZB      LYS  32  -8.422  -6.812  -4.622
  262   2HZ   LYS  32           HZC      LYS  32  -9.558  -7.009  -5.779
  263   3HZ   LYS  32           HZA      LYS  32  -8.115  -7.765  -5.913
  264    H    CYS  33           HN       CYS  33  -6.145  -0.797  -8.775
  265    HA   CYS  33           HA       CYS  33  -7.871  -1.194 -11.173
  266   1HB   CYS  33           HBS      CYS  33  -8.151   1.189 -11.344
  267   2HB   CYS  33           HBR      CYS  33  -8.750   0.554  -9.789
  268    H    GLY  34           HN       GLY  34  -4.705  -0.901 -10.012
  269   1HA   GLY  34           HAR      GLY  34  -2.661  -0.886 -11.087
  270   2HA   GLY  34           HAS      GLY  34  -3.534  -1.283 -12.591
  271    H    LYS  35           HN       LYS  35  -3.883   1.555 -10.451
  272    HA   LYS  35           HA       LYS  35  -2.435   3.187 -12.453
  273   1HB   LYS  35           HBS      LYS  35  -5.182   3.561 -11.783
  274   2HB   LYS  35           HBR      LYS  35  -4.246   4.872 -11.009
  275   1HG   LYS  35           HGS      LYS  35  -4.337   4.150 -13.961
  276   2HG   LYS  35           HGR      LYS  35  -4.958   5.633 -13.179
  277   1HD   LYS  35           HDS      LYS  35  -3.011   6.511 -13.844
  278   2HD   LYS  35           HDR      LYS  35  -2.397   5.736 -12.411
  279   1HE   LYS  35           HER      LYS  35  -1.313   4.102 -13.524
  280   2HE   LYS  35           HES      LYS  35  -2.449   4.117 -14.902
  281   1HZ   LYS  35           HZB      LYS  35  -0.835   6.478 -14.465
  282   2HZ   LYS  35           HZC      LYS  35  -0.072   5.158 -15.048
  283   3HZ   LYS  35           HZA      LYS  35  -1.334   5.798 -15.863
  284    H    THR  36           HN       THR  36  -0.921   4.462 -11.582
  285    HA   THR  36           HA       THR  36   0.109   3.645  -9.119
  286    HB   THR  36           HB       THR  36   1.387   4.691 -11.110
  287    HG1  THR  36           HG1      THR  36   2.771   4.735  -9.957
  288   1HG2  THR  36           HMG      THR  36  -0.053   7.014 -10.445
  289   2HG2  THR  36           HMG      THR  36   1.621   7.298  -9.903
  290   3HG2  THR  36           HMG      THR  36   1.296   6.853 -11.598
  291    H    LEU  37           HN       LEU  37   1.014   5.764  -7.708
  292    HA   LEU  37           HA       LEU  37  -1.474   6.872  -6.504
  293   1HB   LEU  37           HBR      LEU  37   0.635   5.262  -5.047
  294   2HB   LEU  37           HBS      LEU  37  -0.972   5.779  -4.462
  295    HG   LEU  37           HG       LEU  37  -0.647   3.856  -6.763
  296   1HD1  LEU  37           HMD      LEU  37  -0.101   3.421  -3.929
  297   2HD1  LEU  37           HMD      LEU  37  -1.426   2.392  -4.531
  298   3HD1  LEU  37           HMD      LEU  37   0.168   2.350  -5.327
  299   1HD2  LEU  37           HMD      LEU  37  -2.813   4.851  -4.939
  300   2HD2  LEU  37           HMD      LEU  37  -2.822   4.626  -6.706
  301   3HD2  LEU  37           HMD      LEU  37  -2.934   3.212  -5.627
  302    H    THR  38           HN       THR  38  -1.167   8.500  -4.937
  303    HA   THR  38           HA       THR  38   0.745  10.359  -6.046
  304    HB   THR  38           HB       THR  38  -1.012  11.148  -3.720
  305    HG1  THR  38           HG1      THR  38  -1.769  10.568  -6.264
  306   1HG2  THR  38           HMG      THR  38  -0.057  12.397  -6.256
  307   2HG2  THR  38           HMG      THR  38  -1.611  12.942  -5.573
  308   3HG2  THR  38           HMG      THR  38  -0.124  13.047  -4.597
  309    H    SER  39           HN       SER  39   1.397  12.107  -4.166
  310    HA   SER  39           HA       SER  39   3.347  10.887  -2.423
  311   1HB   SER  39           HBR      SER  39   3.628  13.095  -1.487
  312   2HB   SER  39           HBS      SER  39   3.586  13.174  -3.272
  313    HG   SER  39           HG       SER  39   1.255  13.579  -3.089
  314    H    GLY  40           HN       GLY  40   2.118   9.277  -1.388
  315   1HA   GLY  40           HAR      GLY  40   0.966   8.389   0.392
  316   2HA   GLY  40           HAS      GLY  40   1.058  10.015   1.121
  317    H    GLY  41           HN       GLY  41  -0.584   8.701  -1.787
  318   1HA   GLY  41           HAR      GLY  41  -3.205   9.311  -0.482
  319   2HA   GLY  41           HAS      GLY  41  -2.956   9.497  -2.239
  320    H    HIS  42           HN       HIS  42  -1.072   6.925  -1.304
  321    HA   HIS  42           HA       HIS  42  -3.135   4.955  -1.862
  322   1HB   HIS  42           HBS      HIS  42  -1.311   3.339  -1.994
  323   2HB   HIS  42           HBR      HIS  42  -0.929   4.793  -2.959
  324    HD1  HIS  42           HD1      HIS  42   0.532   2.610  -0.397
  325    HD2  HIS  42           HD2      HIS  42   0.711   6.676  -1.278
  326    HE1  HIS  42           HE1      HIS  42   2.591   3.490   0.731
  327    HE2  HIS  42           HE2      HIS  42   2.797   5.908   0.054
  328    H    ALA  43           HN       ALA  43  -2.282   2.725  -0.599
  329    HA   ALA  43           HA       ALA  43  -1.346   3.072   2.022
  330   1HB   ALA  43           HMB      ALA  43  -3.621   3.810   2.546
  331   2HB   ALA  43           HMB      ALA  43  -4.271   2.279   1.903
  332   3HB   ALA  43           HMB      ALA  43  -3.228   2.267   3.348
  333    H    GLU  44           HN       GLU  44  -1.090   1.007   3.133
  334    HA   GLU  44           HA       GLU  44  -0.539  -1.010   1.009
  335   1HB   GLU  44           HBS      GLU  44   1.310   0.144   1.837
  336   2HB   GLU  44           HBR      GLU  44   0.878   0.020   3.453
  337   1HG   GLU  44           HGR      GLU  44   1.569  -2.425   1.700
  338   2HG   GLU  44           HGS      GLU  44   2.784  -1.462   2.585
  339    H    HIS  45           HN       HIS  45  -1.424  -2.930   1.159
  340    HA   HIS  45           HA       HIS  45  -1.674  -4.121   3.860
  341   1HB   HIS  45           HBS      HIS  45  -3.975  -3.937   2.937
  342   2HB   HIS  45           HBR      HIS  45  -3.452  -4.843   1.485
  343    HD1  HIS  45           HD1      HIS  45  -3.770  -5.407   5.281
  344    HD2  HIS  45           HD2      HIS  45  -3.303  -7.532   1.734
  345    HE1  HIS  45           HE1      HIS  45  -3.961  -7.834   5.882
  346    HE2  HIS  45           HE2      HIS  45  -3.728  -9.123   3.731
  347    H    GLU  46           HN       GLU  46  -0.486  -5.877   4.137
  348    HA   GLU  46           HA       GLU  46   1.014  -7.574   3.752
  349   1HB   GLU  46           HBR      GLU  46  -0.902  -7.748   1.423
  350   2HB   GLU  46           HBS      GLU  46   0.348  -8.843   1.657
  351   1HG   GLU  46           HGR      GLU  46  -1.314  -8.477   4.111
  352   2HG   GLU  46           HGS      GLU  46  -2.102  -9.224   2.695
  353    H    GLY  47           HN       GLY  47   1.919  -5.022   2.875
  354   1HA   GLY  47           HAR      GLY  47   3.780  -4.180   1.830
  355   2HA   GLY  47           HAS      GLY  47   4.203  -5.877   1.477
  356    H    LYS  48           HN       LYS  48   1.257  -4.248   0.376
  357    HA   LYS  48           HA       LYS  48   2.547  -3.385  -2.096
  358   1HB   LYS  48           HBR      LYS  48   0.595  -4.165  -3.481
  359   2HB   LYS  48           HBS      LYS  48   1.722  -5.445  -2.949
  360   1HG   LYS  48           HGR      LYS  48  -0.556  -4.994  -1.120
  361   2HG   LYS  48           HGS      LYS  48  -1.018  -5.559  -2.752
  362   1HD   LYS  48           HDR      LYS  48   1.224  -7.060  -1.863
  363   2HD   LYS  48           HDS      LYS  48   0.056  -7.050  -0.569
  364   1HE   LYS  48           HES      LYS  48  -1.319  -7.496  -3.044
  365   2HE   LYS  48           HER      LYS  48   0.093  -8.586  -2.941
  366   1HZ   LYS  48           HZA      LYS  48  -0.823  -8.949  -0.574
  367   2HZ   LYS  48           HZB      LYS  48  -2.237  -8.436  -1.209
  368   3HZ   LYS  48           HZC      LYS  48  -1.489  -9.748  -1.833
  369    HA   PRO  49           HA       PRO  49  -0.063   0.023  -1.044
  370   1HB   PRO  49           HBR      PRO  49   0.570   1.495  -3.174
  371   2HB   PRO  49           HBS      PRO  49   1.406   1.508  -1.760
  372   1HG   PRO  49           HGS      PRO  49   2.205   0.480  -4.192
  373   2HG   PRO  49           HGR      PRO  49   3.128   0.709  -2.820
  374   1HD   PRO  49           HDS      PRO  49   2.063  -1.662  -3.764
  375   2HD   PRO  49           HDR      PRO  49   3.062  -1.449  -2.462
  376    H    TYR  50           HN       TYR  50  -1.908   1.178  -1.727
  377    HA   TYR  50           HA       TYR  50  -2.925   0.573  -4.367
  378   1HB   TYR  50           HBR      TYR  50  -4.620  -0.159  -1.948
  379   2HB   TYR  50           HBS      TYR  50  -5.168  -0.124  -3.648
  380    HD1  TYR  50           HD2      TYR  50  -2.753  -1.799  -1.353
  381    HD2  TYR  50           HD1      TYR  50  -5.062  -2.106  -4.910
  382    HE1  TYR  50           HE2      TYR  50  -2.249  -4.197  -1.462
  383    HE2  TYR  50           HE1      TYR  50  -4.598  -4.516  -5.011
  384    HH   TYR  50           HH       TYR  50  -4.057  -6.276  -2.802
  385    H    CYS  51           HN       CYS  51  -5.049   1.838  -4.670
  386    HA   CYS  51           HA       CYS  51  -5.168   4.432  -3.751
  387   1HB   CYS  51           HBS      CYS  51  -7.539   2.618  -4.268
  388   2HB   CYS  51           HBR      CYS  51  -7.604   4.393  -4.100
  389    H    ASN  52           HN       ASN  52  -5.164   5.295  -1.852
  390    HA   ASN  52           HA       ASN  52  -6.201   4.180   0.541
  391   1HB   ASN  52           HBS      ASN  52  -4.634   6.186   0.235
  392   2HB   ASN  52           HBR      ASN  52  -6.133   7.136   0.021
  393   1HD2  ASN  52           HD2      ASN  52  -5.517   7.572   3.535
  394   2HD2  ASN  52           HD2      ASN  52  -5.169   8.229   1.972
  395    H    HIS  53           HN       HIS  53  -7.696   5.872  -2.134
  396    HA   HIS  53           HA       HIS  53 -10.044   4.308  -1.554
  397   1HB   HIS  53           HBS      HIS  53 -10.280   7.342  -1.529
  398   2HB   HIS  53           HBR      HIS  53 -11.627   6.288  -2.049
  399    HD1  HIS  53           HD1      HIS  53 -13.138   5.458  -0.187
  400    HD2  HIS  53           HD2      HIS  53  -9.487   6.898   1.205
  401    HE1  HIS  53           HE1      HIS  53 -13.347   5.621   2.306
  402    HE2  HIS  53           HE2      HIS  53 -11.145   6.505   3.153
  403    HA   PRO  54           HA       PRO  54 -11.950   4.308  -2.293
  404   1HB   PRO  54           HBS      PRO  54 -13.334   2.759  -3.987
  405   2HB   PRO  54           HBR      PRO  54 -13.763   4.282  -3.546
  406   1HG   PRO  54           HGS      PRO  54 -12.865   3.411  -5.993
  407   2HG   PRO  54           HGR      PRO  54 -13.402   4.940  -5.600
  408   1HD   PRO  54           HDS      PRO  54 -10.787   4.099  -5.951
  409   2HD   PRO  54           HDR      PRO  54 -11.331   5.640  -5.699
  410    H    CYS  55           HN       CYS  55  -9.808   2.617  -4.201
  411    HA   CYS  55           HA       CYS  55 -10.808   0.087  -4.039
  412   1HB   CYS  55           HBS      CYS  55  -7.883   0.851  -4.240
  413   2HB   CYS  55           HBR      CYS  55  -8.589  -0.735  -4.658
  414    H    TYR  56           HN       TYR  56  -8.217   1.386  -1.929
  415    HA   TYR  56           HA       TYR  56  -7.957  -0.986  -0.339
  416   1HB   TYR  56           HBR      TYR  56  -6.366   1.085  -0.592
  417   2HB   TYR  56           HBS      TYR  56  -7.358   1.768   0.728
  418    HD1  TYR  56           HD1      TYR  56  -5.646  -1.506  -0.054
  419    HD2  TYR  56           HD2      TYR  56  -6.553   1.457   2.860
  420    HE1  TYR  56           HE1      TYR  56  -4.369  -2.771   1.623
  421    HE2  TYR  56           HE2      TYR  56  -5.335   0.171   4.559
  422    HH   TYR  56           HH       TYR  56  -3.202  -1.695   4.238
  423    H    SER  57           HN       SER  57  -9.689   2.107   0.151
  424    HA   SER  57           HA       SER  57 -11.013   1.419   2.522
  425   1HB   SER  57           HBS      SER  57 -11.062   3.666   1.842
  426   2HB   SER  57           HBR      SER  57 -11.793   3.268   0.261
  427    HG   SER  57           HG       SER  57 -13.612   3.653   1.094
  428    H    ALA  58           HN       ALA  58 -11.399   0.173  -0.642
  429    HA   ALA  58           HA       ALA  58 -14.181  -0.557  -0.355
  430   1HB   ALA  58           HMB      ALA  58 -12.256  -0.360  -2.435
  431   2HB   ALA  58           HMB      ALA  58 -12.876  -2.030  -2.427
  432   3HB   ALA  58           HMB      ALA  58 -14.008  -0.660  -2.557
  433    H    MET  59           HN       MET  59 -11.072  -2.316  -0.303
  434    HA   MET  59           HA       MET  59 -12.568  -4.824   0.283
  435   1HB   MET  59           HBR      MET  59 -10.508  -4.275  -1.617
  436   2HB   MET  59           HBS      MET  59  -9.850  -5.373  -0.370
  437   1HG   MET  59           HGR      MET  59 -11.671  -6.935  -0.704
  438   2HG   MET  59           HGS      MET  59 -12.496  -5.822  -1.823
  439   1HE   MET  59           HME      MET  59 -11.238  -4.697  -3.731
  440   2HE   MET  59           HME      MET  59  -9.491  -4.704  -3.381
  441   3HE   MET  59           HME      MET  59 -10.113  -5.539  -4.829
  442    H    PHE  60           HN       PHE  60  -9.930  -2.675   1.211
  443    HA   PHE  60           HA       PHE  60  -9.961  -3.979   3.888
  444   1HB   PHE  60           HBR      PHE  60  -7.809  -2.074   2.871
  445   2HB   PHE  60           HBS      PHE  60  -7.849  -2.946   4.432
  446    HD1  PHE  60           HD2      PHE  60  -7.449  -5.464   4.431
  447    HD2  PHE  60           HD1      PHE  60  -7.139  -3.071   0.919
  448    HE1  PHE  60           HE2      PHE  60  -6.322  -7.332   3.265
  449    HE2  PHE  60           HE1      PHE  60  -6.010  -4.905  -0.256
  450    HZ   PHE  60           HZ       PHE  60  -5.657  -7.058   0.892
  451    H    GLY  61           HN       GLY  61  -8.937  -1.792   5.281
  452   1HA   GLY  61           HAR      GLY  61 -11.158   0.184   5.065
  453   2HA   GLY  61           HAS      GLY  61 -10.853  -0.652   6.613
  454    HA   PRO  62           HA       PRO  62  -8.740   3.306   6.750
  455   1HB   PRO  62           HBS      PRO  62  -8.592   3.198   9.486
  456   2HB   PRO  62           HBR      PRO  62  -9.595   4.144   8.595
  457   1HG   PRO  62           HGS      PRO  62 -10.182   1.819   9.991
  458   2HG   PRO  62           HGR      PRO  62 -11.251   2.931   9.354
  459   1HD   PRO  62           HDS      PRO  62 -10.849   0.489   8.362
  460   2HD   PRO  62           HDR      PRO  62 -11.529   1.743   7.523
  461    H    LYS  63           HN       LYS  63  -7.534   1.624   9.506
  462    HA   LYS  63           HA       LYS  63  -4.846   1.654   8.215
  463   1HB   LYS  63           HBS      LYS  63  -5.687   2.569  10.893
  464   2HB   LYS  63           HBR      LYS  63  -4.300   1.442  10.886
  465   1HG   LYS  63           HGR      LYS  63  -4.143   3.617   8.882
  466   2HG   LYS  63           HGS      LYS  63  -4.117   4.159  10.584
  467   1HD   LYS  63           HDS      LYS  63  -2.240   2.189   9.280
  468   2HD   LYS  63           HDR      LYS  63  -1.893   3.837   9.726
  469   1HE   LYS  63           HES      LYS  63  -1.826   3.405  11.982
  470   2HE   LYS  63           HER      LYS  63  -2.850   1.950  11.822
  471   1HZ   LYS  63           HZC      LYS  63  -0.364   1.811  10.424
  472   2HZ   LYS  63           HZA      LYS  63  -0.196   1.928  12.045
  473   3HZ   LYS  63           HZB      LYS  63  -1.078   0.713  11.400
  474    H    GLY  64           HN       GLY  64  -6.051   0.233  11.246
  475   1HA   GLY  64           HAS      GLY  64  -6.392  -1.940  11.934
  476   2HA   GLY  64           HAR      GLY  64  -6.893  -2.225  10.246
  477    H    PHE  65           HN       PHE  65  -5.582  -3.318   8.881
  478    HA   PHE  65           HA       PHE  65  -4.035  -4.872   8.273
  479   1HB   PHE  65           HBR      PHE  65  -1.937  -3.771  10.133
  480   2HB   PHE  65           HBS      PHE  65  -1.779  -4.443   8.485
  481    HD1  PHE  65           HD1      PHE  65  -3.517  -3.054   6.872
  482    HD2  PHE  65           HD2      PHE  65  -1.253  -1.472  10.115
  483    HE1  PHE  65           HE1      PHE  65  -3.547  -0.851   5.791
  484    HE2  PHE  65           HE2      PHE  65  -1.205   0.741   9.013
  485    HZ   PHE  65           HZ       PHE  65  -2.377   1.045   6.848
  486    H    GLY  66           HN       GLY  66  -5.381  -6.376   9.388
  487   1HA   GLY  66           HAR      GLY  66  -5.665  -8.226  10.740
  488   2HA   GLY  66           HAS      GLY  66  -3.882  -8.190  10.802
  489    H    ARG  67           HN       ARG  67  -6.814  -6.824  12.308
  490    HA   ARG  67           HA       ARG  67  -6.058  -7.716  14.886
  491   1HB   ARG  67           HBS      ARG  67  -5.254  -4.939  14.195
  492   2HB   ARG  67           HBR      ARG  67  -6.112  -5.161  15.747
  493   1HG   ARG  67           HGS      ARG  67  -4.271  -7.166  15.879
  494   2HG   ARG  67           HGR      ARG  67  -3.372  -5.939  14.940
  495   1HD   ARG  67           HDS      ARG  67  -3.264  -4.502  16.660
  496   2HD   ARG  67           HDR      ARG  67  -4.866  -4.968  17.296
  497    HE   ARG  67           HE       ARG  67  -3.650  -7.085  18.078
  498   1HH1  ARG  67           HH1      ARG  67  -2.254  -3.850  18.000
  499   2HH1  ARG  67           HH1      ARG  67  -0.995  -4.248  19.120
  500   1HH2  ARG  67           HH2      ARG  67  -1.920  -7.602  19.446
  501   2HH2  ARG  67           HH2      ARG  67  -0.809  -6.370  19.944
  502    H    GLY  68           HN       GLY  68  -8.259  -7.655  12.988
  503   1HA   GLY  68           HAR      GLY  68 -10.411  -8.208  14.013
  504   2HA   GLY  68           HAS      GLY  68 -10.329  -6.662  14.899
  505    H    GLY  69           HN       GLY  69 -11.116  -8.257  11.924
  506   1HA   GLY  69           HAR      GLY  69 -12.595  -6.026  10.810
  507   2HA   GLY  69           HAS      GLY  69 -10.999  -6.237  10.041
  508    H    ALA  70           HN       ALA  70 -13.883  -6.697   9.174
  509    HA   ALA  70           HA       ALA  70 -14.978  -8.095   7.724
  510   1HB   ALA  70           HMB      ALA  70 -12.674  -8.319   6.691
  511   2HB   ALA  70           HMB      ALA  70 -12.497  -9.818   7.639
  512   3HB   ALA  70           HMB      ALA  70 -13.802  -9.674   6.433
  513    H    GLU  71           HN       GLU  71 -14.772 -10.921   7.537
  514    HA   GLU  71           HA       GLU  71 -15.963 -12.674   8.409
  515   1HB   GLU  71           HBS      GLU  71 -14.111 -11.732  10.364
  516   2HB   GLU  71           HBR      GLU  71 -15.462 -12.277  11.196
  517   1HG   GLU  71           HGS      GLU  71 -15.002 -14.476  10.712
  518   2HG   GLU  71           HGR      GLU  71 -14.544 -14.143   9.020
  519    H    SER  72           HN       SER  72 -17.880 -11.537   7.795
  520    HA   SER  72           HA       SER  72 -19.334 -10.240  10.049
  521   1HB   SER  72           HBS      SER  72 -18.837  -9.233   7.466
  522   2HB   SER  72           HBR      SER  72 -20.559  -9.706   7.503
  523    HG   SER  72           HG       SER  72 -19.188  -8.247   9.603
  524    H    HIS  73           HN       HIS  73 -19.303 -12.652   7.514
  525    HA   HIS  73           HA       HIS  73 -20.411 -14.639   7.374
  526   1HB   HIS  73           HBR      HIS  73 -20.752 -13.917  10.169
  527   2HB   HIS  73           HBS      HIS  73 -22.222 -14.721   9.545
  528    HD1  HIS  73           HD1      HIS  73 -22.088 -17.212   9.957
  529    HD2  HIS  73           HD2      HIS  73 -18.369 -15.550   9.083
  530    HE1  HIS  73           HE1      HIS  73 -20.471 -19.123   9.831
  531    HE2  HIS  73           HE2      HIS  73 -18.223 -18.126   9.280
  532    H    THR  74           HN       THR  74 -22.714 -12.350   8.899
  533    HA   THR  74           HA       THR  74 -24.621 -11.376   8.115
  534    HB   THR  74           HB       THR  74 -23.619 -12.352   5.379
  535    HG1  THR  74           HG1      THR  74 -22.287 -11.242   5.862
  536   1HG2  THR  74           HMG      THR  74 -26.033 -10.920   6.127
  537   2HG2  THR  74           HMG      THR  74 -25.001  -9.958   5.038
  538   3HG2  THR  74           HMG      THR  74 -25.536 -11.585   4.551
  539    H    PHE  75           HN       PHE  75 -25.934 -12.778   9.265
  540    HA   PHE  75           HA       PHE  75 -27.250 -14.925   7.693
  541   1HB   PHE  75           HBR      PHE  75 -26.698 -15.483  10.067
  542   2HB   PHE  75           HBS      PHE  75 -27.764 -14.148  10.597
  543    HD1  PHE  75           HD2      PHE  75 -30.283 -14.312   9.637
  544    HD2  PHE  75           HD1      PHE  75 -27.511 -17.534   9.925
  545    HE1  PHE  75           HE2      PHE  75 -32.153 -15.926   9.495
  546    HE2  PHE  75           HE1      PHE  75 -29.346 -19.155   9.781
  547    HZ   PHE  75           HZ       PHE  75 -31.663 -18.356   9.506
  548    H    LYS  76           HN       LYS  76 -28.542 -12.604  10.062
  549    HA   LYS  76           HA       LYS  76 -29.546 -10.717   8.302
  550   1HB   LYS  76           HBR      LYS  76 -31.135 -13.091   8.183
  551   2HB   LYS  76           HBS      LYS  76 -32.076 -11.825   9.021
  552   1HG   LYS  76           HGR      LYS  76 -30.826 -11.663   6.252
  553   2HG   LYS  76           HGS      LYS  76 -32.566 -11.725   6.656
  554   1HD   LYS  76           HDS      LYS  76 -32.697  -9.558   7.106
  555   2HD   LYS  76           HDR      LYS  76 -31.204  -9.558   8.003
  556   1HE   LYS  76           HES      LYS  76 -31.354  -8.147   5.859
  557   2HE   LYS  76           HER      LYS  76 -29.891  -9.120   6.181
  558   1HZ   LYS  76           HZB      LYS  76 -31.947 -10.469   4.716
  559   2HZ   LYS  76           HZC      LYS  76 -31.282  -9.205   3.925
  560   3HZ   LYS  76           HZA      LYS  76 -30.335 -10.424   4.459
   
  No H/Q in entry =         560
  Start of MODEL   37
    1    H    PRO   1           HN       PRO   1  15.376   5.124   5.004
    2    HA   PRO   1           HA       PRO   1  13.729   5.031   3.223
    3   1HB   PRO   1           HBR      PRO   1  15.530   4.777   1.137
    4   2HB   PRO   1           HBS      PRO   1  14.306   5.860   1.275
    5   1HG   PRO   1           HGS      PRO   1  16.902   6.442   1.403
    6   2HG   PRO   1           HGR      PRO   1  15.664   7.465   1.852
    7   1HD   PRO   1           HDS      PRO   1  17.411   6.003   3.499
    8   2HD   PRO   1           HDR      PRO   1  16.486   7.320   3.889
    9    H    LYS   2           HN       LYS   2  12.847   3.154   2.790
   10    HA   LYS   2           HA       LYS   2  14.354   0.993   1.794
   11   1HB   LYS   2           HBS      LYS   2  14.059  -0.629   3.654
   12   2HB   LYS   2           HBR      LYS   2  15.266   0.648   3.977
   13   1HG   LYS   2           HGS      LYS   2  14.233   0.921   5.951
   14   2HG   LYS   2           HGR      LYS   2  12.923   1.709   5.026
   15   1HD   LYS   2           HDR      LYS   2  11.984  -0.646   4.743
   16   2HD   LYS   2           HDS      LYS   2  13.128  -1.165   5.951
   17   1HE   LYS   2           HES      LYS   2  11.727  -0.523   7.555
   18   2HE   LYS   2           HER      LYS   2  11.793   1.149   6.931
   19   1HZ   LYS   2           HZA      LYS   2  10.053   0.547   5.388
   20   2HZ   LYS   2           HZB      LYS   2   9.977  -0.967   5.999
   21   3HZ   LYS   2           HZC      LYS   2   9.564   0.311   6.928
   22    H    CYS   3           HN       CYS   3  12.997  -0.206   0.677
   23    HA   CYS   3           HA       CYS   3  10.254   0.536   0.764
   24   1HB   CYS   3           HBS      CYS   3  11.692   0.239  -1.257
   25   2HB   CYS   3           HBR      CYS   3  11.599  -1.525  -0.992
   26    HA   PRO   4           HA       PRO   4   8.599  -3.015   2.832
   27   1HB   PRO   4           HBR      PRO   4   6.046  -2.102   2.315
   28   2HB   PRO   4           HBS      PRO   4   6.824  -2.119   3.761
   29   1HG   PRO   4           HGS      PRO   4   6.204   0.072   2.404
   30   2HG   PRO   4           HGR      PRO   4   7.326   0.008   3.636
   31   1HD   PRO   4           HDS      PRO   4   7.771   0.100   0.844
   32   2HD   PRO   4           HDR      PRO   4   8.760   0.623   2.062
   33    H    LYS   5           HN       LYS   5   7.979  -2.077  -0.344
   34    HA   LYS   5           HA       LYS   5   6.098  -4.207  -0.881
   35   1HB   LYS   5           HBR      LYS   5   6.731  -1.739  -2.035
   36   2HB   LYS   5           HBS      LYS   5   7.239  -2.951  -3.247
   37   1HG   LYS   5           HGS      LYS   5   4.867  -3.988  -2.785
   38   2HG   LYS   5           HGR      LYS   5   4.491  -2.355  -2.162
   39   1HD   LYS   5           HDR      LYS   5   4.414  -1.484  -4.196
   40   2HD   LYS   5           HDS      LYS   5   5.868  -2.283  -4.727
   41   1HE   LYS   5           HES      LYS   5   4.542  -3.498  -6.054
   42   2HE   LYS   5           HER      LYS   5   4.019  -4.336  -4.565
   43   1HZ   LYS   5           HZC      LYS   5   2.648  -1.910  -4.891
   44   2HZ   LYS   5           HZA      LYS   5   2.473  -2.827  -6.231
   45   3HZ   LYS   5           HZB      LYS   5   2.049  -3.424  -4.771
   46    H    CYS   6           HN       CYS   6   9.265  -3.357  -2.346
   47    HA   CYS   6           HA       CYS   6   9.214  -5.963  -3.686
   48   1HB   CYS   6           HBS      CYS   6  11.031  -5.065  -5.053
   49   2HB   CYS   6           HBR      CYS   6   9.566  -4.047  -5.065
   50    H    ASP   7           HN       ASP   7  10.872  -4.371  -1.095
   51    HA   ASP   7           HA       ASP   7  12.609  -4.930   0.249
   52   1HB   ASP   7           HBS      ASP   7  11.595  -7.325  -0.112
   53   2HB   ASP   7           HBR      ASP   7  13.107  -7.568  -1.034
   54    H    LYS   8           HN       LYS   8  13.104  -3.199  -1.547
   55    HA   LYS   8           HA       LYS   8  15.953  -3.869  -2.095
   56   1HB   LYS   8           HBS      LYS   8  14.154  -2.727  -3.938
   57   2HB   LYS   8           HBR      LYS   8  15.135  -1.372  -3.312
   58   1HG   LYS   8           HGS      LYS   8  16.352  -2.094  -5.168
   59   2HG   LYS   8           HGR      LYS   8  17.170  -2.917  -3.807
   60   1HD   LYS   8           HDS      LYS   8  16.987  -4.639  -5.286
   61   2HD   LYS   8           HDR      LYS   8  15.529  -4.844  -4.354
   62   1HE   LYS   8           HES      LYS   8  14.138  -4.128  -6.031
   63   2HE   LYS   8           HER      LYS   8  15.427  -3.174  -6.815
   64   1HZ   LYS   8           HZC      LYS   8  15.386  -6.109  -6.716
   65   2HZ   LYS   8           HZA      LYS   8  14.838  -5.232  -7.981
   66   3HZ   LYS   8           HZB      LYS   8  16.415  -5.168  -7.565
   67    H    GLU   9           HN       GLU   9  16.972  -1.370  -2.180
   68    HA   GLU   9           HA       GLU   9  15.919   0.080   0.211
   69   1HB   GLU   9           HBR      GLU   9  18.588   0.795  -0.803
   70   2HB   GLU   9           HBS      GLU   9  17.936   0.823   0.738
   71   1HG   GLU   9           HGS      GLU   9  18.298  -1.381   1.264
   72   2HG   GLU   9           HGR      GLU   9  18.529  -1.915  -0.422
   73    H    VAL  10           HN       VAL  10  15.776   2.350  -0.028
   74    HA   VAL  10           HA       VAL  10  14.999   2.938  -2.832
   75    HB   VAL  10           HB       VAL  10  13.907   3.890  -0.178
   76   1HG1  VAL  10           HMG      VAL  10  13.894   5.700  -1.940
   77   2HG1  VAL  10           HMG      VAL  10  12.798   4.663  -2.881
   78   3HG1  VAL  10           HMG      VAL  10  12.308   5.246  -1.274
   79   1HG2  VAL  10           HMG      VAL  10  13.389   1.574  -1.485
   80   2HG2  VAL  10           HMG      VAL  10  12.260   2.404  -0.393
   81   3HG2  VAL  10           HMG      VAL  10  12.121   2.640  -2.149
   82    H    TYR  11           HN       TYR  11  16.088   4.340  -3.934
   83    HA   TYR  11           HA       TYR  11  18.446   5.337  -2.586
   84   1HB   TYR  11           HBR      TYR  11  18.529   3.941  -4.638
   85   2HB   TYR  11           HBS      TYR  11  17.752   5.264  -5.551
   86    HD1  TYR  11           HD2      TYR  11  20.804   4.379  -3.613
   87    HD2  TYR  11           HD1      TYR  11  19.097   6.913  -6.571
   88    HE1  TYR  11           HE2      TYR  11  23.035   5.262  -4.134
   89    HE2  TYR  11           HE1      TYR  11  21.324   7.806  -7.101
   90    HH   TYR  11           HH       TYR  11  23.507   7.525  -6.857
   91    H    PHE  12           HN       PHE  12  16.381   6.891  -1.790
   92    HA   PHE  12           HA       PHE  12  16.094   9.102  -1.277
   93   1HB   PHE  12           HBR      PHE  12  18.663   9.302  -2.759
   94   2HB   PHE  12           HBS      PHE  12  17.621  10.752  -2.830
   95    HD1  PHE  12           HD1      PHE  12  19.368   8.395  -0.659
   96    HD2  PHE  12           HD2      PHE  12  17.390  12.165  -0.834
   97    HE1  PHE  12           HE1      PHE  12  20.284   8.955   1.548
   98    HE2  PHE  12           HE2      PHE  12  18.294  12.751   1.392
   99    HZ   PHE  12           HZ       PHE  12  19.759  11.135   2.571
  100    H    ALA  13           HN       ALA  13  17.199   9.731  -4.573
  101    HA   ALA  13           HA       ALA  13  14.973  11.207  -5.025
  102   1HB   ALA  13           HMB      ALA  13  17.343  11.252  -6.045
  103   2HB   ALA  13           HMB      ALA  13  16.691  10.139  -7.273
  104   3HB   ALA  13           HMB      ALA  13  15.994  11.769  -7.087
  105    H    GLU  14           HN       GLU  14  15.084   7.897  -5.325
  106    HA   GLU  14           HA       GLU  14  12.815   7.810  -7.228
  107   1HB   GLU  14           HBS      GLU  14  14.727   5.932  -5.970
  108   2HB   GLU  14           HBR      GLU  14  13.292   5.267  -6.533
  109   1HG   GLU  14           HGS      GLU  14  14.693   7.111  -8.399
  110   2HG   GLU  14           HGR      GLU  14  15.628   5.630  -8.055
  111    H    ARG  15           HN       ARG  15  12.842   8.791  -4.290
  112    HA   ARG  15           HA       ARG  15  11.545   6.629  -2.825
  113   1HB   ARG  15           HBR      ARG  15  11.683   8.019  -0.898
  114   2HB   ARG  15           HBS      ARG  15  13.235   8.130  -1.776
  115   1HG   ARG  15           HGS      ARG  15  12.508  10.315  -2.706
  116   2HG   ARG  15           HGR      ARG  15  11.017  10.205  -1.729
  117   1HD   ARG  15           HDR      ARG  15  12.640   9.863   0.252
  118   2HD   ARG  15           HDS      ARG  15  13.861  10.555  -0.852
  119    HE   ARG  15           HE       ARG  15  12.982  12.597  -0.290
  120   1HH1  ARG  15           HH1      ARG  15  10.422  10.204   0.098
  121   2HH1  ARG  15           HH1      ARG  15   9.205  11.396   0.403
  122   1HH2  ARG  15           HH2      ARG  15  11.336  14.131  -0.022
  123   2HH2  ARG  15           HH2      ARG  15   9.721  13.620   0.337
  124    H    VAL  16           HN       VAL  16   9.534   6.696  -1.847
  125    HA   VAL  16           HA       VAL  16   8.027   9.150  -1.932
  126    HB   VAL  16           HB       VAL  16   5.962   8.307  -2.794
  127   1HG1  VAL  16           HMG      VAL  16   7.651   9.249  -4.389
  128   2HG1  VAL  16           HMG      VAL  16   8.083   7.578  -4.825
  129   3HG1  VAL  16           HMG      VAL  16   6.433   8.178  -5.124
  130   1HG2  VAL  16           HMG      VAL  16   6.133   5.978  -2.097
  131   2HG2  VAL  16           HMG      VAL  16   5.706   6.111  -3.821
  132   3HG2  VAL  16           HMG      VAL  16   7.369   5.682  -3.345
  133    H    THR  17           HN       THR  17   7.262   9.480   0.004
  134    HA   THR  17           HA       THR  17   7.839   7.326   1.929
  135    HB   THR  17           HB       THR  17   7.570  10.366   2.287
  136    HG1  THR  17           HG1      THR  17   9.587   8.549   2.411
  137   1HG2  THR  17           HMG      THR  17   7.416   8.361   4.285
  138   2HG2  THR  17           HMG      THR  17   9.010   9.143   4.433
  139   3HG2  THR  17           HMG      THR  17   7.527  10.130   4.479
  140    H    SER  18           HN       SER  18   6.466   6.597   3.445
  141    HA   SER  18           HA       SER  18   3.816   7.474   3.934
  142   1HB   SER  18           HBR      SER  18   3.573   7.040   1.497
  143   2HB   SER  18           HBS      SER  18   3.982   5.327   1.808
  144    HG   SER  18           HG       SER  18   1.629   6.434   1.766
  145    H    LEU  19           HN       LEU  19   2.918   6.317   5.516
  146    HA   LEU  19           HA       LEU  19   2.831   4.908   7.309
  147   1HB   LEU  19           HBR      LEU  19   4.039   3.014   5.273
  148   2HB   LEU  19           HBS      LEU  19   3.473   2.533   6.898
  149    HG   LEU  19           HG       LEU  19   1.792   1.906   5.359
  150   1HD1  LEU  19           HMD      LEU  19   1.130   4.489   6.790
  151   2HD1  LEU  19           HMD      LEU  19  -0.092   3.516   5.935
  152   3HD1  LEU  19           HMD      LEU  19   0.798   2.818   7.311
  153   1HD2  LEU  19           HMD      LEU  19   2.808   3.787   3.737
  154   2HD2  LEU  19           HMD      LEU  19   1.183   3.089   3.513
  155   3HD2  LEU  19           HMD      LEU  19   1.372   4.666   4.320
  156    H    GLY  20           HN       GLY  20   5.198   6.623   6.602
  157   1HA   GLY  20           HAR      GLY  20   6.672   7.384   8.248
  158   2HA   GLY  20           HAS      GLY  20   6.605   5.784   9.035
  159    H    LYS  21           HN       LYS  21   7.064   4.735   6.106
  160    HA   LYS  21           HA       LYS  21  10.000   5.064   6.105
  161   1HB   LYS  21           HBS      LYS  21   8.542   2.420   6.314
  162   2HB   LYS  21           HBR      LYS  21  10.167   2.567   5.583
  163   1HG   LYS  21           HGS      LYS  21   9.447   3.408   8.419
  164   2HG   LYS  21           HGR      LYS  21  10.218   1.858   7.972
  165   1HD   LYS  21           HDS      LYS  21  12.222   2.810   7.882
  166   2HD   LYS  21           HDR      LYS  21  11.644   4.048   6.803
  167   1HE   LYS  21           HES      LYS  21  10.618   5.083   8.993
  168   2HE   LYS  21           HER      LYS  21  11.892   4.095   9.760
  169   1HZ   LYS  21           HZB      LYS  21  12.562   5.809   7.504
  170   2HZ   LYS  21           HZC      LYS  21  12.398   6.474   8.987
  171   3HZ   LYS  21           HZA      LYS  21  13.508   5.301   8.736
  172    H    ASP  22           HN       ASP  22  10.883   4.928   4.094
  173    HA   ASP  22           HA       ASP  22   9.064   5.977   2.203
  174   1HB   ASP  22           HBS      ASP  22  11.930   5.261   1.625
  175   2HB   ASP  22           HBR      ASP  22  10.910   6.509   0.854
  176    H    TRP  23           HN       TRP  23   9.153   5.375  -0.161
  177    HA   TRP  23           HA       TRP  23   9.418   2.447  -0.611
  178   1HB   TRP  23           HBR      TRP  23   7.199   4.309  -1.485
  179   2HB   TRP  23           HBS      TRP  23   7.327   2.559  -1.863
  180    HD1  TRP  23           HD1      TRP  23   6.806   4.966   1.116
  181    HE1  TRP  23           HE1      TRP  23   5.133   3.878   2.739
  182    HE3  TRP  23           HE3      TRP  23   6.297   0.488  -1.236
  183    HZ2  TRP  23           HZ2      TRP  23   3.668   1.489   2.871
  184    HZ3  TRP  23           HZ3      TRP  23   4.800  -1.190  -0.255
  185    HH2  TRP  23           HH2      TRP  23   3.419  -0.664   1.686
  186    H    HIS  24           HN       ZHI  24   9.216   1.994  -3.048
  187    HA   HIS  24           HA       ZHI  24  10.706   3.983  -4.613
  188   1HB   HIS  24           HBS      ZHI  24   9.725   1.219  -5.453
  189   2HB   HIS  24           HBR      ZHI  24  10.813   2.294  -6.378
  190    HD2  HIS  24           HD2      ZHI  24  13.081   3.053  -4.411
  191    HE1  HIS  24           HE1      ZHI  24  12.987  -0.708  -2.588
  192    HE2  HIS  24           HE2      ZHI  24  14.460   1.254  -3.159
  193    H    ARG  25           HN       ARG  25  10.005   4.992  -6.430
  194    HA   ARG  25           HA       ARG  25   7.244   5.724  -6.562
  195   1HB   ARG  25           HBS      ARG  25   9.346   7.006  -7.411
  196   2HB   ARG  25           HBR      ARG  25   9.149   6.009  -8.881
  197   1HG   ARG  25           HGR      ARG  25   6.714   6.886  -8.887
  198   2HG   ARG  25           HGS      ARG  25   7.320   8.128  -7.754
  199   1HD   ARG  25           HDS      ARG  25   7.657   9.213  -9.705
  200   2HD   ARG  25           HDR      ARG  25   9.211   8.343  -9.583
  201    HE   ARG  25           HE       ARG  25   8.578   6.990 -11.372
  202   1HH1  ARG  25           HH1      ARG  25   5.991   9.228 -10.512
  203   2HH1  ARG  25           HH1      ARG  25   4.995   8.759 -11.849
  204   1HH2  ARG  25           HH2      ARG  25   7.192   6.312 -13.032
  205   2HH2  ARG  25           HH2      ARG  25   5.674   7.111 -13.276
  206    HA   PRO  26           HA       PRO  26   7.308   2.678 -10.378
  207   1HB   PRO  26           HBS      PRO  26   9.255   0.829 -10.088
  208   2HB   PRO  26           HBR      PRO  26   9.215   1.996 -11.243
  209   1HG   PRO  26           HGS      PRO  26  10.783   1.861  -8.938
  210   2HG   PRO  26           HGR      PRO  26  11.031   2.789 -10.302
  211   1HD   PRO  26           HDS      PRO  26  10.171   3.735  -7.955
  212   2HD   PRO  26           HDR      PRO  26  10.031   4.526  -9.401
  213    H    CYS  27           HN       CYS  27   7.820   2.093  -7.136
  214    HA   CYS  27           HA       CYS  27   6.320  -0.416  -7.203
  215   1HB   CYS  27           HBS      CYS  27   7.918   1.101  -5.196
  216   2HB   CYS  27           HBR      CYS  27   6.630   0.015  -4.600
  217    H    LEU  28           HN       LEU  28   5.986   2.676  -5.415
  218    HA   LEU  28           HA       LEU  28   3.539   1.901  -4.240
  219   1HB   LEU  28           HBS      LEU  28   5.355   3.602  -3.563
  220   2HB   LEU  28           HBR      LEU  28   4.462   4.750  -4.599
  221    HG   LEU  28           HG       LEU  28   2.478   3.748  -2.983
  222   1HD1  LEU  28           HMD      LEU  28   4.929   3.103  -1.712
  223   2HD1  LEU  28           HMD      LEU  28   4.247   4.503  -0.846
  224   3HD1  LEU  28           HMD      LEU  28   3.281   3.018  -1.039
  225   1HD2  LEU  28           HMD      LEU  28   3.559   6.137  -3.696
  226   2HD2  LEU  28           HMD      LEU  28   2.276   5.943  -2.477
  227   3HD2  LEU  28           HMD      LEU  28   3.976   6.092  -1.965
  228    H    LYS  29           HN       LYS  29   2.075   1.224  -5.746
  229    HA   LYS  29           HA       LYS  29   0.447   3.424  -6.738
  230   1HB   LYS  29           HBS      LYS  29  -0.002   2.329  -8.924
  231   2HB   LYS  29           HBR      LYS  29   1.638   3.025  -8.774
  232   1HG   LYS  29           HGR      LYS  29   1.350   0.144  -8.064
  233   2HG   LYS  29           HGS      LYS  29   1.138   0.564  -9.788
  234   1HD   LYS  29           HDR      LYS  29   3.463   1.699  -8.337
  235   2HD   LYS  29           HDS      LYS  29   3.508  -0.007  -8.691
  236   1HE   LYS  29           HER      LYS  29   2.690   1.748 -10.919
  237   2HE   LYS  29           HES      LYS  29   4.375   1.939 -10.357
  238   1HZ   LYS  29           HZB      LYS  29   4.357  -0.606 -10.522
  239   2HZ   LYS  29           HZC      LYS  29   3.085  -0.396 -11.525
  240   3HZ   LYS  29           HZA      LYS  29   4.529   0.276 -11.885
  241    H    CYS  30           HN       CYS  30  -1.695   2.554  -7.496
  242    HA   CYS  30           HA       CYS  30  -2.822   0.577  -5.757
  243   1HB   CYS  30           HBS      CYS  30  -3.898   2.502  -7.233
  244   2HB   CYS  30           HBR      CYS  30  -4.063   1.160  -8.400
  245    H    GLU  31           HN       GLU  31  -3.485  -1.511  -6.195
  246    HA   GLU  31           HA       GLU  31  -2.662  -2.670  -8.813
  247   1HB   GLU  31           HBR      GLU  31  -2.651  -3.915  -6.060
  248   2HB   GLU  31           HBS      GLU  31  -2.813  -4.829  -7.458
  249   1HG   GLU  31           HGS      GLU  31  -0.431  -3.221  -6.651
  250   2HG   GLU  31           HGR      GLU  31  -0.453  -4.958  -7.063
  251    H    LYS  32           HN       LYS  32  -5.024  -1.180  -7.820
  252    HA   LYS  32           HA       LYS  32  -7.065  -3.276  -8.384
  253   1HB   LYS  32           HBS      LYS  32  -7.260  -1.790  -6.209
  254   2HB   LYS  32           HBR      LYS  32  -7.834  -0.560  -7.373
  255   1HG   LYS  32           HGR      LYS  32  -9.873  -1.457  -7.149
  256   2HG   LYS  32           HGS      LYS  32  -9.258  -2.871  -8.050
  257   1HD   LYS  32           HDR      LYS  32  -8.394  -3.610  -5.708
  258   2HD   LYS  32           HDS      LYS  32  -9.600  -2.513  -5.094
  259   1HE   LYS  32           HER      LYS  32 -10.386  -4.828  -5.248
  260   2HE   LYS  32           HES      LYS  32 -11.354  -3.726  -6.267
  261   1HZ   LYS  32           HZA      LYS  32  -9.087  -5.153  -7.413
  262   2HZ   LYS  32           HZB      LYS  32 -10.512  -5.928  -7.224
  263   3HZ   LYS  32           HZC      LYS  32 -10.428  -4.586  -8.149
  264    H    CYS  33           HN       CYS  33  -6.571   0.264  -8.699
  265    HA   CYS  33           HA       CYS  33  -7.971   0.096 -11.253
  266   1HB   CYS  33           HBS      CYS  33  -8.257   2.500 -11.028
  267   2HB   CYS  33           HBR      CYS  33  -8.793   1.599  -9.582
  268    H    GLY  34           HN       GLY  34  -4.903   1.466 -10.033
  269   1HA   GLY  34           HAR      GLY  34  -2.890   0.909 -11.183
  270   2HA   GLY  34           HAS      GLY  34  -3.777   0.946 -12.731
  271    H    LYS  35           HN       LYS  35  -3.421   3.220  -9.976
  272    HA   LYS  35           HA       LYS  35  -1.963   5.063 -11.792
  273   1HB   LYS  35           HBR      LYS  35  -4.134   5.827  -9.818
  274   2HB   LYS  35           HBS      LYS  35  -2.955   6.977 -10.509
  275   1HG   LYS  35           HGS      LYS  35  -4.269   5.406 -12.588
  276   2HG   LYS  35           HGR      LYS  35  -5.453   6.275 -11.570
  277   1HD   LYS  35           HDS      LYS  35  -3.523   8.179 -12.021
  278   2HD   LYS  35           HDR      LYS  35  -3.432   7.243 -13.488
  279   1HE   LYS  35           HER      LYS  35  -5.982   8.398 -12.389
  280   2HE   LYS  35           HES      LYS  35  -4.974   9.165 -13.649
  281   1HZ   LYS  35           HZA      LYS  35  -5.299   7.111 -14.938
  282   2HZ   LYS  35           HZB      LYS  35  -6.375   6.590 -13.826
  283   3HZ   LYS  35           HZC      LYS  35  -6.681   7.944 -14.686
  284    H    THR  36           HN       THR  36  -0.118   5.779 -10.976
  285    HA   THR  36           HA       THR  36   0.983   4.906  -8.538
  286    HB   THR  36           HB       THR  36   1.761   7.460 -10.050
  287    HG1  THR  36           HG1      THR  36   2.512   4.855 -10.236
  288   1HG2  THR  36           HMG      THR  36   2.826   7.008  -7.794
  289   2HG2  THR  36           HMG      THR  36   3.602   5.592  -8.550
  290   3HG2  THR  36           HMG      THR  36   3.933   7.230  -9.173
  291    H    LEU  37           HN       LEU  37   1.506   6.051  -6.635
  292    HA   LEU  37           HA       LEU  37  -0.821   7.705  -5.824
  293   1HB   LEU  37           HBS      LEU  37   0.902   5.787  -4.226
  294   2HB   LEU  37           HBR      LEU  37  -0.613   6.575  -3.699
  295    HG   LEU  37           HG       LEU  37  -0.596   4.730  -6.071
  296   1HD1  LEU  37           HMD      LEU  37   0.485   3.542  -4.175
  297   2HD1  LEU  37           HMD      LEU  37  -0.942   3.904  -3.171
  298   3HD1  LEU  37           HMD      LEU  37  -1.105   2.866  -4.610
  299   1HD2  LEU  37           HMD      LEU  37  -2.479   6.212  -4.420
  300   2HD2  LEU  37           HMD      LEU  37  -2.724   5.408  -5.991
  301   3HD2  LEU  37           HMD      LEU  37  -2.882   4.477  -4.479
  302    H    THR  38           HN       THR  38  -0.539   9.175  -4.040
  303    HA   THR  38           HA       THR  38   1.689  10.961  -4.610
  304    HB   THR  38           HB       THR  38  -0.618  11.128  -2.590
  305    HG1  THR  38           HG1      THR  38  -1.536  11.895  -3.936
  306   1HG2  THR  38           HMG      THR  38   1.425  13.251  -3.300
  307   2HG2  THR  38           HMG      THR  38  -0.043  13.500  -2.321
  308   3HG2  THR  38           HMG      THR  38   1.252  12.431  -1.728
  309    H    SER  39           HN       SER  39   2.947  11.897  -2.793
  310    HA   SER  39           HA       SER  39   4.297   9.916  -1.210
  311   1HB   SER  39           HBR      SER  39   4.262  12.939  -0.970
  312   2HB   SER  39           HBS      SER  39   5.352  11.825  -0.096
  313    HG   SER  39           HG       SER  39   6.473  11.316  -1.784
  314    H    GLY  40           HN       GLY  40   2.472   8.850  -0.276
  315   1HA   GLY  40           HAR      GLY  40   1.450   8.256   1.699
  316   2HA   GLY  40           HAS      GLY  40   2.090   9.757   2.420
  317    H    GLY  41           HN       GLY  41  -0.154   9.109  -0.300
  318   1HA   GLY  41           HAR      GLY  41  -2.387  10.149   1.382
  319   2HA   GLY  41           HAS      GLY  41  -2.215  10.682  -0.310
  320    H    HIS  42           HN       HIS  42  -1.068   7.562  -0.188
  321    HA   HIS  42           HA       HIS  42  -3.606   6.415  -1.009
  322   1HB   HIS  42           HBS      HIS  42  -2.314   4.455  -1.673
  323   2HB   HIS  42           HBR      HIS  42  -1.555   5.948  -2.299
  324    HD1  HIS  42           HD1      HIS  42  -0.543   2.849  -0.844
  325    HD2  HIS  42           HD2      HIS  42   0.570   6.832  -0.344
  326    HE1  HIS  42           HE1      HIS  42   1.734   2.824   0.205
  327    HE2  HIS  42           HE2      HIS  42   2.489   5.228   0.322
  328    H    ALA  43           HN       ALA  43  -3.403   3.797  -0.376
  329    HA   ALA  43           HA       ALA  43  -3.038   3.609   2.558
  330   1HB   ALA  43           HMB      ALA  43  -5.500   3.820   1.892
  331   2HB   ALA  43           HMB      ALA  43  -5.315   2.202   1.169
  332   3HB   ALA  43           HMB      ALA  43  -5.029   2.437   2.913
  333    H    GLU  44           HN       GLU  44  -3.007   1.235   3.194
  334    HA   GLU  44           HA       GLU  44  -1.676  -0.455   1.137
  335   1HB   GLU  44           HBR      GLU  44   0.296  -0.555   2.414
  336   2HB   GLU  44           HBS      GLU  44  -0.098   1.047   2.102
  337   1HG   GLU  44           HGS      GLU  44   0.014   1.639   4.197
  338   2HG   GLU  44           HGR      GLU  44  -1.331   0.549   4.633
  339    H    HIS  45           HN       HIS  45  -1.761  -2.605   1.549
  340    HA   HIS  45           HA       HIS  45  -2.693  -3.487   4.192
  341   1HB   HIS  45           HBS      HIS  45  -4.664  -3.882   2.711
  342   2HB   HIS  45           HBR      HIS  45  -3.619  -4.824   1.606
  343    HD1  HIS  45           HD1      HIS  45  -4.879  -4.998   5.240
  344    HD2  HIS  45           HD2      HIS  45  -3.067  -7.369   2.337
  345    HE1  HIS  45           HE1      HIS  45  -4.796  -7.322   6.177
  346    HE2  HIS  45           HE2      HIS  45  -3.743  -8.772   4.406
  347    H    GLU  46           HN       GLU  46  -1.052  -4.527   5.027
  348    HA   GLU  46           HA       GLU  46   1.095  -5.261   5.254
  349   1HB   GLU  46           HBS      GLU  46   0.037  -6.729   3.116
  350   2HB   GLU  46           HBR      GLU  46   1.531  -6.231   2.540
  351   1HG   GLU  46           HGR      GLU  46   2.052  -8.335   3.630
  352   2HG   GLU  46           HGS      GLU  46   2.429  -7.101   4.863
  353    H    GLY  47           HN       GLY  47   2.987  -5.209   2.913
  354   1HA   GLY  47           HAR      GLY  47   3.103  -2.269   2.436
  355   2HA   GLY  47           HAS      GLY  47   4.449  -3.415   2.201
  356    H    LYS  48           HN       LYS  48   1.142  -4.150   1.245
  357    HA   LYS  48           HA       LYS  48   1.826  -3.685  -1.620
  358   1HB   LYS  48           HBR      LYS  48  -0.313  -5.371  -0.285
  359   2HB   LYS  48           HBS      LYS  48  -0.301  -4.981  -2.028
  360   1HG   LYS  48           HGS      LYS  48   1.829  -6.532  -0.505
  361   2HG   LYS  48           HGR      LYS  48   0.626  -7.207  -1.643
  362   1HD   LYS  48           HDS      LYS  48   1.688  -5.564  -3.342
  363   2HD   LYS  48           HDR      LYS  48   2.972  -5.397  -2.177
  364   1HE   LYS  48           HER      LYS  48   2.246  -8.170  -2.806
  365   2HE   LYS  48           HES      LYS  48   2.960  -7.233  -4.148
  366   1HZ   LYS  48           HZA      LYS  48   4.256  -7.041  -1.579
  367   2HZ   LYS  48           HZB      LYS  48   4.406  -8.467  -2.360
  368   3HZ   LYS  48           HZC      LYS  48   4.906  -7.087  -3.076
  369    HA   PRO  49           HA       PRO  49  -0.617  -0.081  -0.493
  370   1HB   PRO  49           HBR      PRO  49   0.394   1.468  -2.423
  371   2HB   PRO  49           HBS      PRO  49   0.979   1.391  -0.890
  372   1HG   PRO  49           HGS      PRO  49   2.067   0.304  -3.222
  373   2HG   PRO  49           HGR      PRO  49   2.841   0.675  -1.791
  374   1HD   PRO  49           HDS      PRO  49   2.188  -1.801  -2.591
  375   2HD   PRO  49           HDR      PRO  49   2.611  -1.378  -1.048
  376    H    TYR  50           HN       TYR  50  -2.443   0.915  -1.152
  377    HA   TYR  50           HA       TYR  50  -3.021   0.836  -3.989
  378   1HB   TYR  50           HBR      TYR  50  -5.192  -0.158  -2.113
  379   2HB   TYR  50           HBS      TYR  50  -5.237  -0.045  -3.895
  380    HD1  TYR  50           HD1      TYR  50  -3.259  -1.753  -1.179
  381    HD2  TYR  50           HD2      TYR  50  -4.997  -2.015  -5.052
  382    HE1  TYR  50           HE1      TYR  50  -2.683  -4.140  -1.270
  383    HE2  TYR  50           HE2      TYR  50  -4.461  -4.407  -5.140
  384    HH   TYR  50           HH       TYR  50  -2.320  -5.855  -2.738
  385    H    CYS  51           HN       CYS  51  -5.338   2.028  -4.184
  386    HA   CYS  51           HA       CYS  51  -5.303   4.550  -3.138
  387   1HB   CYS  51           HBS      CYS  51  -7.701   2.863  -3.879
  388   2HB   CYS  51           HBR      CYS  51  -7.784   4.605  -3.495
  389    H    ASN  52           HN       ASN  52  -7.294   5.429  -1.775
  390    HA   ASN  52           HA       ASN  52  -7.457   3.872   0.741
  391   1HB   ASN  52           HBS      ASN  52  -6.992   6.613   0.344
  392   2HB   ASN  52           HBR      ASN  52  -8.649   6.461   0.994
  393   1HD2  ASN  52           HD2      ASN  52  -5.480   6.155   3.424
  394   2HD2  ASN  52           HD2      ASN  52  -5.432   6.777   1.809
  395    H    HIS  53           HN       HIS  53  -9.263   5.382  -1.874
  396    HA   HIS  53           HA       HIS  53 -11.211   3.258  -1.732
  397   1HB   HIS  53           HBS      HIS  53 -12.049   6.062  -0.922
  398   2HB   HIS  53           HBR      HIS  53 -13.175   4.956  -1.760
  399    HD1  HIS  53           HD1      HIS  53 -14.101   2.933  -0.373
  400    HD2  HIS  53           HD2      HIS  53 -11.489   5.421   1.710
  401    HE1  HIS  53           HE1      HIS  53 -14.421   2.415   2.058
  402    HE2  HIS  53           HE2      HIS  53 -12.850   3.925   3.324
  403    HA   PRO  54           HA       PRO  54 -13.309   3.283  -2.430
  404   1HB   PRO  54           HBR      PRO  54 -14.457   1.892  -4.400
  405   2HB   PRO  54           HBS      PRO  54 -15.067   3.274  -3.756
  406   1HG   PRO  54           HGR      PRO  54 -13.952   2.924  -6.268
  407   2HG   PRO  54           HGS      PRO  54 -14.803   4.231  -5.676
  408   1HD   PRO  54           HDS      PRO  54 -12.081   4.031  -6.019
  409   2HD   PRO  54           HDR      PRO  54 -12.928   5.334  -5.451
  410    H    CYS  55           HN       CYS  55 -10.706   2.480  -4.168
  411    HA   CYS  55           HA       CYS  55 -11.026  -0.209  -4.682
  412   1HB   CYS  55           HBS      CYS  55  -8.417   1.207  -4.079
  413   2HB   CYS  55           HBR      CYS  55  -8.621  -0.334  -4.961
  414    H    TYR  56           HN       TYR  56  -9.475   1.273  -1.827
  415    HA   TYR  56           HA       TYR  56  -8.364  -1.109  -0.823
  416   1HB   TYR  56           HBR      TYR  56  -7.592   1.097  -0.136
  417   2HB   TYR  56           HBS      TYR  56  -9.160   1.427   0.655
  418    HD1  TYR  56           HD2      TYR  56  -6.865  -1.535   0.723
  419    HD2  TYR  56           HD1      TYR  56  -8.802   1.508   2.975
  420    HE1  TYR  56           HE2      TYR  56  -6.070  -2.577   2.798
  421    HE2  TYR  56           HE1      TYR  56  -7.987   0.492   5.060
  422    HH   TYR  56           HH       TYR  56  -7.505  -1.909   5.760
  423    H    SER  57           HN       SER  57 -11.502   0.436  -0.252
  424    HA   SER  57           HA       SER  57 -12.196  -1.464   1.832
  425   1HB   SER  57           HBS      SER  57 -14.182  -0.217   2.114
  426   2HB   SER  57           HBR      SER  57 -12.857   0.953   1.854
  427    HG   SER  57           HG       SER  57 -13.407   1.173  -0.319
  428    H    ALA  58           HN       ALA  58 -12.446  -1.322  -1.574
  429    HA   ALA  58           HA       ALA  58 -15.032  -2.402  -1.999
  430   1HB   ALA  58           HMB      ALA  58 -13.107  -1.350  -3.579
  431   2HB   ALA  58           HMB      ALA  58 -12.921  -3.082  -3.954
  432   3HB   ALA  58           HMB      ALA  58 -14.500  -2.286  -4.177
  433    H    MET  59           HN       MET  59 -11.820  -3.941  -1.773
  434    HA   MET  59           HA       MET  59 -13.123  -6.589  -1.986
  435   1HB   MET  59           HBS      MET  59 -11.153  -5.693  -3.481
  436   2HB   MET  59           HBR      MET  59 -10.152  -6.207  -2.093
  437   1HG   MET  59           HGR      MET  59 -11.187  -8.460  -2.211
  438   2HG   MET  59           HGS      MET  59 -12.118  -7.957  -3.642
  439   1HE   MET  59           HME      MET  59  -9.048  -9.599  -2.417
  440   2HE   MET  59           HME      MET  59 -10.028 -10.431  -3.650
  441   3HE   MET  59           HME      MET  59  -8.329 -10.021  -3.993
  442    H    PHE  60           HN       PHE  60 -11.115  -4.591   0.102
  443    HA   PHE  60           HA       PHE  60 -10.568  -6.865   1.878
  444   1HB   PHE  60           HBR      PHE  60  -9.384  -4.133   1.515
  445   2HB   PHE  60           HBS      PHE  60  -9.323  -4.856   3.148
  446    HD1  PHE  60           HD1      PHE  60  -8.795  -7.469   3.000
  447    HD2  PHE  60           HD2      PHE  60  -7.357  -4.505   0.297
  448    HE1  PHE  60           HE1      PHE  60  -6.946  -8.959   2.381
  449    HE2  PHE  60           HE2      PHE  60  -5.483  -5.987  -0.342
  450    HZ   PHE  60           HZ       PHE  60  -5.325  -8.246   0.665
  451    H    GLY  61           HN       GLY  61 -13.268  -5.625   1.619
  452   1HA   GLY  61           HAR      GLY  61 -13.712  -4.662   4.385
  453   2HA   GLY  61           HAS      GLY  61 -14.907  -4.691   3.058
  454    HA   PRO  62           HA       PRO  62 -15.444  -8.101   6.183
  455   1HB   PRO  62           HBS      PRO  62 -18.085  -7.615   6.521
  456   2HB   PRO  62           HBR      PRO  62 -16.897  -7.224   7.585
  457   1HG   PRO  62           HGS      PRO  62 -18.317  -5.561   5.851
  458   2HG   PRO  62           HGR      PRO  62 -17.432  -5.132   7.199
  459   1HD   PRO  62           HDS      PRO  62 -16.654  -4.718   4.677
  460   2HD   PRO  62           HDR      PRO  62 -15.647  -4.702   5.989
  461    H    LYS  63           HN       LYS  63 -18.438  -7.648   4.516
  462    HA   LYS  63           HA       LYS  63 -18.842 -10.399   4.213
  463   1HB   LYS  63           HBR      LYS  63 -20.302  -8.076   3.704
  464   2HB   LYS  63           HBS      LYS  63 -20.148  -8.863   2.108
  465   1HG   LYS  63           HGR      LYS  63 -21.321 -10.763   2.783
  466   2HG   LYS  63           HGS      LYS  63 -21.006 -10.466   4.517
  467   1HD   LYS  63           HDS      LYS  63 -23.195  -9.904   4.412
  468   2HD   LYS  63           HDR      LYS  63 -22.418  -8.359   4.205
  469   1HE   LYS  63           HES      LYS  63 -23.003  -9.843   1.715
  470   2HE   LYS  63           HER      LYS  63 -24.392  -9.214   2.645
  471   1HZ   LYS  63           HZA      LYS  63 -22.951  -7.095   2.662
  472   2HZ   LYS  63           HZB      LYS  63 -22.243  -7.753   1.345
  473   3HZ   LYS  63           HZC      LYS  63 -23.848  -7.455   1.346
  474    H    GLY  64           HN       GLY  64 -19.315 -11.439   2.032
  475   1HA   GLY  64           HAR      GLY  64 -17.393 -10.604  -0.082
  476   2HA   GLY  64           HAS      GLY  64 -17.483 -12.319   0.406
  477    H    PHE  65           HN       PHE  65 -18.389 -13.272  -1.310
  478    HA   PHE  65           HA       PHE  65 -21.242 -12.751  -1.675
  479   1HB   PHE  65           HBS      PHE  65 -19.745 -11.649  -3.639
  480   2HB   PHE  65           HBR      PHE  65 -19.844 -13.323  -4.255
  481    HD1  PHE  65           HD1      PHE  65 -22.127 -11.033  -2.463
  482    HD2  PHE  65           HD2      PHE  65 -21.611 -13.562  -5.853
  483    HE1  PHE  65           HE1      PHE  65 -24.393 -10.461  -3.208
  484    HE2  PHE  65           HE2      PHE  65 -23.894 -13.005  -6.623
  485    HZ   PHE  65           HZ       PHE  65 -25.258 -11.398  -5.319
  486    H    GLY  66           HN       GLY  66 -22.038 -14.549  -3.334
  487   1HA   GLY  66           HAR      GLY  66 -21.281 -17.100  -2.035
  488   2HA   GLY  66           HAS      GLY  66 -22.684 -16.818  -3.100
  489    H    ARG  67           HN       ARG  67 -19.618 -18.133  -2.882
  490    HA   ARG  67           HA       ARG  67 -18.124 -19.030  -4.366
  491   1HB   ARG  67           HBR      ARG  67 -20.260 -18.742  -6.479
  492   2HB   ARG  67           HBS      ARG  67 -18.995 -19.993  -6.310
  493   1HG   ARG  67           HGS      ARG  67 -21.160 -19.705  -4.232
  494   2HG   ARG  67           HGR      ARG  67 -21.469 -20.583  -5.758
  495   1HD   ARG  67           HDS      ARG  67 -18.946 -21.331  -4.531
  496   2HD   ARG  67           HDR      ARG  67 -20.341 -21.597  -3.447
  497    HE   ARG  67           HE       ARG  67 -19.732 -23.018  -5.917
  498   1HH1  ARG  67           HH1      ARG  67 -22.382 -21.988  -3.832
  499   2HH1  ARG  67           HH1      ARG  67 -23.333 -23.398  -4.163
  500   1HH2  ARG  67           HH2      ARG  67 -20.946 -24.907  -6.222
  501   2HH2  ARG  67           HH2      ARG  67 -22.522 -25.049  -5.515
  502    H    GLY  68           HN       GLY  68 -17.531 -18.755  -6.950
  503   1HA   GLY  68           HAR      GLY  68 -17.881 -16.448  -8.356
  504   2HA   GLY  68           HAS      GLY  68 -16.528 -16.026  -7.273
  505    H    GLY  69           HN       GLY  69 -16.172 -16.038  -9.986
  506   1HA   GLY  69           HAR      GLY  69 -13.751 -17.439 -10.135
  507   2HA   GLY  69           HAS      GLY  69 -14.935 -18.394 -11.063
  508    H    ALA  70           HN       ALA  70 -12.746 -15.853 -11.154
  509    HA   ALA  70           HA       ALA  70 -13.889 -14.755 -13.674
  510   1HB   ALA  70           HMB      ALA  70 -13.558 -13.449 -11.069
  511   2HB   ALA  70           HMB      ALA  70 -12.793 -12.573 -12.420
  512   3HB   ALA  70           HMB      ALA  70 -14.527 -12.978 -12.488
  513    H    GLU  71           HN       GLU  71 -11.106 -14.935 -11.449
  514    HA   GLU  71           HA       GLU  71  -9.271 -13.582 -13.065
  515   1HB   GLU  71           HBS      GLU  71  -9.424 -15.049 -10.680
  516   2HB   GLU  71           HBR      GLU  71  -8.102 -15.715 -11.472
  517   1HG   GLU  71           HGR      GLU  71  -6.884 -13.906 -10.550
  518   2HG   GLU  71           HGS      GLU  71  -7.730 -12.971 -11.813
  519    H    SER  72           HN       SER  72  -7.054 -14.989 -13.486
  520    HA   SER  72           HA       SER  72  -5.933 -16.507 -14.759
  521   1HB   SER  72           HBR      SER  72  -8.268 -18.043 -13.730
  522   2HB   SER  72           HBS      SER  72  -7.331 -18.751 -15.077
  523    HG   SER  72           HG       SER  72  -6.852 -18.996 -12.565
  524    H    HIS  73           HN       HIS  73  -5.593 -16.013 -16.775
  525    HA   HIS  73           HA       HIS  73  -7.444 -17.047 -18.765
  526   1HB   HIS  73           HBR      HIS  73  -6.969 -14.831 -20.165
  527   2HB   HIS  73           HBS      HIS  73  -8.403 -14.995 -19.111
  528    HD1  HIS  73           HD1      HIS  73  -4.849 -14.149 -17.928
  529    HD2  HIS  73           HD2      HIS  73  -8.619 -12.413 -18.281
  530    HE1  HIS  73           HE1      HIS  73  -4.680 -11.875 -16.889
  531    HE2  HIS  73           HE2      HIS  73  -6.952 -10.811 -17.119
  532    H    THR  74           HN       THR  74  -6.454 -17.055 -20.924
  533    HA   THR  74           HA       THR  74  -4.756 -17.727 -22.293
  534    HB   THR  74           HB       THR  74  -2.907 -16.123 -20.443
  535    HG1  THR  74           HG1      THR  74  -4.131 -14.845 -20.811
  536   1HG2  THR  74           HMG      THR  74  -2.248 -17.631 -22.654
  537   2HG2  THR  74           HMG      THR  74  -2.451 -15.995 -23.332
  538   3HG2  THR  74           HMG      THR  74  -1.306 -16.270 -21.995
  539    H    PHE  75           HN       PHE  75  -2.786 -17.541 -19.342
  540    HA   PHE  75           HA       PHE  75  -1.798 -19.120 -18.031
  541   1HB   PHE  75           HBR      PHE  75  -4.468 -20.038 -18.454
  542   2HB   PHE  75           HBS      PHE  75  -3.392 -21.459 -18.571
  543    HD1  PHE  75           HD1      PHE  75  -4.414 -18.617 -16.513
  544    HD2  PHE  75           HD2      PHE  75  -2.380 -22.362 -16.531
  545    HE1  PHE  75           HE1      PHE  75  -4.258 -18.520 -14.066
  546    HE2  PHE  75           HE2      PHE  75  -2.214 -22.291 -14.065
  547    HZ   PHE  75           HZ       PHE  75  -3.106 -20.327 -12.844
  548    H    LYS  76           HN       LYS  76  -0.704 -21.232 -17.982
  549    HA   LYS  76           HA       LYS  76   0.921 -22.599 -18.856
  550   1HB   LYS  76           HBS      LYS  76  -1.499 -23.094 -20.182
  551   2HB   LYS  76           HBR      LYS  76  -0.269 -22.997 -21.476
  552   1HG   LYS  76           HGR      LYS  76   0.046 -24.731 -19.001
  553   2HG   LYS  76           HGS      LYS  76  -0.696 -25.311 -20.518
  554   1HD   LYS  76           HDS      LYS  76   2.060 -24.104 -20.434
  555   2HD   LYS  76           HDR      LYS  76   1.773 -25.784 -20.076
  556   1HE   LYS  76           HES      LYS  76   0.438 -24.994 -22.528
  557   2HE   LYS  76           HER      LYS  76   2.199 -24.691 -22.564
  558   1HZ   LYS  76           HZB      LYS  76   1.975 -27.132 -21.461
  559   2HZ   LYS  76           HZC      LYS  76   0.795 -27.158 -22.589
  560   3HZ   LYS  76           HZA      LYS  76   2.332 -26.831 -23.026
   
  No H/Q in entry =         560
  Start of MODEL   38
    1    H    PRO   1           HN       PRO   1  14.790  -0.213   7.017
    2    HA   PRO   1           HA       PRO   1  12.896   1.197   6.620
    3   1HB   PRO   1           HBS      PRO   1  13.770   2.717   4.557
    4   2HB   PRO   1           HBR      PRO   1  13.398   3.268   6.057
    5   1HG   PRO   1           HGR      PRO   1  15.872   3.128   4.907
    6   2HG   PRO   1           HGS      PRO   1  15.494   3.665   6.441
    7   1HD   PRO   1           HDS      PRO   1  16.610   1.217   5.695
    8   2HD   PRO   1           HDR      PRO   1  16.504   1.874   7.209
    9    H    LYS   2           HN       LYS   2  14.438   1.336   3.571
   10    HA   LYS   2           HA       LYS   2  14.325   0.030   1.693
   11   1HB   LYS   2           HBR      LYS   2  15.182  -1.547   3.622
   12   2HB   LYS   2           HBS      LYS   2  13.590  -2.328   3.401
   13   1HG   LYS   2           HGR      LYS   2  14.079  -2.886   1.126
   14   2HG   LYS   2           HGS      LYS   2  15.542  -1.860   1.121
   15   1HD   LYS   2           HDS      LYS   2  15.118  -4.464   2.573
   16   2HD   LYS   2           HDR      LYS   2  16.180  -4.138   1.231
   17   1HE   LYS   2           HER      LYS   2  16.828  -2.300   3.290
   18   2HE   LYS   2           HES      LYS   2  16.748  -3.940   3.995
   19   1HZ   LYS   2           HZC      LYS   2  18.237  -3.331   1.541
   20   2HZ   LYS   2           HZA      LYS   2  18.918  -3.273   3.025
   21   3HZ   LYS   2           HZB      LYS   2  18.321  -4.681   2.455
   22    H    CYS   3           HN       CYS   3  12.973  -1.252   0.299
   23    HA   CYS   3           HA       CYS   3  10.431  -0.088   0.362
   24   1HB   CYS   3           HBS      CYS   3  11.937  -0.566  -1.601
   25   2HB   CYS   3           HBR      CYS   3  11.354  -2.253  -1.527
   26    HA   PRO   4           HA       PRO   4   7.930  -3.358   2.017
   27   1HB   PRO   4           HBR      PRO   4   5.684  -1.838   1.464
   28   2HB   PRO   4           HBS      PRO   4   6.313  -2.198   2.938
   29   1HG   PRO   4           HGS      PRO   4   6.314   0.216   1.855
   30   2HG   PRO   4           HGR      PRO   4   7.306  -0.255   3.112
   31   1HD   PRO   4           HDS      PRO   4   7.945   0.051   0.369
   32   2HD   PRO   4           HDR      PRO   4   8.942   0.198   1.682
   33    H    LYS   5           HN       LYS   5   8.068  -2.211  -1.073
   34    HA   LYS   5           HA       LYS   5   6.062  -4.101  -2.061
   35   1HB   LYS   5           HBR      LYS   5   6.920  -1.557  -2.823
   36   2HB   LYS   5           HBS      LYS   5   7.577  -2.642  -4.082
   37   1HG   LYS   5           HGR      LYS   5   4.730  -3.074  -3.306
   38   2HG   LYS   5           HGS      LYS   5   5.100  -1.561  -4.184
   39   1HD   LYS   5           HDS      LYS   5   6.346  -3.030  -5.855
   40   2HD   LYS   5           HDR      LYS   5   5.584  -4.388  -5.072
   41   1HE   LYS   5           HER      LYS   5   4.431  -3.581  -7.113
   42   2HE   LYS   5           HES      LYS   5   3.404  -3.672  -5.654
   43   1HZ   LYS   5           HZB      LYS   5   4.654  -1.151  -5.948
   44   2HZ   LYS   5           HZC      LYS   5   3.731  -1.513  -7.247
   45   3HZ   LYS   5           HZA      LYS   5   3.073  -1.509  -5.751
   46    H    CYS   6           HN       CYS   6   9.330  -3.217  -3.240
   47    HA   CYS   6           HA       CYS   6   9.249  -5.701  -4.765
   48   1HB   CYS   6           HBS      CYS   6  11.093  -4.748  -6.043
   49   2HB   CYS   6           HBR      CYS   6   9.673  -3.671  -5.947
   50    H    ASP   7           HN       ASP   7  10.770  -4.558  -1.926
   51    HA   ASP   7           HA       ASP   7  12.404  -5.353  -0.571
   52   1HB   ASP   7           HBS      ASP   7  11.451  -7.632  -1.346
   53   2HB   ASP   7           HBR      ASP   7  12.953  -7.723  -2.308
   54    H    LYS   8           HN       LYS   8  13.051  -3.325  -1.901
   55    HA   LYS   8           HA       LYS   8  15.933  -3.879  -2.068
   56   1HB   LYS   8           HBS      LYS   8  14.436  -2.817  -4.299
   57   2HB   LYS   8           HBR      LYS   8  15.554  -1.578  -3.660
   58   1HG   LYS   8           HGR      LYS   8  17.117  -2.553  -4.943
   59   2HG   LYS   8           HGS      LYS   8  17.126  -3.862  -3.730
   60   1HD   LYS   8           HDR      LYS   8  15.061  -4.662  -5.206
   61   2HD   LYS   8           HDS      LYS   8  15.917  -3.792  -6.447
   62   1HE   LYS   8           HES      LYS   8  17.691  -5.258  -6.442
   63   2HE   LYS   8           HER      LYS   8  17.450  -5.675  -4.722
   64   1HZ   LYS   8           HZA      LYS   8  15.279  -6.426  -6.402
   65   2HZ   LYS   8           HZB      LYS   8  16.676  -7.173  -6.801
   66   3HZ   LYS   8           HZC      LYS   8  16.085  -7.302  -5.284
   67    H    GLU   9           HN       GLU   9  17.166  -1.833  -1.651
   68    HA   GLU   9           HA       GLU   9  15.787  -0.218   0.426
   69   1HB   GLU   9           HBS      GLU   9  18.222   0.803   0.244
   70   2HB   GLU   9           HBR      GLU   9  17.764  -0.357   1.359
   71   1HG   GLU   9           HGS      GLU   9  18.892  -2.094   0.179
   72   2HG   GLU   9           HGR      GLU   9  18.877  -1.220  -1.376
   73    H    VAL  10           HN       VAL  10  15.699   2.013   0.339
   74    HA   VAL  10           HA       VAL  10  15.165   2.774  -2.459
   75    HB   VAL  10           HB       VAL  10  13.838   3.430   0.172
   76   1HG1  VAL  10           HMG      VAL  10  13.879   5.361  -1.585
   77   2HG1  VAL  10           HMG      VAL  10  12.677   4.360  -2.434
   78   3HG1  VAL  10           HMG      VAL  10  12.358   4.919  -0.774
   79   1HG2  VAL  10           HMG      VAL  10  13.567   1.255  -1.454
   80   2HG2  VAL  10           HMG      VAL  10  12.353   1.849  -0.299
   81   3HG2  VAL  10           HMG      VAL  10  12.242   2.313  -2.012
   82    H    TYR  11           HN       TYR  11  16.164   4.357  -3.409
   83    HA   TYR  11           HA       TYR  11  18.146   5.937  -1.907
   84   1HB   TYR  11           HBR      TYR  11  18.295   4.805  -4.350
   85   2HB   TYR  11           HBS      TYR  11  17.658   6.410  -4.810
   86    HD1  TYR  11           HD2      TYR  11  20.088   5.435  -2.140
   87    HD2  TYR  11           HD1      TYR  11  19.490   7.541  -5.786
   88    HE1  TYR  11           HE2      TYR  11  22.413   6.218  -2.060
   89    HE2  TYR  11           HE1      TYR  11  21.817   8.329  -5.720
   90    HH   TYR  11           HH       TYR  11  23.475   8.821  -4.102
   91    H    PHE  12           HN       PHE  12  18.183   8.264  -3.275
   92    HA   PHE  12           HA       PHE  12  16.284   9.611  -1.693
   93   1HB   PHE  12           HBS      PHE  12  18.109  10.780  -3.841
   94   2HB   PHE  12           HBR      PHE  12  17.191  11.717  -2.627
   95    HD1  PHE  12           HD2      PHE  12  19.786   8.954  -2.804
   96    HD2  PHE  12           HD1      PHE  12  18.163  12.304  -0.729
   97    HE1  PHE  12           HE2      PHE  12  21.597   8.787  -1.129
   98    HE2  PHE  12           HE1      PHE  12  19.951  12.159   0.944
   99    HZ   PHE  12           HZ       PHE  12  21.635  10.366   0.782
  100    H    ALA  13           HN       ALA  13  16.740  10.690  -5.027
  101    HA   ALA  13           HA       ALA  13  14.321  11.896  -4.939
  102   1HB   ALA  13           HMB      ALA  13  16.320  11.319  -7.075
  103   2HB   ALA  13           HMB      ALA  13  14.748  11.980  -7.589
  104   3HB   ALA  13           HMB      ALA  13  15.757  12.881  -6.430
  105    H    GLU  14           HN       GLU  14  14.724   8.648  -5.532
  106    HA   GLU  14           HA       GLU  14  12.000   8.448  -6.753
  107   1HB   GLU  14           HBR      GLU  14  13.809   6.102  -6.466
  108   2HB   GLU  14           HBS      GLU  14  12.532   6.386  -7.514
  109   1HG   GLU  14           HGS      GLU  14  14.367   6.474  -8.929
  110   2HG   GLU  14           HGR      GLU  14  13.890   8.183  -8.748
  111    H    ARG  15           HN       ARG  15  12.608   9.217  -4.043
  112    HA   ARG  15           HA       ARG  15  11.633   6.868  -2.543
  113   1HB   ARG  15           HBR      ARG  15  12.099   8.090  -0.556
  114   2HB   ARG  15           HBS      ARG  15  13.504   8.251  -1.647
  115   1HG   ARG  15           HGS      ARG  15  12.441  10.512  -2.328
  116   2HG   ARG  15           HGR      ARG  15  11.470  10.328  -0.840
  117   1HD   ARG  15           HDR      ARG  15  14.448  10.568  -1.149
  118   2HD   ARG  15           HDS      ARG  15  13.323  11.589  -0.208
  119    HE   ARG  15           HE       ARG  15  13.034   9.228   1.038
  120   1HH1  ARG  15           HH1      ARG  15  16.024  10.609  -0.218
  121   2HH1  ARG  15           HH1      ARG  15  16.979  10.020   1.102
  122   1HH2  ARG  15           HH2      ARG  15  14.292   8.580   2.809
  123   2HH2  ARG  15           HH2      ARG  15  15.999   8.871   2.814
  124    H    VAL  16           HN       VAL  16   9.756   6.842  -1.369
  125    HA   VAL  16           HA       VAL  16   8.222   9.267  -1.069
  126    HB   VAL  16           HB       VAL  16   6.110   8.470  -1.867
  127   1HG1  VAL  16           HMG      VAL  16   7.554   9.673  -3.463
  128   2HG1  VAL  16           HMG      VAL  16   8.162   8.115  -4.067
  129   3HG1  VAL  16           HMG      VAL  16   6.444   8.534  -4.263
  130   1HG2  VAL  16           HMG      VAL  16   7.578   5.926  -2.540
  131   2HG2  VAL  16           HMG      VAL  16   6.110   6.154  -1.559
  132   3HG2  VAL  16           HMG      VAL  16   6.045   6.373  -3.324
  133    H    THR  17           HN       THR  17   6.952   9.252   0.739
  134    HA   THR  17           HA       THR  17   7.610   7.002   2.568
  135    HB   THR  17           HB       THR  17   7.152   9.949   3.298
  136    HG1  THR  17           HG1      THR  17   9.156  10.060   3.455
  137   1HG2  THR  17           HMG      THR  17   7.704   7.523   4.869
  138   2HG2  THR  17           HMG      THR  17   8.774   8.903   5.226
  139   3HG2  THR  17           HMG      THR  17   7.008   9.086   5.363
  140    H    SER  18           HN       SER  18   6.111   6.129   3.862
  141    HA   SER  18           HA       SER  18   3.430   6.991   4.222
  142   1HB   SER  18           HBS      SER  18   3.506   6.687   1.701
  143   2HB   SER  18           HBR      SER  18   3.662   4.936   2.020
  144    HG   SER  18           HG       SER  18   1.511   6.654   2.026
  145    H    LEU  19           HN       LEU  19   2.558   5.824   5.767
  146    HA   LEU  19           HA       LEU  19   2.476   4.373   7.527
  147   1HB   LEU  19           HBR      LEU  19   3.533   2.446   5.437
  148   2HB   LEU  19           HBS      LEU  19   2.832   1.999   7.020
  149    HG   LEU  19           HG       LEU  19   1.192   1.585   5.354
  150   1HD1  LEU  19           HMD      LEU  19   0.455   2.727   7.464
  151   2HD1  LEU  19           HMD      LEU  19   0.504   4.274   6.579
  152   3HD1  LEU  19           HMD      LEU  19  -0.621   2.989   6.068
  153   1HD2  LEU  19           HMD      LEU  19   2.334   3.135   3.701
  154   2HD2  LEU  19           HMD      LEU  19   0.553   3.154   3.686
  155   3HD2  LEU  19           HMD      LEU  19   1.451   4.473   4.480
  156    H    GLY  20           HN       GLY  20   4.985   5.894   6.676
  157   1HA   GLY  20           HAS      GLY  20   6.545   6.548   8.291
  158   2HA   GLY  20           HAR      GLY  20   6.376   4.961   9.087
  159    H    LYS  21           HN       LYS  21   6.670   3.843   6.177
  160    HA   LYS  21           HA       LYS  21   9.648   3.810   6.252
  161   1HB   LYS  21           HBS      LYS  21   9.305   1.433   5.235
  162   2HB   LYS  21           HBR      LYS  21   9.275   1.672   7.006
  163   1HG   LYS  21           HGR      LYS  21   6.696   1.745   5.449
  164   2HG   LYS  21           HGS      LYS  21   7.459   0.172   5.824
  165   1HD   LYS  21           HDR      LYS  21   6.859   2.258   7.899
  166   2HD   LYS  21           HDS      LYS  21   5.695   1.049   7.434
  167   1HE   LYS  21           HER      LYS  21   6.699  -0.531   8.643
  168   2HE   LYS  21           HES      LYS  21   8.324  -0.077   8.055
  169   1HZ   LYS  21           HZB      LYS  21   6.821   1.315  10.164
  170   2HZ   LYS  21           HZC      LYS  21   8.076   0.298  10.407
  171   3HZ   LYS  21           HZA      LYS  21   8.313   1.716   9.634
  172    H    ASP  22           HN       ASP  22  10.635   3.956   4.317
  173    HA   ASP  22           HA       ASP  22   9.045   5.410   2.453
  174   1HB   ASP  22           HBS      ASP  22  11.938   4.681   2.065
  175   2HB   ASP  22           HBR      ASP  22  11.034   6.086   1.432
  176    H    TRP  23           HN       TRP  23   9.364   5.158   0.054
  177    HA   TRP  23           HA       TRP  23   9.481   2.312  -0.796
  178   1HB   TRP  23           HBR      TRP  23   7.438   4.391  -1.605
  179   2HB   TRP  23           HBS      TRP  23   7.467   2.656  -2.058
  180    HD1  TRP  23           HD1      TRP  23   6.830   4.969   0.970
  181    HE1  TRP  23           HE1      TRP  23   5.041   3.863   2.450
  182    HE3  TRP  23           HE3      TRP  23   6.487   0.523  -1.476
  183    HZ2  TRP  23           HZ2      TRP  23   3.596   1.459   2.467
  184    HZ3  TRP  23           HZ3      TRP  23   4.966  -1.186  -0.591
  185    HH2  TRP  23           HH2      TRP  23   3.455  -0.692   1.259
  186    H    HIS  24           HN       ZHI  24   9.500   2.141  -3.225
  187    HA   HIS  24           HA       ZHI  24  11.140   4.230  -4.464
  188   1HB   HIS  24           HBS      ZHI  24  10.125   1.620  -5.673
  189   2HB   HIS  24           HBR      ZHI  24  11.321   2.740  -6.390
  190    HD2  HIS  24           HD2      ZHI  24  13.409   3.172  -4.092
  191    HE1  HIS  24           HE1      ZHI  24  13.152  -0.849  -2.976
  192    HE2  HIS  24           HE2      ZHI  24  14.671   1.156  -3.072
  193    H    ARG  25           HN       ARG  25  10.579   5.523  -6.120
  194    HA   ARG  25           HA       ARG  25   7.922   6.506  -6.013
  195   1HB   ARG  25           HBS      ARG  25  10.235   7.598  -6.807
  196   2HB   ARG  25           HBR      ARG  25   9.605   7.108  -8.406
  197   1HG   ARG  25           HGR      ARG  25   7.427   8.335  -7.591
  198   2HG   ARG  25           HGS      ARG  25   8.553   9.148  -6.469
  199   1HD   ARG  25           HDR      ARG  25   8.103  10.283  -8.685
  200   2HD   ARG  25           HDS      ARG  25   9.811  10.056  -8.213
  201    HE   ARG  25           HE       ARG  25  10.059   8.470  -9.930
  202   1HH1  ARG  25           HH1      ARG  25   6.649   9.300  -9.584
  203   2HH1  ARG  25           HH1      ARG  25   6.243   8.750 -11.175
  204   1HH2  ARG  25           HH2      ARG  25   9.511   7.877 -12.049
  205   2HH2  ARG  25           HH2      ARG  25   7.861   7.942 -12.569
  206    HA   PRO  26           HA       PRO  26   7.525   4.169 -10.285
  207   1HB   PRO  26           HBR      PRO  26   9.363   2.073 -10.063
  208   2HB   PRO  26           HBS      PRO  26   9.138   3.093 -11.329
  209   1HG   PRO  26           HGR      PRO  26  11.247   3.141  -9.719
  210   2HG   PRO  26           HGS      PRO  26  10.776   4.385 -10.727
  211   1HD   PRO  26           HDS      PRO  26  10.537   4.211  -7.933
  212   2HD   PRO  26           HDR      PRO  26  10.475   5.560  -8.889
  213    H    CYS  27           HN       CYS  27   8.276   2.663  -7.309
  214    HA   CYS  27           HA       CYS  27   6.709   0.304  -7.791
  215   1HB   CYS  27           HBS      CYS  27   8.184   1.496  -5.495
  216   2HB   CYS  27           HBR      CYS  27   6.901   0.304  -5.137
  217    H    LEU  28           HN       LEU  28   6.191   3.219  -5.779
  218    HA   LEU  28           HA       LEU  28   3.842   2.280  -4.582
  219   1HB   LEU  28           HBR      LEU  28   5.486   4.146  -3.958
  220   2HB   LEU  28           HBS      LEU  28   4.511   5.192  -5.028
  221    HG   LEU  28           HG       LEU  28   2.563   4.211  -3.448
  222   1HD1  LEU  28           HMD      LEU  28   5.146   4.013  -1.934
  223   2HD1  LEU  28           HMD      LEU  28   3.684   4.582  -1.090
  224   3HD1  LEU  28           HMD      LEU  28   3.698   2.978  -1.865
  225   1HD2  LEU  28           HMD      LEU  28   4.253   6.596  -3.618
  226   2HD2  LEU  28           HMD      LEU  28   2.484   6.451  -3.468
  227   3HD2  LEU  28           HMD      LEU  28   3.511   6.382  -2.013
  228    H    LYS  29           HN       LYS  29   2.349   1.466  -5.958
  229    HA   LYS  29           HA       LYS  29   0.600   3.556  -7.063
  230   1HB   LYS  29           HBR      LYS  29   1.021   0.976  -8.589
  231   2HB   LYS  29           HBS      LYS  29   0.052   2.402  -9.056
  232   1HG   LYS  29           HGS      LYS  29   1.805   3.299 -10.106
  233   2HG   LYS  29           HGR      LYS  29   2.788   3.204  -8.619
  234   1HD   LYS  29           HDS      LYS  29   4.024   1.969 -10.114
  235   2HD   LYS  29           HDR      LYS  29   3.124   0.755  -9.247
  236   1HE   LYS  29           HES      LYS  29   2.279  -0.036 -11.120
  237   2HE   LYS  29           HER      LYS  29   1.543   1.557 -11.455
  238   1HZ   LYS  29           HZC      LYS  29   4.349   0.986 -12.065
  239   2HZ   LYS  29           HZA      LYS  29   3.155   0.665 -13.132
  240   3HZ   LYS  29           HZB      LYS  29   3.415   2.199 -12.635
  241    H    CYS  30           HN       CYS  30  -1.571   2.404  -7.662
  242    HA   CYS  30           HA       CYS  30  -2.593   0.818  -5.473
  243   1HB   CYS  30           HBS      CYS  30  -3.787   2.343  -7.294
  244   2HB   CYS  30           HBR      CYS  30  -3.885   0.779  -8.155
  245    H    GLU  31           HN       GLU  31  -3.614  -1.342  -5.966
  246    HA   GLU  31           HA       GLU  31  -2.502  -2.755  -8.274
  247   1HB   GLU  31           HBS      GLU  31  -1.894  -4.660  -7.110
  248   2HB   GLU  31           HBR      GLU  31  -0.981  -3.391  -6.501
  249   1HG   GLU  31           HGR      GLU  31  -2.116  -3.498  -4.339
  250   2HG   GLU  31           HGS      GLU  31  -3.566  -4.143  -5.155
  251    H    LYS  32           HN       LYS  32  -4.997  -1.477  -7.110
  252    HA   LYS  32           HA       LYS  32  -6.827  -3.805  -7.468
  253   1HB   LYS  32           HBR      LYS  32  -7.006  -1.426  -5.816
  254   2HB   LYS  32           HBS      LYS  32  -8.349  -1.496  -6.993
  255   1HG   LYS  32           HGS      LYS  32  -9.054  -2.569  -4.947
  256   2HG   LYS  32           HGR      LYS  32  -8.846  -3.818  -6.207
  257   1HD   LYS  32           HDS      LYS  32  -7.376  -4.899  -4.947
  258   2HD   LYS  32           HDR      LYS  32  -6.381  -3.473  -4.828
  259   1HE   LYS  32           HER      LYS  32  -7.079  -2.934  -2.786
  260   2HE   LYS  32           HES      LYS  32  -8.761  -3.450  -3.095
  261   1HZ   LYS  32           HZB      LYS  32  -6.496  -5.257  -2.600
  262   2HZ   LYS  32           HZC      LYS  32  -7.644  -4.862  -1.507
  263   3HZ   LYS  32           HZA      LYS  32  -8.046  -5.709  -2.844
  264    H    CYS  33           HN       CYS  33  -6.575  -0.315  -8.277
  265    HA   CYS  33           HA       CYS  33  -8.087  -0.862 -10.706
  266   1HB   CYS  33           HBS      CYS  33  -8.287   1.556 -10.896
  267   2HB   CYS  33           HBR      CYS  33  -8.791   0.938  -9.298
  268    H    GLY  34           HN       GLY  34  -4.930   0.600  -9.889
  269   1HA   GLY  34           HAR      GLY  34  -2.969  -0.042 -11.046
  270   2HA   GLY  34           HAS      GLY  34  -3.944  -0.375 -12.502
  271    H    LYS  35           HN       LYS  35  -3.398   2.419 -10.309
  272    HA   LYS  35           HA       LYS  35  -2.056   3.821 -12.502
  273   1HB   LYS  35           HBR      LYS  35  -3.238   5.907 -12.203
  274   2HB   LYS  35           HBS      LYS  35  -4.367   4.624 -12.725
  275   1HG   LYS  35           HGS      LYS  35  -5.700   5.184 -11.024
  276   2HG   LYS  35           HGR      LYS  35  -4.435   4.609  -9.900
  277   1HD   LYS  35           HDS      LYS  35  -5.209   6.876  -9.385
  278   2HD   LYS  35           HDR      LYS  35  -3.507   6.790  -9.746
  279   1HE   LYS  35           HES      LYS  35  -4.526   7.324 -12.219
  280   2HE   LYS  35           HER      LYS  35  -5.641   8.207 -11.138
  281   1HZ   LYS  35           HZA      LYS  35  -3.276   8.823 -10.119
  282   2HZ   LYS  35           HZB      LYS  35  -2.875   8.696 -11.698
  283   3HZ   LYS  35           HZC      LYS  35  -4.048   9.732 -11.234
  284    H    THR  36           HN       THR  36  -0.384   4.975 -11.783
  285    HA   THR  36           HA       THR  36   0.625   4.490  -9.251
  286    HB   THR  36           HB       THR  36   1.486   6.943 -10.853
  287    HG1  THR  36           HG1      THR  36   1.269   5.743 -12.234
  288   1HG2  THR  36           HMG      THR  36   2.969   4.905  -9.182
  289   2HG2  THR  36           HMG      THR  36   3.774   6.088 -10.246
  290   3HG2  THR  36           HMG      THR  36   2.781   6.651  -8.876
  291    H    LEU  37           HN       LEU  37   1.440   6.267  -7.740
  292    HA   LEU  37           HA       LEU  37  -0.880   7.998  -7.031
  293   1HB   LEU  37           HBR      LEU  37   0.802   6.397  -5.097
  294   2HB   LEU  37           HBS      LEU  37  -0.776   7.191  -4.822
  295    HG   LEU  37           HG       LEU  37  -0.539   4.922  -6.777
  296   1HD1  LEU  37           HMD      LEU  37  -0.264   4.820  -3.829
  297   2HD1  LEU  37           HMD      LEU  37  -1.469   3.712  -4.532
  298   3HD1  LEU  37           HMD      LEU  37   0.226   3.644  -5.074
  299   1HD2  LEU  37           HMD      LEU  37  -2.542   6.645  -5.909
  300   2HD2  LEU  37           HMD      LEU  37  -2.768   5.107  -6.782
  301   3HD2  LEU  37           HMD      LEU  37  -2.844   5.142  -5.001
  302    H    THR  38           HN       THR  38  -0.044   9.254  -4.882
  303    HA   THR  38           HA       THR  38   2.151  10.912  -6.015
  304    HB   THR  38           HB       THR  38  -0.222  11.891  -5.899
  305    HG1  THR  38           HG1      THR  38   0.636  13.474  -5.890
  306   1HG2  THR  38           HMG      THR  38  -0.071  11.111  -3.176
  307   2HG2  THR  38           HMG      THR  38  -0.038  12.892  -3.222
  308   3HG2  THR  38           HMG      THR  38  -1.371  12.005  -4.005
  309    H    SER  39           HN       SER  39   2.633  12.565  -3.931
  310    HA   SER  39           HA       SER  39   4.690  11.114  -2.715
  311   1HB   SER  39           HBS      SER  39   4.988  13.426  -3.006
  312   2HB   SER  39           HBR      SER  39   3.513  13.826  -2.080
  313    HG   SER  39           HG       SER  39   4.386  13.163  -0.185
  314    H    GLY  40           HN       GLY  40   1.402  11.633  -1.710
  315   1HA   GLY  40           HAR      GLY  40   1.326   9.379  -0.118
  316   2HA   GLY  40           HAS      GLY  40   1.661  10.707   1.025
  317    H    GLY  41           HN       GLY  41  -0.478   9.909  -1.737
  318   1HA   GLY  41           HAR      GLY  41  -2.780  10.781  -0.046
  319   2HA   GLY  41           HAS      GLY  41  -2.761  11.079  -1.803
  320    H    HIS  42           HN       HIS  42  -1.118   8.228  -1.317
  321    HA   HIS  42           HA       HIS  42  -3.423   6.549  -1.821
  322   1HB   HIS  42           HBS      HIS  42  -1.841   4.693  -1.979
  323   2HB   HIS  42           HBR      HIS  42  -1.281   6.084  -2.952
  324    HD1  HIS  42           HD1      HIS  42   0.045   3.640  -0.659
  325    HD2  HIS  42           HD2      HIS  42   0.609   7.726  -1.244
  326    HE1  HIS  42           HE1      HIS  42   2.176   4.235   0.518
  327    HE2  HIS  42           HE2      HIS  42   2.520   6.708   0.172
  328    H    ALA  43           HN       ALA  43  -2.883   4.208  -0.587
  329    HA   ALA  43           HA       ALA  43  -2.456   4.713   2.280
  330   1HB   ALA  43           HMB      ALA  43  -5.005   3.813   1.096
  331   2HB   ALA  43           HMB      ALA  43  -4.395   2.821   2.444
  332   3HB   ALA  43           HMB      ALA  43  -4.659   4.568   2.672
  333    H    GLU  44           HN       GLU  44  -2.322   2.507   3.417
  334    HA   GLU  44           HA       GLU  44  -1.442   0.346   1.586
  335   1HB   GLU  44           HBS      GLU  44   0.517   1.348   2.387
  336   2HB   GLU  44           HBR      GLU  44  -0.002   1.468   3.979
  337   1HG   GLU  44           HGS      GLU  44  -0.179  -1.287   3.231
  338   2HG   GLU  44           HGR      GLU  44   1.404  -0.738   2.618
  339    H    HIS  45           HN       HIS  45  -1.855  -1.731   2.408
  340    HA   HIS  45           HA       HIS  45  -3.948  -1.848   4.507
  341   1HB   HIS  45           HBS      HIS  45  -4.441  -3.132   2.433
  342   2HB   HIS  45           HBR      HIS  45  -2.937  -4.069   2.672
  343    HD1  HIS  45           HD1      HIS  45  -6.257  -3.425   4.526
  344    HD2  HIS  45           HD2      HIS  45  -3.112  -6.150   4.386
  345    HE1  HIS  45           HE1      HIS  45  -6.885  -5.308   6.056
  346    HE2  HIS  45           HE2      HIS  45  -5.002  -6.978   5.948
  347    H    GLU  46           HN       GLU  46  -1.374  -4.131   3.603
  348    HA   GLU  46           HA       GLU  46   0.441  -3.362   5.620
  349   1HB   GLU  46           HBS      GLU  46  -1.364  -4.269   6.983
  350   2HB   GLU  46           HBR      GLU  46  -1.278  -5.774   6.244
  351   1HG   GLU  46           HGS      GLU  46  -0.142  -5.454   8.529
  352   2HG   GLU  46           HGR      GLU  46   0.893  -6.261   7.321
  353    H    GLY  47           HN       GLY  47   1.536  -3.535   3.569
  354   1HA   GLY  47           HAR      GLY  47   3.225  -5.486   2.975
  355   2HA   GLY  47           HAS      GLY  47   1.743  -6.197   2.284
  356    H    LYS  48           HN       LYS  48   0.505  -3.806   1.399
  357    HA   LYS  48           HA       LYS  48   2.283  -2.830  -0.741
  358   1HB   LYS  48           HBS      LYS  48  -0.308  -4.269  -1.383
  359   2HB   LYS  48           HBR      LYS  48   0.870  -3.561  -2.526
  360   1HG   LYS  48           HGS      LYS  48   1.299  -5.857  -2.653
  361   2HG   LYS  48           HGR      LYS  48   2.545  -5.269  -1.515
  362   1HD   LYS  48           HDS      LYS  48   0.788  -5.902   0.299
  363   2HD   LYS  48           HDR      LYS  48   0.006  -6.789  -0.981
  364   1HE   LYS  48           HER      LYS  48   1.424  -8.233   0.332
  365   2HE   LYS  48           HES      LYS  48   1.998  -8.130  -1.356
  366   1HZ   LYS  48           HZC      LYS  48   3.529  -6.369  -0.485
  367   2HZ   LYS  48           HZA      LYS  48   3.146  -6.865   1.023
  368   3HZ   LYS  48           HZB      LYS  48   3.862  -7.898  -0.021
  369    HA   PRO  49           HA       PRO  49  -0.361   0.682  -0.324
  370   1HB   PRO  49           HBR      PRO  49   0.479   1.942  -2.511
  371   2HB   PRO  49           HBS      PRO  49   1.204   2.068  -1.043
  372   1HG   PRO  49           HGS      PRO  49   2.109   0.726  -3.306
  373   2HG   PRO  49           HGR      PRO  49   2.984   1.209  -1.970
  374   1HD   PRO  49           HDS      PRO  49   2.135  -1.318  -2.520
  375   2HD   PRO  49           HDR      PRO  49   2.873  -0.808  -1.130
  376    H    TYR  50           HN       TYR  50  -2.260   1.509  -1.005
  377    HA   TYR  50           HA       TYR  50  -3.058   0.842  -3.736
  378   1HB   TYR  50           HBR      TYR  50  -4.954   0.318  -1.414
  379   2HB   TYR  50           HBS      TYR  50  -5.334   0.194  -3.155
  380    HD1  TYR  50           HD2      TYR  50  -2.811  -1.162  -0.734
  381    HD2  TYR  50           HD1      TYR  50  -5.487  -1.994  -3.932
  382    HE1  TYR  50           HE2      TYR  50  -2.311  -3.556  -0.519
  383    HE2  TYR  50           HE1      TYR  50  -5.023  -4.397  -3.704
  384    HH   TYR  50           HH       TYR  50  -2.248  -5.435  -1.780
  385    H    CYS  51           HN       CYS  51  -5.310   2.062  -4.062
  386    HA   CYS  51           HA       CYS  51  -5.263   4.753  -3.489
  387   1HB   CYS  51           HBS      CYS  51  -7.598   2.881  -3.878
  388   2HB   CYS  51           HBR      CYS  51  -7.798   4.643  -3.655
  389    H    ASN  52           HN       ASN  52  -7.390   5.683  -2.218
  390    HA   ASN  52           HA       ASN  52  -7.356   4.530   0.513
  391   1HB   ASN  52           HBS      ASN  52  -7.143   7.229  -0.292
  392   2HB   ASN  52           HBR      ASN  52  -8.741   7.017   0.482
  393   1HD2  ASN  52           HD2      ASN  52  -6.206   7.905   3.077
  394   2HD2  ASN  52           HD2      ASN  52  -6.765   8.633   1.609
  395    H    HIS  53           HN       HIS  53  -9.273   5.454  -2.271
  396    HA   HIS  53           HA       HIS  53 -11.054   3.249  -1.786
  397   1HB   HIS  53           HBS      HIS  53 -12.091   6.052  -1.274
  398   2HB   HIS  53           HBR      HIS  53 -13.146   4.795  -1.981
  399    HD1  HIS  53           HD1      HIS  53 -13.774   2.750  -0.404
  400    HD2  HIS  53           HD2      HIS  53 -11.630   5.826   1.409
  401    HE1  HIS  53           HE1      HIS  53 -14.101   2.478   2.066
  402    HE2  HIS  53           HE2      HIS  53 -12.812   4.341   3.169
  403    HA   PRO  54           HA       PRO  54 -13.153   3.010  -2.415
  404   1HB   PRO  54           HBS      PRO  54 -14.201   1.285  -4.172
  405   2HB   PRO  54           HBR      PRO  54 -14.936   2.665  -3.667
  406   1HG   PRO  54           HGS      PRO  54 -13.839   2.100  -6.143
  407   2HG   PRO  54           HGR      PRO  54 -14.787   3.405  -5.722
  408   1HD   PRO  54           HDS      PRO  54 -12.070   3.386  -6.108
  409   2HD   PRO  54           HDR      PRO  54 -13.010   4.677  -5.680
  410    H    CYS  55           HN       CYS  55 -10.519   2.210  -4.095
  411    HA   CYS  55           HA       CYS  55 -10.622  -0.532  -4.289
  412   1HB   CYS  55           HBS      CYS  55  -8.143   1.166  -3.907
  413   2HB   CYS  55           HBR      CYS  55  -8.203  -0.492  -4.567
  414    H    TYR  56           HN       TYR  56  -9.430   1.414  -1.574
  415    HA   TYR  56           HA       TYR  56  -8.036  -0.648  -0.261
  416   1HB   TYR  56           HBR      TYR  56  -7.639   1.702   0.217
  417   2HB   TYR  56           HBS      TYR  56  -9.292   1.880   0.870
  418    HD1  TYR  56           HD1      TYR  56  -9.876   0.698   3.033
  419    HD2  TYR  56           HD2      TYR  56  -5.884   0.873   1.576
  420    HE1  TYR  56           HE1      TYR  56  -9.044   0.034   5.249
  421    HE2  TYR  56           HE2      TYR  56  -5.043   0.170   3.772
  422    HH   TYR  56           HH       TYR  56  -7.300  -0.983   6.258
  423    H    SER  57           HN       SER  57 -11.400   0.440  -0.006
  424    HA   SER  57           HA       SER  57 -11.836  -1.355   2.278
  425   1HB   SER  57           HBS      SER  57 -13.408   0.913   1.062
  426   2HB   SER  57           HBR      SER  57 -14.096  -0.174   2.303
  427    HG   SER  57           HG       SER  57 -11.895   1.692   2.348
  428    H    ALA  58           HN       ALA  58 -12.359  -1.256  -1.104
  429    HA   ALA  58           HA       ALA  58 -14.905  -2.535  -1.186
  430   1HB   ALA  58           HMB      ALA  58 -12.743  -2.114  -3.262
  431   2HB   ALA  58           HMB      ALA  58 -14.338  -2.826  -3.613
  432   3HB   ALA  58           HMB      ALA  58 -14.223  -1.157  -3.001
  433    H    MET  59           HN       MET  59 -11.597  -3.732  -1.860
  434    HA   MET  59           HA       MET  59 -12.646  -6.387  -2.424
  435   1HB   MET  59           HBS      MET  59 -10.460  -4.885  -3.300
  436   2HB   MET  59           HBR      MET  59  -9.744  -6.178  -2.304
  437   1HG   MET  59           HGS      MET  59  -9.882  -7.175  -4.444
  438   2HG   MET  59           HGR      MET  59 -11.320  -7.783  -3.592
  439   1HE   MET  59           HME      MET  59 -13.141  -8.127  -4.899
  440   2HE   MET  59           HME      MET  59 -13.914  -6.711  -4.140
  441   3HE   MET  59           HME      MET  59 -14.043  -6.960  -5.900
  442    H    PHE  60           HN       PHE  60 -10.639  -4.830   0.054
  443    HA   PHE  60           HA       PHE  60  -9.590  -7.171   1.165
  444   1HB   PHE  60           HBR      PHE  60  -9.713  -4.334   1.997
  445   2HB   PHE  60           HBS      PHE  60  -9.646  -5.496   3.353
  446    HD1  PHE  60           HD2      PHE  60  -7.751  -7.428   3.008
  447    HD2  PHE  60           HD1      PHE  60  -7.831  -3.630   1.075
  448    HE1  PHE  60           HE2      PHE  60  -5.343  -7.649   2.486
  449    HE2  PHE  60           HE1      PHE  60  -5.442  -3.822   0.553
  450    HZ   PHE  60           HZ       PHE  60  -4.187  -5.815   1.284
  451    H    GLY  61           HN       GLY  61 -11.137  -8.732   1.426
  452   1HA   GLY  61           HAS      GLY  61 -12.481  -9.344   3.691
  453   2HA   GLY  61           HAR      GLY  61 -13.593  -8.170   2.932
  454    HA   PRO  62           HA       PRO  62 -12.859 -11.520  -0.395
  455   1HB   PRO  62           HBR      PRO  62 -11.692 -13.816   0.458
  456   2HB   PRO  62           HBS      PRO  62 -10.991 -12.670  -0.486
  457   1HG   PRO  62           HGS      PRO  62 -10.572 -13.172   2.221
  458   2HG   PRO  62           HGR      PRO  62  -9.596 -12.334   1.158
  459   1HD   PRO  62           HDS      PRO  62 -11.089 -11.197   3.054
  460   2HD   PRO  62           HDR      PRO  62 -10.484 -10.404   1.736
  461    H    LYS  63           HN       LYS  63 -12.896 -14.129   1.829
  462    HA   LYS  63           HA       LYS  63 -15.822 -14.455   1.434
  463   1HB   LYS  63           HBS      LYS  63 -13.806 -16.618   0.774
  464   2HB   LYS  63           HBR      LYS  63 -15.577 -16.643   0.539
  465   1HG   LYS  63           HGR      LYS  63 -15.133 -16.058  -1.587
  466   2HG   LYS  63           HGS      LYS  63 -14.800 -14.429  -0.929
  467   1HD   LYS  63           HDS      LYS  63 -12.999 -15.025  -2.346
  468   2HD   LYS  63           HDR      LYS  63 -12.459 -14.972  -0.689
  469   1HE   LYS  63           HES      LYS  63 -12.958 -17.547  -0.724
  470   2HE   LYS  63           HER      LYS  63 -12.784 -17.313  -2.486
  471   1HZ   LYS  63           HZA      LYS  63 -10.738 -16.051  -0.971
  472   2HZ   LYS  63           HZB      LYS  63 -10.766 -17.669  -0.752
  473   3HZ   LYS  63           HZC      LYS  63 -10.618 -17.052  -2.256
  474    H    GLY  64           HN       GLY  64 -16.267 -16.845   2.399
  475   1HA   GLY  64           HAR      GLY  64 -14.574 -17.404   4.747
  476   2HA   GLY  64           HAS      GLY  64 -16.303 -17.099   5.065
  477    H    PHE  65           HN       PHE  65 -17.648 -18.758   4.943
  478    HA   PHE  65           HA       PHE  65 -18.627 -20.729   4.365
  479   1HB   PHE  65           HBS      PHE  65 -17.026 -20.068   1.916
  480   2HB   PHE  65           HBR      PHE  65 -17.654 -21.734   2.074
  481    HD1  PHE  65           HD2      PHE  65 -20.287 -21.080   3.510
  482    HD2  PHE  65           HD1      PHE  65 -18.280 -19.213   0.249
  483    HE1  PHE  65           HE2      PHE  65 -22.461 -20.295   2.630
  484    HE2  PHE  65           HE1      PHE  65 -20.424 -18.426  -0.648
  485    HZ   PHE  65           HZ       PHE  65 -22.521 -19.017   0.507
  486    H    GLY  66           HN       GLY  66 -15.462 -21.413   2.887
  487   1HA   GLY  66           HAR      GLY  66 -15.485 -24.096   3.725
  488   2HA   GLY  66           HAS      GLY  66 -14.062 -23.226   3.093
  489    H    ARG  67           HN       ARG  67 -15.047 -25.030   5.583
  490    HA   ARG  67           HA       ARG  67 -13.097 -23.729   7.423
  491   1HB   ARG  67           HBS      ARG  67 -14.186 -24.845   9.300
  492   2HB   ARG  67           HBR      ARG  67 -15.288 -23.703   8.477
  493   1HG   ARG  67           HGS      ARG  67 -15.342 -26.638   7.802
  494   2HG   ARG  67           HGR      ARG  67 -16.180 -26.023   9.254
  495   1HD   ARG  67           HDS      ARG  67 -16.572 -24.835   6.519
  496   2HD   ARG  67           HDR      ARG  67 -17.531 -26.216   7.120
  497    HE   ARG  67           HE       ARG  67 -17.663 -23.431   8.044
  498   1HH1  ARG  67           HH1      ARG  67 -18.822 -26.754   8.271
  499   2HH1  ARG  67           HH1      ARG  67 -20.095 -26.349   9.373
  500   1HH2  ARG  67           HH2      ARG  67 -19.258 -22.963   9.586
  501   2HH2  ARG  67           HH2      ARG  67 -20.343 -24.204  10.116
  502    H    GLY  68           HN       GLY  68 -12.615 -25.770   9.105
  503   1HA   GLY  68           HAR      GLY  68 -10.988 -27.669   7.688
  504   2HA   GLY  68           HAS      GLY  68 -11.473 -27.750   9.403
  505    H    GLY  69           HN       GLY  69 -13.883 -28.261   9.720
  506   1HA   GLY  69           HAR      GLY  69 -15.626 -29.791   9.486
  507   2HA   GLY  69           HAS      GLY  69 -15.089 -30.134   7.821
  508    H    ALA  70           HN       ALA  70 -13.609 -31.740   7.429
  509    HA   ALA  70           HA       ALA  70 -12.376 -33.646   7.753
  510   1HB   ALA  70           HMB      ALA  70 -11.083 -32.174   9.354
  511   2HB   ALA  70           HMB      ALA  70 -12.086 -32.862  10.657
  512   3HB   ALA  70           HMB      ALA  70 -11.045 -33.927   9.676
  513    H    GLU  71           HN       GLU  71 -13.843 -33.279  10.992
  514    HA   GLU  71           HA       GLU  71 -15.060 -34.730  12.275
  515   1HB   GLU  71           HBR      GLU  71 -16.123 -35.594   9.575
  516   2HB   GLU  71           HBS      GLU  71 -16.672 -36.150  11.060
  517   1HG   GLU  71           HGS      GLU  71 -18.234 -34.524  10.551
  518   2HG   GLU  71           HGR      GLU  71 -17.217 -33.737  11.788
  519    H    SER  72           HN       SER  72 -14.886 -36.906   9.475
  520    HA   SER  72           HA       SER  72 -14.070 -39.022   9.256
  521   1HB   SER  72           HBR      SER  72 -11.868 -37.709   9.993
  522   2HB   SER  72           HBS      SER  72 -12.063 -38.749  11.435
  523    HG   SER  72           HG       SER  72 -10.787 -39.880  10.131
  524    H    HIS  73           HN       HIS  73 -15.770 -40.153   9.934
  525    HA   HIS  73           HA       HIS  73 -15.594 -41.487  12.439
  526   1HB   HIS  73           HBR      HIS  73 -17.113 -39.092  12.626
  527   2HB   HIS  73           HBS      HIS  73 -18.289 -40.437  12.554
  528    HD1  HIS  73           HD1      HIS  73 -16.337 -42.505  14.129
  529    HD2  HIS  73           HD2      HIS  73 -17.471 -38.684  15.341
  530    HE1  HIS  73           HE1      HIS  73 -16.224 -42.495  16.632
  531    HE2  HIS  73           HE2      HIS  73 -16.932 -40.193  17.373
  532    H    THR  74           HN       THR  74 -18.064 -42.514  12.742
  533    HA   THR  74           HA       THR  74 -18.562 -43.820  10.111
  534    HB   THR  74           HB       THR  74 -17.005 -45.148  11.637
  535    HG1  THR  74           HG1      THR  74 -17.689 -46.637  10.852
  536   1HG2  THR  74           HMG      THR  74 -19.301 -44.893  13.481
  537   2HG2  THR  74           HMG      THR  74 -18.614 -46.529  13.323
  538   3HG2  THR  74           HMG      THR  74 -17.573 -45.170  13.817
  539    H    PHE  75           HN       PHE  75 -20.370 -45.713  11.151
  540    HA   PHE  75           HA       PHE  75 -22.703 -44.249  10.664
  541   1HB   PHE  75           HBR      PHE  75 -22.084 -47.061  11.252
  542   2HB   PHE  75           HBS      PHE  75 -23.648 -46.540  11.942
  543    HD1  PHE  75           HD2      PHE  75 -21.761 -46.920   8.726
  544    HD2  PHE  75           HD1      PHE  75 -25.467 -46.059  10.645
  545    HE1  PHE  75           HE2      PHE  75 -22.913 -47.039   6.542
  546    HE2  PHE  75           HE1      PHE  75 -26.633 -46.168   8.490
  547    HZ   PHE  75           HZ       PHE  75 -25.350 -46.597   6.427
  548    H    LYS  76           HN       LYS  76 -24.001 -43.083  11.847
  549    HA   LYS  76           HA       LYS  76 -25.175 -42.227  13.617
  550   1HB   LYS  76           HBS      LYS  76 -25.221 -44.999  13.872
  551   2HB   LYS  76           HBR      LYS  76 -24.729 -44.421  15.489
  552   1HG   LYS  76           HGR      LYS  76 -27.007 -44.378  15.756
  553   2HG   LYS  76           HGS      LYS  76 -26.764 -42.735  15.094
  554   1HD   LYS  76           HDS      LYS  76 -27.251 -43.617  12.832
  555   2HD   LYS  76           HDR      LYS  76 -27.570 -45.180  13.534
  556   1HE   LYS  76           HES      LYS  76 -29.696 -44.435  13.451
  557   2HE   LYS  76           HER      LYS  76 -29.230 -43.790  15.050
  558   1HZ   LYS  76           HZB      LYS  76 -28.524 -41.776  13.656
  559   2HZ   LYS  76           HZC      LYS  76 -29.539 -42.374  12.525
  560   3HZ   LYS  76           HZA      LYS  76 -30.105 -41.984  14.008
   
  No H/Q in entry =         560
  Start of MODEL   39
    1    H    PRO   1           HN       PRO   1  12.729   4.823   4.053
    2    HA   PRO   1           HA       PRO   1  14.486   5.430   2.586
    3   1HB   PRO   1           HBS      PRO   1  16.644   4.446   3.974
    4   2HB   PRO   1           HBR      PRO   1  16.407   5.997   3.493
    5   1HG   PRO   1           HGS      PRO   1  16.135   4.906   6.025
    6   2HG   PRO   1           HGR      PRO   1  16.160   6.520   5.603
    7   1HD   PRO   1           HDR      PRO   1  13.987   5.203   6.414
    8   2HD   PRO   1           HDS      PRO   1  13.962   6.637   5.589
    9    H    LYS   2           HN       LYS   2  13.016   2.966   3.727
   10    HA   LYS   2           HA       LYS   2  14.425   1.006   1.984
   11   1HB   LYS   2           HBS      LYS   2  13.942   0.897   4.922
   12   2HB   LYS   2           HBR      LYS   2  13.618  -0.590   3.986
   13   1HG   LYS   2           HGR      LYS   2  16.179   0.672   3.289
   14   2HG   LYS   2           HGS      LYS   2  16.075   0.204   5.010
   15   1HD   LYS   2           HDS      LYS   2  15.442  -2.064   4.371
   16   2HD   LYS   2           HDR      LYS   2  15.496  -1.618   2.688
   17   1HE   LYS   2           HER      LYS   2  17.906  -0.998   2.997
   18   2HE   LYS   2           HES      LYS   2  17.811  -1.780   4.601
   19   1HZ   LYS   2           HZB      LYS   2  17.047  -3.777   3.418
   20   2HZ   LYS   2           HZC      LYS   2  17.352  -3.044   1.989
   21   3HZ   LYS   2           HZA      LYS   2  18.574  -3.346   3.031
   22    H    CYS   3           HN       CYS   3  13.140  -0.294   0.856
   23    HA   CYS   3           HA       CYS   3  10.366   0.460   0.829
   24   1HB   CYS   3           HBS      CYS   3  11.913   0.371  -1.136
   25   2HB   CYS   3           HBR      CYS   3  11.863  -1.411  -1.016
   26    HA   PRO   4           HA       PRO   4   8.817  -3.212   2.799
   27   1HB   PRO   4           HBR      PRO   4   6.253  -2.533   2.307
   28   2HB   PRO   4           HBS      PRO   4   7.059  -2.230   3.704
   29   1HG   PRO   4           HGS      PRO   4   6.186  -0.400   1.920
   30   2HG   PRO   4           HGR      PRO   4   7.109  -0.100   3.278
   31   1HD   PRO   4           HDS      PRO   4   7.941  -0.285   0.588
   32   2HD   PRO   4           HDR      PRO   4   8.694   0.482   1.847
   33    H    LYS   5           HN       LYS   5   8.222  -2.134  -0.353
   34    HA   LYS   5           HA       LYS   5   6.419  -4.285  -0.929
   35   1HB   LYS   5           HBS      LYS   5   6.677  -1.723  -1.773
   36   2HB   LYS   5           HBR      LYS   5   7.403  -2.564  -3.146
   37   1HG   LYS   5           HGS      LYS   5   4.901  -3.830  -2.292
   38   2HG   LYS   5           HGR      LYS   5   4.691  -2.122  -2.773
   39   1HD   LYS   5           HDR      LYS   5   6.356  -3.188  -4.706
   40   2HD   LYS   5           HDS      LYS   5   5.292  -4.524  -4.358
   41   1HE   LYS   5           HES      LYS   5   3.424  -2.656  -4.585
   42   2HE   LYS   5           HER      LYS   5   4.715  -1.839  -5.513
   43   1HZ   LYS   5           HZA      LYS   5   4.851  -3.793  -6.892
   44   2HZ   LYS   5           HZB      LYS   5   3.667  -4.535  -6.046
   45   3HZ   LYS   5           HZC      LYS   5   3.332  -3.193  -6.915
   46    H    CYS   6           HN       CYS   6   9.511  -3.241  -2.431
   47    HA   CYS   6           HA       CYS   6   9.627  -5.820  -3.849
   48   1HB   CYS   6           HBS      CYS   6  11.481  -4.880  -5.093
   49   2HB   CYS   6           HBR      CYS   6  10.018  -3.864  -5.177
   50    H    ASP   7           HN       ASP   7  10.938  -4.245  -1.080
   51    HA   ASP   7           HA       ASP   7  12.577  -4.738   0.404
   52   1HB   ASP   7           HBR      ASP   7  11.969  -7.309  -0.676
   53   2HB   ASP   7           HBS      ASP   7  13.733  -7.163  -0.434
   54    H    LYS   8           HN       LYS   8  13.271  -2.884  -1.028
   55    HA   LYS   8           HA       LYS   8  16.157  -3.503  -1.340
   56   1HB   LYS   8           HBR      LYS   8  14.537  -2.401  -3.397
   57   2HB   LYS   8           HBS      LYS   8  15.522  -1.067  -2.730
   58   1HG   LYS   8           HGR      LYS   8  17.478  -1.931  -3.518
   59   2HG   LYS   8           HGS      LYS   8  16.951  -3.625  -3.287
   60   1HD   LYS   8           HDS      LYS   8  16.051  -3.801  -5.332
   61   2HD   LYS   8           HDR      LYS   8  15.479  -2.156  -5.344
   62   1HE   LYS   8           HES      LYS   8  17.305  -2.803  -7.014
   63   2HE   LYS   8           HER      LYS   8  17.465  -1.278  -6.097
   64   1HZ   LYS   8           HZC      LYS   8  18.675  -3.727  -5.080
   65   2HZ   LYS   8           HZA      LYS   8  19.435  -2.876  -6.246
   66   3HZ   LYS   8           HZB      LYS   8  19.102  -2.175  -4.809
   67    H    GLU   9           HN       GLU   9  17.136  -0.986  -1.403
   68    HA   GLU   9           HA       GLU   9  15.783   0.510   0.805
   69   1HB   GLU   9           HBR      GLU   9  18.180   1.684   0.715
   70   2HB   GLU   9           HBS      GLU   9  17.662   0.524   1.801
   71   1HG   GLU   9           HGS      GLU   9  19.168  -0.972   1.264
   72   2HG   GLU   9           HGR      GLU   9  18.800  -0.910  -0.481
   73    H    VAL  10           HN       VAL  10  15.544   2.711   0.519
   74    HA   VAL  10           HA       VAL  10  15.102   3.213  -2.343
   75    HB   VAL  10           HB       VAL  10  13.681   4.056   0.183
   76   1HG1  VAL  10           HMG      VAL  10  13.671   5.882  -1.605
   77   2HG1  VAL  10           HMG      VAL  10  12.688   4.760  -2.578
   78   3HG1  VAL  10           HMG      VAL  10  12.096   5.318  -0.995
   79   1HG2  VAL  10           HMG      VAL  10  13.526   1.735  -1.201
   80   2HG2  VAL  10           HMG      VAL  10  12.219   2.422  -0.212
   81   3HG2  VAL  10           HMG      VAL  10  12.224   2.684  -1.970
   82    H    TYR  11           HN       TYR  11  15.689   4.985  -3.412
   83    HA   TYR  11           HA       TYR  11  17.723   6.681  -2.074
   84   1HB   TYR  11           HBR      TYR  11  18.137   5.371  -4.280
   85   2HB   TYR  11           HBS      TYR  11  17.142   6.647  -5.037
   86    HD1  TYR  11           HD2      TYR  11  19.722   6.830  -2.332
   87    HD2  TYR  11           HD1      TYR  11  18.676   7.929  -6.305
   88    HE1  TYR  11           HE2      TYR  11  21.692   8.289  -2.439
   89    HE2  TYR  11           HE1      TYR  11  20.658   9.377  -6.433
   90    HH   TYR  11           HH       TYR  11  22.587   9.915  -5.489
   91    H    PHE  12           HN       PHE  12  17.753   8.964  -3.116
   92    HA   PHE  12           HA       PHE  12  15.642  10.216  -1.903
   93   1HB   PHE  12           HBR      PHE  12  17.826  11.308  -2.265
   94   2HB   PHE  12           HBS      PHE  12  17.454  11.499  -4.001
   95    HD1  PHE  12           HD2      PHE  12  15.465  13.057  -4.626
   96    HD2  PHE  12           HD1      PHE  12  17.053  12.723  -0.686
   97    HE1  PHE  12           HE2      PHE  12  14.429  15.223  -4.031
   98    HE2  PHE  12           HE1      PHE  12  16.039  14.871  -0.072
   99    HZ   PHE  12           HZ       PHE  12  14.782  16.155  -1.760
  100    H    ALA  13           HN       ALA  13  16.185  11.234  -5.245
  101    HA   ALA  13           HA       ALA  13  13.638  12.132  -5.392
  102   1HB   ALA  13           HMB      ALA  13  15.633  11.519  -7.586
  103   2HB   ALA  13           HMB      ALA  13  14.127  12.426  -7.877
  104   3HB   ALA  13           HMB      ALA  13  15.354  13.072  -6.758
  105    H    GLU  14           HN       GLU  14  14.475   8.931  -5.754
  106    HA   GLU  14           HA       GLU  14  12.102   8.266  -7.370
  107   1HB   GLU  14           HBR      GLU  14  13.085   6.146  -7.518
  108   2HB   GLU  14           HBS      GLU  14  14.266   7.316  -7.745
  109   1HG   GLU  14           HGR      GLU  14  15.618   6.520  -6.099
  110   2HG   GLU  14           HGS      GLU  14  14.265   6.785  -4.965
  111    H    ARG  15           HN       ARG  15  12.131   9.340  -4.479
  112    HA   ARG  15           HA       ARG  15  11.258   6.995  -2.950
  113   1HB   ARG  15           HBR      ARG  15  11.535   8.345  -1.004
  114   2HB   ARG  15           HBS      ARG  15  12.955   8.582  -2.060
  115   1HG   ARG  15           HGS      ARG  15  11.823  10.713  -2.870
  116   2HG   ARG  15           HGR      ARG  15  10.672  10.498  -1.522
  117   1HD   ARG  15           HDS      ARG  15  13.639  10.455  -1.077
  118   2HD   ARG  15           HDR      ARG  15  12.732  11.991  -1.178
  119    HE   ARG  15           HE       ARG  15  11.293  10.888   0.683
  120   1HH1  ARG  15           HH1      ARG  15  14.800  10.767   0.337
  121   2HH1  ARG  15           HH1      ARG  15  15.059  10.366   2.002
  122   1HH2  ARG  15           HH2      ARG  15  11.664  10.231   2.820
  123   2HH2  ARG  15           HH2      ARG  15  13.285  10.062   3.408
  124    H    VAL  16           HN       VAL  16   9.340   6.773  -1.902
  125    HA   VAL  16           HA       VAL  16   7.669   9.098  -1.585
  126    HB   VAL  16           HB       VAL  16   5.583   8.188  -2.294
  127   1HG1  VAL  16           HMG      VAL  16   6.973   9.367  -3.983
  128   2HG1  VAL  16           HMG      VAL  16   7.528   7.783  -4.580
  129   3HG1  VAL  16           HMG      VAL  16   5.804   8.218  -4.679
  130   1HG2  VAL  16           HMG      VAL  16   7.102   5.687  -3.054
  131   2HG2  VAL  16           HMG      VAL  16   5.805   5.862  -1.848
  132   3HG2  VAL  16           HMG      VAL  16   5.441   6.051  -3.580
  133    H    THR  17           HN       THR  17   7.082   9.202   0.437
  134    HA   THR  17           HA       THR  17   7.646   6.836   2.146
  135    HB   THR  17           HB       THR  17   7.278   9.782   2.949
  136    HG1  THR  17           HG1      THR  17   9.381   8.063   2.840
  137   1HG2  THR  17           HMG      THR  17   7.409   7.338   4.536
  138   2HG2  THR  17           HMG      THR  17   8.664   8.523   4.982
  139   3HG2  THR  17           HMG      THR  17   6.945   8.996   4.996
  140    H    SER  18           HN       SER  18   6.123   5.906   3.356
  141    HA   SER  18           HA       SER  18   3.349   6.696   3.372
  142   1HB   SER  18           HBS      SER  18   3.353   4.387   1.681
  143   2HB   SER  18           HBR      SER  18   2.616   5.994   1.413
  144    HG   SER  18           HG       SER  18   3.909   6.188  -0.151
  145    H    LEU  19           HN       LEU  19   2.382   5.637   4.923
  146    HA   LEU  19           HA       LEU  19   2.139   4.307   6.763
  147   1HB   LEU  19           HBR      LEU  19   3.369   2.250   4.901
  148   2HB   LEU  19           HBS      LEU  19   2.446   1.916   6.394
  149    HG   LEU  19           HG       LEU  19   1.012   1.460   4.574
  150   1HD1  LEU  19           HMD      LEU  19   0.485   3.587   6.400
  151   2HD1  LEU  19           HMD      LEU  19  -0.243   4.016   4.831
  152   3HD1  LEU  19           HMD      LEU  19  -0.669   2.476   5.619
  153   1HD2  LEU  19           HMD      LEU  19   2.554   3.048   3.112
  154   2HD2  LEU  19           HMD      LEU  19   0.874   2.687   2.641
  155   3HD2  LEU  19           HMD      LEU  19   1.260   4.225   3.454
  156    H    GLY  20           HN       GLY  20   4.708   5.787   6.195
  157   1HA   GLY  20           HAR      GLY  20   5.989   6.454   8.031
  158   2HA   GLY  20           HAS      GLY  20   5.804   4.832   8.747
  159    H    LYS  21           HN       LYS  21   6.539   3.827   5.885
  160    HA   LYS  21           HA       LYS  21   9.467   4.163   6.146
  161   1HB   LYS  21           HBR      LYS  21   8.555   1.890   7.109
  162   2HB   LYS  21           HBS      LYS  21   8.377   1.471   5.382
  163   1HG   LYS  21           HGR      LYS  21  10.750   1.818   5.003
  164   2HG   LYS  21           HGS      LYS  21  10.967   2.403   6.679
  165   1HD   LYS  21           HDS      LYS  21  11.510   0.346   7.226
  166   2HD   LYS  21           HDR      LYS  21   9.810  -0.011   7.095
  167   1HE   LYS  21           HES      LYS  21  11.652  -0.234   4.729
  168   2HE   LYS  21           HER      LYS  21  11.388  -1.560   5.896
  169   1HZ   LYS  21           HZC      LYS  21   9.045  -1.423   5.385
  170   2HZ   LYS  21           HZA      LYS  21   9.307  -0.237   4.295
  171   3HZ   LYS  21           HZB      LYS  21   9.910  -1.732   4.036
  172    H    ASP  22           HN       ASP  22  10.502   4.260   4.209
  173    HA   ASP  22           HA       ASP  22   8.778   5.446   2.294
  174   1HB   ASP  22           HBS      ASP  22  11.725   5.002   1.914
  175   2HB   ASP  22           HBR      ASP  22  10.685   6.299   1.254
  176    H    TRP  23           HN       TRP  23   9.108   5.140  -0.097
  177    HA   TRP  23           HA       TRP  23   9.455   2.276  -0.819
  178   1HB   TRP  23           HBR      TRP  23   7.310   4.229  -1.677
  179   2HB   TRP  23           HBS      TRP  23   7.466   2.522  -2.208
  180    HD1  TRP  23           HD1      TRP  23   6.651   4.645   0.917
  181    HE1  TRP  23           HE1      TRP  23   4.904   3.371   2.309
  182    HE3  TRP  23           HE3      TRP  23   6.586   0.316  -1.751
  183    HZ2  TRP  23           HZ2      TRP  23   3.597   0.892   2.189
  184    HZ3  TRP  23           HZ3      TRP  23   5.064  -1.472  -1.050
  185    HH2  TRP  23           HH2      TRP  23   3.560  -1.182   0.848
  186    H    HIS  24           HN       ZHI  24   9.522   1.978  -3.232
  187    HA   HIS  24           HA       ZHI  24  10.990   4.144  -4.590
  188   1HB   HIS  24           HBS      ZHI  24  10.337   1.368  -5.666
  189   2HB   HIS  24           HBR      ZHI  24  11.486   2.561  -6.340
  190    HD2  HIS  24           HD2      ZHI  24  13.452   3.256  -4.095
  191    HE1  HIS  24           HE1      ZHI  24  13.239  -0.576  -2.432
  192    HE2  HIS  24           HE2      ZHI  24  14.707   1.446  -2.736
  193    H    ARG  25           HN       ARG  25  10.326   5.161  -6.410
  194    HA   ARG  25           HA       ARG  25   7.597   5.896  -6.327
  195   1HB   ARG  25           HBR      ARG  25   9.784   7.110  -7.284
  196   2HB   ARG  25           HBS      ARG  25   9.163   6.428  -8.814
  197   1HG   ARG  25           HGR      ARG  25   7.246   7.734  -8.774
  198   2HG   ARG  25           HGS      ARG  25   7.335   7.996  -7.008
  199   1HD   ARG  25           HDS      ARG  25   9.235   9.439  -7.275
  200   2HD   ARG  25           HDR      ARG  25   9.286   9.101  -9.028
  201    HE   ARG  25           HE       ARG  25   6.730  10.141  -8.302
  202   1HH1  ARG  25           HH1      ARG  25  10.050  11.054  -9.063
  203   2HH1  ARG  25           HH1      ARG  25   9.643  12.712  -9.350
  204   1HH2  ARG  25           HH2      ARG  25   6.258  12.342  -8.564
  205   2HH2  ARG  25           HH2      ARG  25   7.497  13.443  -9.066
  206    HA   PRO  26           HA       PRO  26   7.275   3.262 -10.405
  207   1HB   PRO  26           HBR      PRO  26   9.186   1.369 -10.549
  208   2HB   PRO  26           HBS      PRO  26   9.096   2.701 -11.504
  209   1HG   PRO  26           HGS      PRO  26  10.837   2.209  -9.382
  210   2HG   PRO  26           HGR      PRO  26  11.003   3.303 -10.630
  211   1HD   PRO  26           HDS      PRO  26  10.356   3.941  -8.112
  212   2HD   PRO  26           HDR      PRO  26  10.147   4.927  -9.423
  213    H    CYS  27           HN       CYS  27   8.453   1.931  -7.477
  214    HA   CYS  27           HA       CYS  27   6.925  -0.439  -7.521
  215   1HB   CYS  27           HBS      CYS  27   8.277   1.191  -5.422
  216   2HB   CYS  27           HBR      CYS  27   7.074  -0.025  -4.904
  217    H    LEU  28           HN       LEU  28   6.228   2.586  -5.724
  218    HA   LEU  28           HA       LEU  28   3.883   1.529  -4.590
  219   1HB   LEU  28           HBR      LEU  28   5.478   3.419  -3.881
  220   2HB   LEU  28           HBS      LEU  28   4.470   4.471  -4.915
  221    HG   LEU  28           HG       LEU  28   2.590   3.261  -3.338
  222   1HD1  LEU  28           HMD      LEU  28   5.091   2.841  -2.045
  223   2HD1  LEU  28           HMD      LEU  28   4.226   4.112  -1.146
  224   3HD1  LEU  28           HMD      LEU  28   3.452   2.531  -1.418
  225   1HD2  LEU  28           HMD      LEU  28   3.520   5.764  -3.957
  226   2HD2  LEU  28           HMD      LEU  28   2.171   5.417  -2.847
  227   3HD2  LEU  28           HMD      LEU  28   3.808   5.690  -2.200
  228    H    LYS  29           HN       LYS  29   2.482   0.710  -6.073
  229    HA   LYS  29           HA       LYS  29   0.799   2.807  -7.338
  230   1HB   LYS  29           HBR      LYS  29   0.787   0.047  -8.492
  231   2HB   LYS  29           HBS      LYS  29   0.373   1.616  -9.242
  232   1HG   LYS  29           HGR      LYS  29   2.484   1.968  -9.970
  233   2HG   LYS  29           HGS      LYS  29   3.217   1.328  -8.470
  234   1HD   LYS  29           HDS      LYS  29   2.205  -0.241 -10.837
  235   2HD   LYS  29           HDR      LYS  29   3.857  -0.009 -10.335
  236   1HE   LYS  29           HES      LYS  29   3.271  -1.152  -8.160
  237   2HE   LYS  29           HER      LYS  29   1.724  -1.588  -8.937
  238   1HZ   LYS  29           HZA      LYS  29   3.256  -2.469 -10.760
  239   2HZ   LYS  29           HZB      LYS  29   4.419  -2.465  -9.615
  240   3HZ   LYS  29           HZC      LYS  29   3.068  -3.356  -9.402
  241    H    CYS  30           HN       CYS  30  -1.458   1.927  -7.674
  242    HA   CYS  30           HA       CYS  30  -2.598   0.660  -5.378
  243   1HB   CYS  30           HBS      CYS  30  -3.663   2.097  -7.307
  244   2HB   CYS  30           HBR      CYS  30  -3.895   0.495  -8.064
  245    H    GLU  31           HN       GLU  31  -4.055  -1.374  -5.886
  246    HA   GLU  31           HA       GLU  31  -2.789  -3.196  -7.837
  247   1HB   GLU  31           HBR      GLU  31  -2.690  -3.520  -5.011
  248   2HB   GLU  31           HBS      GLU  31  -3.887  -4.560  -5.559
  249   1HG   GLU  31           HGR      GLU  31  -1.457  -4.777  -7.246
  250   2HG   GLU  31           HGS      GLU  31  -1.245  -5.197  -5.524
  251    H    LYS  32           HN       LYS  32  -5.180  -1.331  -7.420
  252    HA   LYS  32           HA       LYS  32  -7.378  -3.320  -7.763
  253   1HB   LYS  32           HBS      LYS  32  -7.028  -1.558  -5.646
  254   2HB   LYS  32           HBR      LYS  32  -8.170  -0.705  -6.724
  255   1HG   LYS  32           HGS      LYS  32  -8.506  -3.502  -5.572
  256   2HG   LYS  32           HGR      LYS  32  -9.387  -2.030  -5.072
  257   1HD   LYS  32           HDS      LYS  32 -10.948  -2.643  -6.527
  258   2HD   LYS  32           HDR      LYS  32  -9.840  -2.106  -7.760
  259   1HE   LYS  32           HER      LYS  32  -9.882  -4.118  -8.620
  260   2HE   LYS  32           HES      LYS  32  -8.998  -4.698  -7.181
  261   1HZ   LYS  32           HZB      LYS  32 -11.330  -4.800  -6.183
  262   2HZ   LYS  32           HZC      LYS  32 -11.860  -4.788  -7.727
  263   3HZ   LYS  32           HZA      LYS  32 -10.870  -5.981  -7.212
  264    H    CYS  33           HN       CYS  33  -6.213  -0.018  -8.450
  265    HA   CYS  33           HA       CYS  33  -8.009   0.001 -10.824
  266   1HB   CYS  33           HBS      CYS  33  -7.828   2.427 -10.845
  267   2HB   CYS  33           HBR      CYS  33  -8.574   1.794  -9.352
  268    H    GLY  34           HN       GLY  34  -4.752   0.160  -9.611
  269   1HA   GLY  34           HAR      GLY  34  -2.775  -0.210 -10.741
  270   2HA   GLY  34           HAS      GLY  34  -3.697  -0.255 -12.267
  271    H    LYS  35           HN       LYS  35  -2.965   2.164  -9.713
  272    HA   LYS  35           HA       LYS  35  -1.710   3.921 -11.755
  273   1HB   LYS  35           HBR      LYS  35  -4.214   4.398 -11.395
  274   2HB   LYS  35           HBS      LYS  35  -3.732   4.975  -9.774
  275   1HG   LYS  35           HGS      LYS  35  -2.493   6.772 -10.647
  276   2HG   LYS  35           HGR      LYS  35  -2.410   6.043 -12.277
  277   1HD   LYS  35           HDR      LYS  35  -4.450   6.791 -12.854
  278   2HD   LYS  35           HDS      LYS  35  -5.124   6.617 -11.257
  279   1HE   LYS  35           HES      LYS  35  -5.113   8.920 -11.620
  280   2HE   LYS  35           HER      LYS  35  -3.650   8.634 -10.635
  281   1HZ   LYS  35           HZB      LYS  35  -3.528   8.677 -13.555
  282   2HZ   LYS  35           HZC      LYS  35  -3.440  10.059 -12.689
  283   3HZ   LYS  35           HZA      LYS  35  -2.318   8.891 -12.479
  284    H    THR  36           HN       THR  36  -0.246   5.379 -10.952
  285    HA   THR  36           HA       THR  36   1.168   4.475  -8.637
  286    HB   THR  36           HB       THR  36   1.773   7.183  -9.844
  287    HG1  THR  36           HG1      THR  36   2.001   6.581 -11.525
  288   1HG2  THR  36           HMG      THR  36   3.172   5.484  -8.192
  289   2HG2  THR  36           HMG      THR  36   3.874   5.145  -9.793
  290   3HG2  THR  36           HMG      THR  36   3.867   6.810  -9.158
  291    H    LEU  37           HN       LEU  37   1.715   5.652  -6.763
  292    HA   LEU  37           HA       LEU  37  -0.574   7.314  -5.829
  293   1HB   LEU  37           HBR      LEU  37   1.027   5.213  -4.338
  294   2HB   LEU  37           HBS      LEU  37  -0.415   6.091  -3.753
  295    HG   LEU  37           HG       LEU  37  -0.548   4.318  -6.182
  296   1HD1  LEU  37           HMD      LEU  37  -0.489   3.556  -3.275
  297   2HD1  LEU  37           HMD      LEU  37  -1.537   2.666  -4.408
  298   3HD1  LEU  37           HMD      LEU  37   0.222   2.730  -4.682
  299   1HD2  LEU  37           HMD      LEU  37  -2.415   5.572  -4.180
  300   2HD2  LEU  37           HMD      LEU  37  -2.462   5.620  -5.960
  301   3HD2  LEU  37           HMD      LEU  37  -2.910   4.127  -5.096
  302    H    THR  38           HN       THR  38  -0.210   9.002  -4.491
  303    HA   THR  38           HA       THR  38   2.102  10.458  -5.062
  304    HB   THR  38           HB       THR  38   0.545  11.197  -2.580
  305    HG1  THR  38           HG1      THR  38  -0.301  11.228  -5.163
  306   1HG2  THR  38           HMG      THR  38   2.207  12.572  -4.340
  307   2HG2  THR  38           HMG      THR  38   0.565  13.137  -4.741
  308   3HG2  THR  38           HMG      THR  38   1.169  13.267  -3.069
  309    H    SER  39           HN       SER  39   3.141  11.695  -2.991
  310    HA   SER  39           HA       SER  39   4.812   9.770  -1.606
  311   1HB   SER  39           HBR      SER  39   5.537  11.824  -0.313
  312   2HB   SER  39           HBS      SER  39   5.840  11.821  -2.075
  313    HG   SER  39           HG       SER  39   4.109  13.336  -0.408
  314    H    GLY  40           HN       GLY  40   3.025   8.492  -0.781
  315   1HA   GLY  40           HAR      GLY  40   1.918   7.683   1.062
  316   2HA   GLY  40           HAS      GLY  40   2.722   8.990   1.976
  317    H    GLY  41           HN       GLY  41   0.214   8.845  -0.591
  318   1HA   GLY  41           HAR      GLY  41  -1.730   9.951   1.381
  319   2HA   GLY  41           HAS      GLY  41  -1.737  10.516  -0.310
  320    H    HIS  42           HN       HIS  42  -0.760   7.344  -0.400
  321    HA   HIS  42           HA       HIS  42  -3.453   6.325  -0.808
  322   1HB   HIS  42           HBS      HIS  42  -2.384   4.340  -1.730
  323   2HB   HIS  42           HBR      HIS  42  -1.669   5.818  -2.437
  324    HD1  HIS  42           HD1      HIS  42  -0.545   2.638  -1.376
  325    HD2  HIS  42           HD2      HIS  42   0.792   6.548  -0.849
  326    HE1  HIS  42           HE1      HIS  42   1.842   2.476  -0.618
  327    HE2  HIS  42           HE2      HIS  42   2.708   4.842  -0.511
  328    H    ALA  43           HN       ALA  43  -3.269   3.689  -0.259
  329    HA   ALA  43           HA       ALA  43  -2.501   3.454   2.599
  330   1HB   ALA  43           HMB      ALA  43  -5.163   3.319   1.574
  331   2HB   ALA  43           HMB      ALA  43  -4.668   1.686   2.091
  332   3HB   ALA  43           HMB      ALA  43  -4.578   3.049   3.235
  333    H    GLU  44           HN       GLU  44  -2.852   0.880   3.047
  334    HA   GLU  44           HA       GLU  44  -1.627  -0.779   0.952
  335   1HB   GLU  44           HBS      GLU  44   0.129   0.629   1.548
  336   2HB   GLU  44           HBR      GLU  44  -0.157   0.571   3.200
  337   1HG   GLU  44           HGR      GLU  44   0.359  -2.146   2.081
  338   2HG   GLU  44           HGS      GLU  44   1.618  -0.961   1.640
  339    H    HIS  45           HN       HIS  45  -1.643  -2.916   1.474
  340    HA   HIS  45           HA       HIS  45  -3.253  -3.557   3.863
  341   1HB   HIS  45           HBS      HIS  45  -4.276  -4.010   1.644
  342   2HB   HIS  45           HBR      HIS  45  -2.922  -5.111   1.256
  343    HD1  HIS  45           HD1      HIS  45  -6.011  -4.883   3.481
  344    HD2  HIS  45           HD2      HIS  45  -3.150  -7.629   2.212
  345    HE1  HIS  45           HE1      HIS  45  -6.823  -7.137   4.212
  346    HE2  HIS  45           HE2      HIS  45  -5.088  -8.802   3.462
  347    H    GLU  46           HN       GLU  46  -0.615  -4.905   1.858
  348    HA   GLU  46           HA       GLU  46   1.038  -5.291   4.093
  349   1HB   GLU  46           HBS      GLU  46  -0.407  -7.031   4.668
  350   2HB   GLU  46           HBR      GLU  46  -0.487  -7.698   3.129
  351   1HG   GLU  46           HGS      GLU  46   2.271  -7.558   4.046
  352   2HG   GLU  46           HGR      GLU  46   1.306  -8.382   5.301
  353    H    GLY  47           HN       GLY  47   2.641  -4.439   2.922
  354   1HA   GLY  47           HAR      GLY  47   4.298  -4.195   1.336
  355   2HA   GLY  47           HAS      GLY  47   4.177  -5.963   1.140
  356    H    LYS  48           HN       LYS  48   1.285  -4.166   0.602
  357    HA   LYS  48           HA       LYS  48   1.618  -4.147  -2.318
  358   1HB   LYS  48           HBR      LYS  48   0.507  -6.412  -1.199
  359   2HB   LYS  48           HBS      LYS  48  -0.922  -5.384  -1.499
  360   1HG   LYS  48           HGR      LYS  48  -0.586  -5.368  -3.812
  361   2HG   LYS  48           HGS      LYS  48   1.137  -5.822  -3.667
  362   1HD   LYS  48           HDS      LYS  48  -0.577  -7.859  -2.538
  363   2HD   LYS  48           HDR      LYS  48  -1.070  -7.474  -4.163
  364   1HE   LYS  48           HES      LYS  48   1.838  -7.838  -3.726
  365   2HE   LYS  48           HER      LYS  48   0.786  -9.279  -3.627
  366   1HZ   LYS  48           HZB      LYS  48   0.573  -7.431  -5.877
  367   2HZ   LYS  48           HZC      LYS  48   1.717  -8.596  -5.872
  368   3HZ   LYS  48           HZA      LYS  48   0.137  -9.002  -5.794
  369    HA   PRO  49           HA       PRO  49  -0.525  -0.556  -0.644
  370   1HB   PRO  49           HBR      PRO  49   0.319   1.088  -2.575
  371   2HB   PRO  49           HBS      PRO  49   1.071   0.889  -1.128
  372   1HG   PRO  49           HGS      PRO  49   1.849  -0.066  -3.635
  373   2HG   PRO  49           HGR      PRO  49   2.790   0.179  -2.279
  374   1HD   PRO  49           HDS      PRO  49   1.950  -2.212  -3.164
  375   2HD   PRO  49           HDR      PRO  49   2.570  -1.915  -1.660
  376    H    TYR  50           HN       TYR  50  -2.375   0.536  -1.026
  377    HA   TYR  50           HA       TYR  50  -3.384   0.423  -3.778
  378   1HB   TYR  50           HBR      TYR  50  -5.169  -0.262  -1.413
  379   2HB   TYR  50           HBS      TYR  50  -5.671  -0.082  -3.117
  380    HD1  TYR  50           HD2      TYR  50  -3.120  -2.018  -1.160
  381    HD2  TYR  50           HD1      TYR  50  -6.102  -2.106  -4.190
  382    HE1  TYR  50           HE2      TYR  50  -2.858  -4.451  -1.336
  383    HE2  TYR  50           HE1      TYR  50  -5.822  -4.539  -4.404
  384    HH   TYR  50           HH       TYR  50  -5.054  -6.431  -2.816
  385    H    CYS  51           HN       CYS  51  -5.271   1.994  -3.969
  386    HA   CYS  51           HA       CYS  51  -4.831   4.506  -2.993
  387   1HB   CYS  51           HBS      CYS  51  -7.471   3.231  -3.733
  388   2HB   CYS  51           HBR      CYS  51  -7.239   4.979  -3.441
  389    H    ASN  52           HN       ASN  52  -6.697   5.737  -1.710
  390    HA   ASN  52           HA       ASN  52  -7.130   4.312   0.853
  391   1HB   ASN  52           HBS      ASN  52  -6.301   6.974   0.351
  392   2HB   ASN  52           HBR      ASN  52  -7.940   7.026   1.059
  393   1HD2  ASN  52           HD2      ASN  52  -5.855   7.146   3.997
  394   2HD2  ASN  52           HD2      ASN  52  -6.652   8.125   2.811
  395    H    HIS  53           HN       HIS  53  -8.629   5.998  -1.847
  396    HA   HIS  53           HA       HIS  53 -10.833   4.139  -1.637
  397   1HB   HIS  53           HBS      HIS  53 -11.344   7.094  -1.207
  398   2HB   HIS  53           HBR      HIS  53 -12.530   6.084  -2.084
  399    HD1  HIS  53           HD1      HIS  53 -13.949   4.423  -0.657
  400    HD2  HIS  53           HD2      HIS  53 -11.008   6.425   1.512
  401    HE1  HIS  53           HE1      HIS  53 -14.482   4.056   1.765
  402    HE2  HIS  53           HE2      HIS  53 -12.720   5.282   3.081
  403    HA   PRO  54           HA       PRO  54 -12.928   4.395  -2.559
  404   1HB   PRO  54           HBS      PRO  54 -14.060   2.966  -4.474
  405   2HB   PRO  54           HBR      PRO  54 -14.501   4.514  -4.140
  406   1HG   PRO  54           HGR      PRO  54 -13.252   3.568  -6.400
  407   2HG   PRO  54           HGS      PRO  54 -13.761   5.127  -6.087
  408   1HD   PRO  54           HDR      PRO  54 -11.173   4.044  -5.844
  409   2HD   PRO  54           HDS      PRO  54 -11.609   5.636  -5.975
  410    H    CYS  55           HN       CYS  55 -10.421   3.083  -4.247
  411    HA   CYS  55           HA       CYS  55 -11.054   0.479  -4.469
  412   1HB   CYS  55           HBS      CYS  55  -8.265   1.506  -3.883
  413   2HB   CYS  55           HBR      CYS  55  -8.697  -0.028  -4.693
  414    H    TYR  56           HN       TYR  56  -9.407   1.903  -1.645
  415    HA   TYR  56           HA       TYR  56  -8.640  -0.534  -0.464
  416   1HB   TYR  56           HBR      TYR  56  -7.628   1.595   0.146
  417   2HB   TYR  56           HBS      TYR  56  -9.176   2.163   0.837
  418    HD1  TYR  56           HD1      TYR  56  -7.130  -0.987   1.214
  419    HD2  TYR  56           HD2      TYR  56  -9.058   2.281   3.134
  420    HE1  TYR  56           HE1      TYR  56  -6.508  -1.914   3.402
  421    HE2  TYR  56           HE2      TYR  56  -8.470   1.350   5.327
  422    HH   TYR  56           HH       TYR  56  -7.985  -1.630   5.873
  423    H    SER  57           HN       SER  57 -11.584   1.411  -0.127
  424    HA   SER  57           HA       SER  57 -12.613  -0.208   2.064
  425   1HB   SER  57           HBS      SER  57 -13.476   2.216   0.584
  426   2HB   SER  57           HBR      SER  57 -14.761   1.194   1.290
  427    HG   SER  57           HG       SER  57 -13.676   1.211   3.306
  428    H    ALA  58           HN       ALA  58 -12.541  -0.372  -1.352
  429    HA   ALA  58           HA       ALA  58 -15.149  -1.390  -1.830
  430   1HB   ALA  58           HMB      ALA  58 -12.585  -1.241  -3.383
  431   2HB   ALA  58           HMB      ALA  58 -13.959  -2.188  -4.010
  432   3HB   ALA  58           HMB      ALA  58 -14.153  -0.447  -3.679
  433    H    MET  59           HN       MET  59 -11.972  -3.003  -1.549
  434    HA   MET  59           HA       MET  59 -13.388  -5.617  -1.594
  435   1HB   MET  59           HBS      MET  59 -11.549  -4.696  -3.376
  436   2HB   MET  59           HBR      MET  59 -10.502  -5.565  -2.216
  437   1HG   MET  59           HGR      MET  59 -11.797  -7.593  -2.481
  438   2HG   MET  59           HGS      MET  59 -13.005  -6.760  -3.491
  439   1HE   MET  59           HME      MET  59  -9.378  -6.957  -2.879
  440   2HE   MET  59           HME      MET  59  -9.025  -8.320  -3.970
  441   3HE   MET  59           HME      MET  59  -8.588  -6.660  -4.447
  442    H    PHE  60           HN       PHE  60 -11.084  -3.589   0.079
  443    HA   PHE  60           HA       PHE  60 -10.419  -5.833   1.912
  444   1HB   PHE  60           HBR      PHE  60  -8.791  -3.618   0.763
  445   2HB   PHE  60           HBS      PHE  60  -8.524  -3.971   2.494
  446    HD1  PHE  60           HD2      PHE  60  -9.025  -7.014   2.366
  447    HD2  PHE  60           HD1      PHE  60  -6.863  -4.354  -0.165
  448    HE1  PHE  60           HE2      PHE  60  -7.522  -8.866   1.714
  449    HE2  PHE  60           HE1      PHE  60  -5.348  -6.172  -0.816
  450    HZ   PHE  60           HZ       PHE  60  -5.629  -8.411   0.179
  451    H    GLY  61           HN       GLY  61 -12.034  -5.647   3.384
  452   1HA   GLY  61           HAR      GLY  61 -12.677  -3.160   4.757
  453   2HA   GLY  61           HAS      GLY  61 -13.176  -4.808   5.231
  454    HA   PRO  62           HA       PRO  62 -10.550  -4.393   8.600
  455   1HB   PRO  62           HBS      PRO  62 -10.410  -7.140   9.003
  456   2HB   PRO  62           HBR      PRO  62 -11.238  -6.038   9.895
  457   1HG   PRO  62           HGS      PRO  62 -12.319  -7.869   8.294
  458   2HG   PRO  62           HGR      PRO  62 -13.128  -6.536   8.890
  459   1HD   PRO  62           HDS      PRO  62 -12.160  -6.975   6.290
  460   2HD   PRO  62           HDR      PRO  62 -13.299  -5.886   6.795
  461    H    LYS  63           HN       LYS  63  -9.329  -7.453   7.598
  462    HA   LYS  63           HA       LYS  63  -6.836  -6.641   6.561
  463   1HB   LYS  63           HBR      LYS  63  -5.553  -7.300   8.764
  464   2HB   LYS  63           HBS      LYS  63  -6.051  -5.615   8.442
  465   1HG   LYS  63           HGR      LYS  63  -7.540  -5.583  10.160
  466   2HG   LYS  63           HGS      LYS  63  -8.008  -7.292   9.928
  467   1HD   LYS  63           HDS      LYS  63  -6.669  -7.986  11.521
  468   2HD   LYS  63           HDR      LYS  63  -5.302  -7.190  10.790
  469   1HE   LYS  63           HES      LYS  63  -5.765  -5.128  11.925
  470   2HE   LYS  63           HER      LYS  63  -7.291  -5.800  12.565
  471   1HZ   LYS  63           HZB      LYS  63  -4.618  -6.867  13.165
  472   2HZ   LYS  63           HZC      LYS  63  -5.463  -5.872  14.147
  473   3HZ   LYS  63           HZA      LYS  63  -6.033  -7.365  13.814
  474    H    GLY  64           HN       GLY  64  -5.124  -8.413   7.053
  475   1HA   GLY  64           HAS      GLY  64  -4.447 -10.605   7.217
  476   2HA   GLY  64           HAR      GLY  64  -5.900 -10.876   8.216
  477    H    PHE  65           HN       PHE  65  -5.079 -12.882   6.619
  478    HA   PHE  65           HA       PHE  65  -6.040 -14.471   5.305
  479   1HB   PHE  65           HBS      PHE  65  -8.433 -12.760   4.666
  480   2HB   PHE  65           HBR      PHE  65  -8.324 -14.513   5.002
  481    HD1  PHE  65           HD2      PHE  65  -7.440 -14.991   7.585
  482    HD2  PHE  65           HD1      PHE  65  -9.477 -11.529   6.163
  483    HE1  PHE  65           HE2      PHE  65  -8.136 -14.457   9.898
  484    HE2  PHE  65           HE1      PHE  65 -10.177 -10.975   8.449
  485    HZ   PHE  65           HZ       PHE  65  -9.459 -12.405  10.325
  486    H    GLY  66           HN       GLY  66  -5.000 -14.785   3.496
  487   1HA   GLY  66           HAR      GLY  66  -5.428 -12.932   1.195
  488   2HA   GLY  66           HAS      GLY  66  -4.104 -14.119   1.330
  489    H    ARG  67           HN       ARG  67  -6.182 -16.006   2.595
  490    HA   ARG  67           HA       ARG  67  -8.353 -16.376   0.869
  491   1HB   ARG  67           HBR      ARG  67  -6.732 -17.017  -0.839
  492   2HB   ARG  67           HBS      ARG  67  -6.048 -18.255   0.252
  493   1HG   ARG  67           HGS      ARG  67  -7.451 -19.387  -1.301
  494   2HG   ARG  67           HGR      ARG  67  -8.318 -19.357   0.260
  495   1HD   ARG  67           HDS      ARG  67  -9.978 -18.763  -1.185
  496   2HD   ARG  67           HDR      ARG  67  -9.353 -17.164  -0.691
  497    HE   ARG  67           HE       ARG  67  -8.927 -18.489  -3.305
  498   1HH1  ARG  67           HH1      ARG  67  -8.222 -15.759  -1.189
  499   2HH1  ARG  67           HH1      ARG  67  -7.906 -14.680  -2.507
  500   1HH2  ARG  67           HH2      ARG  67  -8.632 -17.016  -5.003
  501   2HH2  ARG  67           HH2      ARG  67  -8.136 -15.391  -4.665
  502    H    GLY  68           HN       GLY  68  -9.577 -16.898   2.544
  503   1HA   GLY  68           HAR      GLY  68  -9.175 -19.550   3.808
  504   2HA   GLY  68           HAS      GLY  68  -9.187 -18.108   4.858
  505    H    GLY  69           HN       GLY  69 -11.048 -20.529   4.239
  506   1HA   GLY  69           HAR      GLY  69 -13.351 -19.287   5.241
  507   2HA   GLY  69           HAS      GLY  69 -13.622 -19.512   3.493
  508    H    ALA  70           HN       ALA  70 -12.890 -21.141   6.547
  509    HA   ALA  70           HA       ALA  70 -14.471 -23.431   5.584
  510   1HB   ALA  70           HMB      ALA  70 -11.972 -23.939   5.390
  511   2HB   ALA  70           HMB      ALA  70 -11.952 -23.915   7.172
  512   3HB   ALA  70           HMB      ALA  70 -12.983 -25.084   6.309
  513    H    GLU  71           HN       GLU  71 -14.543 -20.973   7.420
  514    HA   GLU  71           HA       GLU  71 -15.144 -20.316   9.532
  515   1HB   GLU  71           HBR      GLU  71 -16.168 -23.163   9.634
  516   2HB   GLU  71           HBS      GLU  71 -16.417 -21.997  10.816
  517   1HG   GLU  71           HGS      GLU  71 -17.638 -20.515   9.423
  518   2HG   GLU  71           HGR      GLU  71 -17.367 -21.502   7.961
  519    H    SER  72           HN       SER  72 -15.037 -21.193  11.957
  520    HA   SER  72           HA       SER  72 -12.152 -21.506  12.264
  521   1HB   SER  72           HBS      SER  72 -14.041 -19.937  13.495
  522   2HB   SER  72           HBR      SER  72 -13.733 -21.204  14.715
  523    HG   SER  72           HG       SER  72 -12.158 -19.118  13.628
  524    H    HIS  73           HN       HIS  73 -11.086 -23.065  13.336
  525    HA   HIS  73           HA       HIS  73 -12.536 -24.996  14.957
  526   1HB   HIS  73           HBS      HIS  73 -10.928 -25.978  12.559
  527   2HB   HIS  73           HBR      HIS  73 -11.443 -26.995  13.936
  528    HD1  HIS  73           HD1      HIS  73 -13.915 -27.797  13.941
  529    HD2  HIS  73           HD2      HIS  73 -13.051 -25.060  10.921
  530    HE1  HIS  73           HE1      HIS  73 -15.969 -27.648  12.512
  531    HE2  HIS  73           HE2      HIS  73 -15.461 -25.976  10.697
  532    H    THR  74           HN       THR  74 -11.097 -26.306  16.239
  533    HA   THR  74           HA       THR  74  -9.222 -24.614  17.465
  534    HB   THR  74           HB       THR  74  -8.560 -26.787  18.758
  535    HG1  THR  74           HG1      THR  74  -8.942 -28.169  17.621
  536   1HG2  THR  74           HMG      THR  74 -10.540 -25.061  19.246
  537   2HG2  THR  74           HMG      THR  74 -11.516 -26.524  18.961
  538   3HG2  THR  74           HMG      THR  74 -10.267 -26.521  20.232
  539    H    PHE  75           HN       PHE  75  -8.847 -27.046  14.986
  540    HA   PHE  75           HA       PHE  75  -5.897 -26.963  15.310
  541   1HB   PHE  75           HBS      PHE  75  -6.123 -29.057  13.715
  542   2HB   PHE  75           HBR      PHE  75  -6.389 -29.211  15.478
  543    HD1  PHE  75           HD2      PHE  75  -8.453 -28.422  12.382
  544    HD2  PHE  75           HD1      PHE  75  -8.171 -30.298  16.196
  545    HE1  PHE  75           HE2      PHE  75 -10.696 -29.412  12.053
  546    HE2  PHE  75           HE1      PHE  75 -10.392 -31.294  15.894
  547    HZ   PHE  75           HZ       PHE  75 -11.632 -30.903  13.799
  548    H    LYS  76           HN       LYS  76  -7.630 -25.003  13.869
  549    HA   LYS  76           HA       LYS  76  -5.901 -24.969  11.476
  550   1HB   LYS  76           HBR      LYS  76  -8.401 -25.687  10.989
  551   2HB   LYS  76           HBS      LYS  76  -8.697 -23.934  11.167
  552   1HG   LYS  76           HGR      LYS  76  -8.119 -23.700   9.019
  553   2HG   LYS  76           HGS      LYS  76  -6.448 -24.130   9.489
  554   1HD   LYS  76           HDS      LYS  76  -6.543 -26.145   8.569
  555   2HD   LYS  76           HDR      LYS  76  -8.139 -26.459   9.189
  556   1HE   LYS  76           HES      LYS  76  -8.492 -26.502   6.919
  557   2HE   LYS  76           HER      LYS  76  -8.970 -24.842   7.373
  558   1HZ   LYS  76           HZA      LYS  76  -6.310 -24.719   6.838
  559   2HZ   LYS  76           HZB      LYS  76  -6.896 -25.690   5.664
  560   3HZ   LYS  76           HZC      LYS  76  -7.519 -24.195   5.873
   
  No H/Q in entry =         560
  Start of MODEL   40
    1    H    PRO   1           HN       PRO   1  13.620   1.440   6.217
    2    HA   PRO   1           HA       PRO   1  14.355   3.465   5.156
    3   1HB   PRO   1           HBR      PRO   1  17.018   2.934   4.882
    4   2HB   PRO   1           HBS      PRO   1  16.351   4.168   5.733
    5   1HG   PRO   1           HGR      PRO   1  17.660   2.039   6.768
    6   2HG   PRO   1           HGS      PRO   1  16.855   3.232   7.610
    7   1HD   PRO   1           HDR      PRO   1  16.019   0.610   7.076
    8   2HD   PRO   1           HDS      PRO   1  15.431   1.664   8.207
    9    H    LYS   2           HN       LYS   2  13.333   0.915   4.505
   10    HA   LYS   2           HA       LYS   2  14.431   0.602   1.767
   11   1HB   LYS   2           HBR      LYS   2  14.264  -1.598   3.853
   12   2HB   LYS   2           HBS      LYS   2  14.579  -1.842   2.112
   13   1HG   LYS   2           HGR      LYS   2  16.736  -1.092   2.252
   14   2HG   LYS   2           HGS      LYS   2  16.371   0.054   3.573
   15   1HD   LYS   2           HDS      LYS   2  17.849  -1.739   4.301
   16   2HD   LYS   2           HDR      LYS   2  16.355  -1.642   5.193
   17   1HE   LYS   2           HES      LYS   2  15.673  -3.425   3.245
   18   2HE   LYS   2           HER      LYS   2  17.398  -3.794   3.523
   19   1HZ   LYS   2           HZC      LYS   2  16.502  -3.573   5.992
   20   2HZ   LYS   2           HZA      LYS   2  15.149  -4.140   5.274
   21   3HZ   LYS   2           HZB      LYS   2  16.542  -4.989   5.177
   22    H    CYS   3           HN       CYS   3  13.138  -0.907   0.482
   23    HA   CYS   3           HA       CYS   3  10.534   0.102   0.592
   24   1HB   CYS   3           HBS      CYS   3  11.992  -0.441  -1.409
   25   2HB   CYS   3           HBR      CYS   3  11.471  -2.137  -1.202
   26    HA   PRO   4           HA       PRO   4   8.199  -3.213   2.417
   27   1HB   PRO   4           HBR      PRO   4   5.872  -1.926   1.698
   28   2HB   PRO   4           HBS      PRO   4   6.498  -2.079   3.209
   29   1HG   PRO   4           HGS      PRO   4   6.328   0.201   1.852
   30   2HG   PRO   4           HGR      PRO   4   7.281  -0.038   3.202
   31   1HD   PRO   4           HDS      PRO   4   8.053   0.040   0.482
   32   2HD   PRO   4           HDR      PRO   4   8.958   0.391   1.822
   33    H    LYS   5           HN       LYS   5   8.025  -2.060  -0.753
   34    HA   LYS   5           HA       LYS   5   6.070  -4.021  -1.600
   35   1HB   LYS   5           HBR      LYS   5   6.897  -1.533  -2.508
   36   2HB   LYS   5           HBS      LYS   5   7.552  -2.664  -3.727
   37   1HG   LYS   5           HGS      LYS   5   4.652  -2.344  -2.869
   38   2HG   LYS   5           HGR      LYS   5   5.371  -1.934  -4.452
   39   1HD   LYS   5           HDS      LYS   5   5.938  -4.669  -3.880
   40   2HD   LYS   5           HDR      LYS   5   4.269  -4.394  -3.462
   41   1HE   LYS   5           HES      LYS   5   4.329  -5.115  -5.723
   42   2HE   LYS   5           HER      LYS   5   3.888  -3.385  -5.687
   43   1HZ   LYS   5           HZA      LYS   5   6.670  -3.711  -5.864
   44   2HZ   LYS   5           HZB      LYS   5   5.941  -4.533  -7.075
   45   3HZ   LYS   5           HZC      LYS   5   5.656  -2.936  -6.886
   46    H    CYS   6           HN       CYS   6   9.394  -3.281  -2.736
   47    HA   CYS   6           HA       CYS   6   9.318  -5.858  -4.155
   48   1HB   CYS   6           HBS      CYS   6  11.158  -4.970  -5.486
   49   2HB   CYS   6           HBR      CYS   6   9.711  -3.928  -5.503
   50    H    ASP   7           HN       ASP   7  10.869  -4.356  -1.467
   51    HA   ASP   7           HA       ASP   7  12.564  -4.949  -0.082
   52   1HB   ASP   7           HBS      ASP   7  11.629  -7.356  -0.621
   53   2HB   ASP   7           HBR      ASP   7  13.198  -7.501  -1.463
   54    H    LYS   8           HN       LYS   8  13.243  -3.083  -1.453
   55    HA   LYS   8           HA       LYS   8  16.038  -3.788  -2.170
   56   1HB   LYS   8           HBR      LYS   8  14.312  -2.710  -4.032
   57   2HB   LYS   8           HBS      LYS   8  15.084  -1.261  -3.328
   58   1HG   LYS   8           HGR      LYS   8  17.306  -2.631  -3.720
   59   2HG   LYS   8           HGS      LYS   8  16.305  -3.513  -4.907
   60   1HD   LYS   8           HDR      LYS   8  16.431  -0.526  -4.901
   61   2HD   LYS   8           HDS      LYS   8  17.711  -1.449  -5.640
   62   1HE   LYS   8           HER      LYS   8  15.115  -2.419  -6.466
   63   2HE   LYS   8           HES      LYS   8  15.280  -0.667  -6.774
   64   1HZ   LYS   8           HZC      LYS   8  17.607  -2.058  -7.516
   65   2HZ   LYS   8           HZA      LYS   8  16.310  -2.702  -8.270
   66   3HZ   LYS   8           HZB      LYS   8  16.637  -1.110  -8.427
   67    H    GLU   9           HN       GLU   9  17.098  -1.306  -2.251
   68    HA   GLU   9           HA       GLU   9  16.160   0.116   0.206
   69   1HB   GLU   9           HBR      GLU   9  18.729   0.944  -0.907
   70   2HB   GLU   9           HBS      GLU   9  18.189   0.793   0.668
   71   1HG   GLU   9           HGR      GLU   9  19.289  -1.532  -0.968
   72   2HG   GLU   9           HGS      GLU   9  19.972  -0.726   0.470
   73    H    VAL  10           HN       VAL  10  15.881   2.341   0.015
   74    HA   VAL  10           HA       VAL  10  15.054   2.979  -2.754
   75    HB   VAL  10           HB       VAL  10  13.934   3.728  -0.050
   76   1HG1  VAL  10           HMG      VAL  10  13.761   5.342  -2.335
   77   2HG1  VAL  10           HMG      VAL  10  12.207   4.479  -2.244
   78   3HG1  VAL  10           HMG      VAL  10  12.775   5.437  -0.856
   79   1HG2  VAL  10           HMG      VAL  10  13.565   1.469  -1.508
   80   2HG2  VAL  10           HMG      VAL  10  12.400   2.139  -0.343
   81   3HG2  VAL  10           HMG      VAL  10  12.212   2.483  -2.077
   82    H    TYR  11           HN       TYR  11  16.085   4.442  -3.829
   83    HA   TYR  11           HA       TYR  11  18.107   6.156  -2.597
   84   1HB   TYR  11           HBS      TYR  11  18.173   5.067  -4.950
   85   2HB   TYR  11           HBR      TYR  11  17.065   6.386  -5.425
   86    HD1  TYR  11           HD2      TYR  11  20.468   5.593  -4.227
   87    HD2  TYR  11           HD1      TYR  11  17.910   8.607  -5.795
   88    HE1  TYR  11           HE2      TYR  11  22.430   6.967  -4.761
   89    HE2  TYR  11           HE1      TYR  11  19.864   9.998  -6.325
   90    HH   TYR  11           HH       TYR  11  22.945   9.253  -4.979
   91    H    PHE  12           HN       PHE  12  18.056   8.468  -2.834
   92    HA   PHE  12           HA       PHE  12  15.853   9.436  -1.503
   93   1HB   PHE  12           HBS      PHE  12  16.813  11.807  -2.466
   94   2HB   PHE  12           HBR      PHE  12  17.487  10.927  -1.065
   95    HD1  PHE  12           HD2      PHE  12  19.552   9.402  -1.502
   96    HD2  PHE  12           HD1      PHE  12  18.067  12.325  -4.223
   97    HE1  PHE  12           HE2      PHE  12  21.769   9.504  -2.593
   98    HE2  PHE  12           HE1      PHE  12  20.256  12.443  -5.323
   99    HZ   PHE  12           HZ       PHE  12  22.119  11.059  -4.490
  100    H    ALA  13           HN       ALA  13  16.725  11.019  -4.572
  101    HA   ALA  13           HA       ALA  13  14.280  12.166  -4.727
  102   1HB   ALA  13           HMB      ALA  13  16.697  12.274  -6.114
  103   2HB   ALA  13           HMB      ALA  13  15.488  11.932  -7.377
  104   3HB   ALA  13           HMB      ALA  13  15.305  13.365  -6.335
  105    H    GLU  14           HN       GLU  14  14.857   8.985  -5.515
  106    HA   GLU  14           HA       GLU  14  12.469   8.796  -7.237
  107   1HB   GLU  14           HBS      GLU  14  14.593   6.951  -6.248
  108   2HB   GLU  14           HBR      GLU  14  13.276   6.323  -7.078
  109   1HG   GLU  14           HGR      GLU  14  13.997   8.123  -8.981
  110   2HG   GLU  14           HGS      GLU  14  15.484   8.165  -7.995
  111    H    ARG  15           HN       ARG  15  12.551   9.403  -4.206
  112    HA   ARG  15           HA       ARG  15  11.493   6.940  -3.033
  113   1HB   ARG  15           HBR      ARG  15  11.735   8.015  -0.917
  114   2HB   ARG  15           HBS      ARG  15  13.211   8.314  -1.877
  115   1HG   ARG  15           HGS      ARG  15  13.006  10.463  -1.339
  116   2HG   ARG  15           HGR      ARG  15  11.571  10.517  -2.401
  117   1HD   ARG  15           HDS      ARG  15  11.039  11.403  -0.229
  118   2HD   ARG  15           HDR      ARG  15  10.163   9.871  -0.508
  119    HE   ARG  15           HE       ARG  15  11.673   8.786   1.030
  120   1HH1  ARG  15           HH1      ARG  15  12.282  12.249   0.767
  121   2HH1  ARG  15           HH1      ARG  15  12.958  12.362   2.356
  122   1HH2  ARG  15           HH2      ARG  15  12.444   8.998   3.152
  123   2HH2  ARG  15           HH2      ARG  15  13.053  10.523   3.706
  124    H    VAL  16           HN       VAL  16   9.586   6.862  -1.768
  125    HA   VAL  16           HA       VAL  16   7.939   9.225  -1.600
  126    HB   VAL  16           HB       VAL  16   5.874   8.295  -2.373
  127   1HG1  VAL  16           HMG      VAL  16   7.418   9.439  -4.004
  128   2HG1  VAL  16           HMG      VAL  16   7.865   7.821  -4.598
  129   3HG1  VAL  16           HMG      VAL  16   6.180   8.381  -4.720
  130   1HG2  VAL  16           HMG      VAL  16   6.261   5.942  -1.843
  131   2HG2  VAL  16           HMG      VAL  16   5.681   6.155  -3.513
  132   3HG2  VAL  16           HMG      VAL  16   7.401   5.817  -3.205
  133    H    THR  17           HN       THR  17   7.290   9.401   0.396
  134    HA   THR  17           HA       THR  17   7.896   7.106   2.159
  135    HB   THR  17           HB       THR  17   7.706  10.114   2.761
  136    HG1  THR  17           HG1      THR  17   9.555  10.152   2.608
  137   1HG2  THR  17           HMG      THR  17   7.249   8.272   4.643
  138   2HG2  THR  17           HMG      THR  17   9.031   8.244   4.659
  139   3HG2  THR  17           HMG      THR  17   8.162   9.770   4.959
  140    H    SER  18           HN       SER  18   6.507   6.270   3.586
  141    HA   SER  18           HA       SER  18   3.862   7.171   4.149
  142   1HB   SER  18           HBR      SER  18   3.781   6.852   1.618
  143   2HB   SER  18           HBS      SER  18   3.935   5.104   1.956
  144    HG   SER  18           HG       SER  18   1.896   5.098   2.075
  145    H    LEU  19           HN       LEU  19   3.016   5.966   5.699
  146    HA   LEU  19           HA       LEU  19   2.999   4.495   7.449
  147   1HB   LEU  19           HBR      LEU  19   3.859   2.627   5.217
  148   2HB   LEU  19           HBS      LEU  19   3.228   2.128   6.813
  149    HG   LEU  19           HG       LEU  19   1.470   1.868   5.255
  150   1HD1  LEU  19           HMD      LEU  19   1.296   3.626   7.427
  151   2HD1  LEU  19           HMD      LEU  19   0.447   4.455   6.098
  152   3HD1  LEU  19           HMD      LEU  19  -0.052   2.815   6.587
  153   1HD2  LEU  19           HMD      LEU  19   2.696   3.537   3.664
  154   2HD2  LEU  19           HMD      LEU  19   0.924   3.375   3.577
  155   3HD2  LEU  19           HMD      LEU  19   1.650   4.758   4.434
  156    H    GLY  20           HN       GLY  20   5.363   6.071   7.029
  157   1HA   GLY  20           HAR      GLY  20   7.292   6.385   8.250
  158   2HA   GLY  20           HAS      GLY  20   6.679   5.075   9.294
  159    H    LYS  21           HN       LYS  21   7.094   4.293   5.964
  160    HA   LYS  21           HA       LYS  21   9.927   3.732   6.120
  161   1HB   LYS  21           HBS      LYS  21   7.935   1.469   6.074
  162   2HB   LYS  21           HBR      LYS  21   9.499   1.331   5.220
  163   1HG   LYS  21           HGR      LYS  21  10.725   1.596   7.271
  164   2HG   LYS  21           HGS      LYS  21   9.240   2.019   8.170
  165   1HD   LYS  21           HDR      LYS  21   8.676  -0.434   7.026
  166   2HD   LYS  21           HDS      LYS  21  10.345  -0.595   7.495
  167   1HE   LYS  21           HES      LYS  21   9.101  -1.341   9.343
  168   2HE   LYS  21           HER      LYS  21   9.635   0.309   9.769
  169   1HZ   LYS  21           HZA      LYS  21   7.157   0.317   8.423
  170   2HZ   LYS  21           HZB      LYS  21   7.083  -0.609   9.766
  171   3HZ   LYS  21           HZC      LYS  21   7.550   0.953   9.875
  172    H    ASP  22           HN       ASP  22  10.737   4.220   4.215
  173    HA   ASP  22           HA       ASP  22   8.979   5.478   2.422
  174   1HB   ASP  22           HBS      ASP  22  11.867   4.843   1.842
  175   2HB   ASP  22           HBR      ASP  22  10.863   6.170   1.190
  176    H    TRP  23           HN       TRP  23   9.156   5.209  -0.009
  177    HA   TRP  23           HA       TRP  23   9.283   2.349  -0.817
  178   1HB   TRP  23           HBR      TRP  23   7.171   4.394  -1.532
  179   2HB   TRP  23           HBS      TRP  23   7.204   2.663  -2.001
  180    HD1  TRP  23           HD1      TRP  23   6.697   4.939   1.080
  181    HE1  TRP  23           HE1      TRP  23   4.985   3.806   2.626
  182    HE3  TRP  23           HE3      TRP  23   6.286   0.511  -1.387
  183    HZ2  TRP  23           HZ2      TRP  23   3.601   1.368   2.716
  184    HZ3  TRP  23           HZ3      TRP  23   4.846  -1.231  -0.433
  185    HH2  TRP  23           HH2      TRP  23   3.426  -0.773   1.497
  186    H    HIS  24           HN       ZHI  24   9.408   2.018  -3.140
  187    HA   HIS  24           HA       ZHI  24  10.873   4.086  -4.574
  188   1HB   HIS  24           HBS      ZHI  24   9.899   1.370  -5.564
  189   2HB   HIS  24           HBR      ZHI  24  11.011   2.479  -6.419
  190    HD2  HIS  24           HD2      ZHI  24  13.199   3.157  -4.292
  191    HE1  HIS  24           HE1      ZHI  24  13.135  -0.754  -2.818
  192    HE2  HIS  24           HE2      ZHI  24  14.575   1.282  -3.161
  193    H    ARG  25           HN       ARG  25  10.265   5.145  -6.413
  194    HA   ARG  25           HA       ARG  25   7.664   6.212  -6.269
  195   1HB   ARG  25           HBR      ARG  25   9.946   7.064  -7.405
  196   2HB   ARG  25           HBS      ARG  25   9.127   6.425  -8.859
  197   1HG   ARG  25           HGS      ARG  25   7.441   8.003  -8.773
  198   2HG   ARG  25           HGR      ARG  25   7.651   8.291  -7.022
  199   1HD   ARG  25           HDS      ARG  25   8.418  10.128  -8.554
  200   2HD   ARG  25           HDR      ARG  25   9.612   9.538  -7.362
  201    HE   ARG  25           HE       ARG  25  10.790   8.443  -9.139
  202   1HH1  ARG  25           HH1      ARG  25   7.945  10.154 -10.326
  203   2HH1  ARG  25           HH1      ARG  25   8.594  10.348 -11.920
  204   1HH2  ARG  25           HH2      ARG  25  11.656   8.830 -11.197
  205   2HH2  ARG  25           HH2      ARG  25  10.693   9.599 -12.415
  206    HA   PRO  26           HA       PRO  26   6.784   3.426 -10.155
  207   1HB   PRO  26           HBR      PRO  26   8.599   1.324 -10.048
  208   2HB   PRO  26           HBS      PRO  26   8.287   2.321 -11.314
  209   1HG   PRO  26           HGR      PRO  26  10.539   2.333  -9.891
  210   2HG   PRO  26           HGS      PRO  26  10.034   3.544 -10.923
  211   1HD   PRO  26           HDS      PRO  26  10.010   3.515  -8.111
  212   2HD   PRO  26           HDR      PRO  26   9.949   4.818  -9.128
  213    H    CYS  27           HN       CYS  27   7.879   2.184  -7.173
  214    HA   CYS  27           HA       CYS  27   6.360  -0.237  -7.284
  215   1HB   CYS  27           HBS      CYS  27   7.976   1.213  -5.247
  216   2HB   CYS  27           HBR      CYS  27   6.780   0.020  -4.665
  217    H    LEU  28           HN       LEU  28   5.876   2.820  -5.485
  218    HA   LEU  28           HA       LEU  28   3.685   1.890  -3.995
  219   1HB   LEU  28           HBR      LEU  28   5.288   3.871  -3.679
  220   2HB   LEU  28           HBS      LEU  28   4.172   4.776  -4.739
  221    HG   LEU  28           HG       LEU  28   2.423   3.841  -2.911
  222   1HD1  LEU  28           HMD      LEU  28   4.991   3.353  -1.765
  223   2HD1  LEU  28           HMD      LEU  28   4.241   4.710  -0.888
  224   3HD1  LEU  28           HMD      LEU  28   3.382   3.155  -1.025
  225   1HD2  LEU  28           HMD      LEU  28   3.570   6.244  -3.720
  226   2HD2  LEU  28           HMD      LEU  28   2.160   6.048  -2.647
  227   3HD2  LEU  28           HMD      LEU  28   3.790   6.235  -1.952
  228    H    LYS  29           HN       LYS  29   2.245   0.831  -5.324
  229    HA   LYS  29           HA       LYS  29   0.681   2.539  -7.206
  230   1HB   LYS  29           HBR      LYS  29   0.418   0.496  -8.602
  231   2HB   LYS  29           HBS      LYS  29   2.083   1.144  -8.548
  232   1HG   LYS  29           HGS      LYS  29   2.901  -0.781  -7.743
  233   2HG   LYS  29           HGR      LYS  29   1.639  -0.869  -6.479
  234   1HD   LYS  29           HDR      LYS  29   0.351  -1.452  -8.885
  235   2HD   LYS  29           HDS      LYS  29   1.893  -2.250  -9.043
  236   1HE   LYS  29           HER      LYS  29  -0.141  -2.584  -6.842
  237   2HE   LYS  29           HES      LYS  29   0.293  -3.778  -8.097
  238   1HZ   LYS  29           HZB      LYS  29   2.146  -2.765  -6.052
  239   2HZ   LYS  29           HZC      LYS  29   1.344  -4.183  -5.949
  240   3HZ   LYS  29           HZA      LYS  29   2.444  -3.951  -7.135
  241    H    CYS  30           HN       CYS  30  -1.488   1.961  -7.492
  242    HA   CYS  30           HA       CYS  30  -2.883   0.608  -5.335
  243   1HB   CYS  30           HBS      CYS  30  -3.766   2.438  -6.924
  244   2HB   CYS  30           HBR      CYS  30  -4.033   1.088  -8.063
  245    H    GLU  31           HN       GLU  31  -4.324  -1.258  -5.851
  246    HA   GLU  31           HA       GLU  31  -3.051  -3.168  -7.772
  247   1HB   GLU  31           HBR      GLU  31  -2.968  -3.501  -5.210
  248   2HB   GLU  31           HBS      GLU  31  -4.632  -3.704  -5.298
  249   1HG   GLU  31           HGR      GLU  31  -4.540  -5.713  -6.674
  250   2HG   GLU  31           HGS      GLU  31  -2.804  -5.411  -6.951
  251    H    LYS  32           HN       LYS  32  -5.826  -1.345  -6.966
  252    HA   LYS  32           HA       LYS  32  -7.749  -3.400  -7.914
  253   1HB   LYS  32           HBR      LYS  32  -7.821  -1.484  -5.812
  254   2HB   LYS  32           HBS      LYS  32  -9.018  -0.983  -7.041
  255   1HG   LYS  32           HGR      LYS  32  -8.857  -3.721  -5.718
  256   2HG   LYS  32           HGS      LYS  32 -10.030  -2.432  -5.325
  257   1HD   LYS  32           HDS      LYS  32 -11.334  -2.881  -7.061
  258   2HD   LYS  32           HDR      LYS  32  -9.984  -3.041  -8.151
  259   1HE   LYS  32           HER      LYS  32 -10.729  -5.193  -6.195
  260   2HE   LYS  32           HES      LYS  32 -11.401  -5.097  -7.848
  261   1HZ   LYS  32           HZC      LYS  32  -8.515  -5.042  -7.433
  262   2HZ   LYS  32           HZA      LYS  32  -9.309  -6.469  -7.418
  263   3HZ   LYS  32           HZB      LYS  32  -9.358  -5.521  -8.747
  264    H    CYS  33           HN       CYS  33  -6.838   0.036  -8.341
  265    HA   CYS  33           HA       CYS  33  -8.093  -0.103 -11.016
  266   1HB   CYS  33           HBS      CYS  33  -7.966   2.290 -11.087
  267   2HB   CYS  33           HBR      CYS  33  -8.773   1.721  -9.601
  268    H    GLY  34           HN       GLY  34  -4.956   0.383  -9.457
  269   1HA   GLY  34           HAR      GLY  34  -2.861  -0.061 -10.316
  270   2HA   GLY  34           HAS      GLY  34  -3.625  -0.432 -11.884
  271    H    LYS  35           HN       LYS  35  -3.326   2.462  -9.779
  272    HA   LYS  35           HA       LYS  35  -1.784   3.772 -11.944
  273   1HB   LYS  35           HBR      LYS  35  -4.310   4.598 -11.545
  274   2HB   LYS  35           HBS      LYS  35  -3.494   5.536 -10.262
  275   1HG   LYS  35           HGR      LYS  35  -3.729   6.772 -12.423
  276   2HG   LYS  35           HGS      LYS  35  -2.037   6.591 -11.877
  277   1HD   LYS  35           HDR      LYS  35  -1.470   5.175 -13.521
  278   2HD   LYS  35           HDS      LYS  35  -3.063   4.490 -13.690
  279   1HE   LYS  35           HES      LYS  35  -3.343   5.753 -15.502
  280   2HE   LYS  35           HER      LYS  35  -3.307   7.185 -14.436
  281   1HZ   LYS  35           HZC      LYS  35  -0.787   6.004 -15.255
  282   2HZ   LYS  35           HZA      LYS  35  -1.607   6.895 -16.350
  283   3HZ   LYS  35           HZB      LYS  35  -1.149   7.564 -14.932
  284    H    THR  36           HN       THR  36   0.013   4.721 -11.245
  285    HA   THR  36           HA       THR  36   1.030   4.191  -8.718
  286    HB   THR  36           HB       THR  36   2.108   6.600 -10.204
  287    HG1  THR  36           HG1      THR  36   1.779   5.710 -11.742
  288   1HG2  THR  36           HMG      THR  36   3.199   4.351  -8.599
  289   2HG2  THR  36           HMG      THR  36   4.199   4.939  -9.952
  290   3HG2  THR  36           HMG      THR  36   3.686   6.064  -8.669
  291    H    LEU  37           HN       LEU  37   1.732   5.629  -7.027
  292    HA   LEU  37           HA       LEU  37  -0.475   7.525  -6.403
  293   1HB   LEU  37           HBS      LEU  37   1.066   5.671  -4.564
  294   2HB   LEU  37           HBR      LEU  37  -0.391   6.628  -4.175
  295    HG   LEU  37           HG       LEU  37  -0.528   4.552  -6.331
  296   1HD1  LEU  37           HMD      LEU  37   0.567   3.522  -4.306
  297   2HD1  LEU  37           HMD      LEU  37  -0.890   3.961  -3.379
  298   3HD1  LEU  37           HMD      LEU  37  -1.012   2.824  -4.747
  299   1HD2  LEU  37           HMD      LEU  37  -2.253   6.383  -5.195
  300   2HD2  LEU  37           HMD      LEU  37  -2.729   4.932  -6.113
  301   3HD2  LEU  37           HMD      LEU  37  -2.654   4.875  -4.334
  302    H    THR  38           HN       THR  38  -0.071   9.389  -5.329
  303    HA   THR  38           HA       THR  38   2.541  10.565  -5.825
  304    HB   THR  38           HB       THR  38   0.096  11.712  -4.361
  305    HG1  THR  38           HG1      THR  38  -0.541  11.452  -6.042
  306   1HG2  THR  38           HMG      THR  38   2.541  13.105  -5.486
  307   2HG2  THR  38           HMG      THR  38   1.072  13.919  -4.893
  308   3HG2  THR  38           HMG      THR  38   2.079  12.971  -3.770
  309    H    SER  39           HN       SER  39   3.630  11.798  -4.069
  310    HA   SER  39           HA       SER  39   4.464   9.988  -2.089
  311   1HB   SER  39           HBR      SER  39   5.053  12.845  -2.732
  312   2HB   SER  39           HBS      SER  39   5.540  12.206  -1.135
  313    HG   SER  39           HG       SER  39   5.995  10.759  -3.587
  314    H    GLY  40           HN       GLY  40   2.441   9.409  -1.104
  315   1HA   GLY  40           HAR      GLY  40   1.555   9.257   1.035
  316   2HA   GLY  40           HAS      GLY  40   2.199  10.880   1.402
  317    H    GLY  41           HN       GLY  41  -0.036   9.643  -1.113
  318   1HA   GLY  41           HAR      GLY  41  -2.286  10.993   0.307
  319   2HA   GLY  41           HAS      GLY  41  -2.082  11.205  -1.450
  320    H    HIS  42           HN       HIS  42  -0.970   8.152  -0.735
  321    HA   HIS  42           HA       HIS  42  -3.496   6.941  -1.512
  322   1HB   HIS  42           HBS      HIS  42  -2.193   4.934  -1.978
  323   2HB   HIS  42           HBR      HIS  42  -1.416   6.366  -2.714
  324    HD1  HIS  42           HD1      HIS  42  -0.382   3.399  -1.100
  325    HD2  HIS  42           HD2      HIS  42   0.670   7.414  -0.797
  326    HE1  HIS  42           HE1      HIS  42   1.807   3.464   0.123
  327    HE2  HIS  42           HE2      HIS  42   2.487   5.889   0.233
  328    H    ALA  43           HN       ALA  43  -3.312   4.395  -0.631
  329    HA   ALA  43           HA       ALA  43  -2.845   4.443   2.277
  330   1HB   ALA  43           HMB      ALA  43  -5.451   4.323   1.190
  331   2HB   ALA  43           HMB      ALA  43  -5.044   2.676   1.738
  332   3HB   ALA  43           HMB      ALA  43  -4.937   4.045   2.875
  333    H    GLU  44           HN       GLU  44  -3.282   1.907   2.922
  334    HA   GLU  44           HA       GLU  44  -2.211  -0.023   1.011
  335   1HB   GLU  44           HBS      GLU  44  -0.111  -0.192   1.968
  336   2HB   GLU  44           HBR      GLU  44  -0.283   1.380   1.405
  337   1HG   GLU  44           HGS      GLU  44  -0.255   0.293   4.222
  338   2HG   GLU  44           HGR      GLU  44   0.818   1.578   3.601
  339    H    HIS  45           HN       HIS  45  -2.029  -2.095   1.917
  340    HA   HIS  45           HA       HIS  45  -2.867  -2.378   4.757
  341   1HB   HIS  45           HBS      HIS  45  -3.384  -4.735   4.349
  342   2HB   HIS  45           HBR      HIS  45  -4.385  -3.684   3.306
  343    HD1  HIS  45           HD1      HIS  45  -0.969  -5.460   2.892
  344    HD2  HIS  45           HD2      HIS  45  -4.569  -4.809   0.898
  345    HE1  HIS  45           HE1      HIS  45  -0.850  -6.785   0.769
  346    HE2  HIS  45           HE2      HIS  45  -3.022  -6.390  -0.446
  347    H    GLU  46           HN       GLU  46  -1.823  -4.831   5.273
  348    HA   GLU  46           HA       GLU  46   0.870  -4.205   5.872
  349   1HB   GLU  46           HBS      GLU  46  -0.277  -6.937   5.647
  350   2HB   GLU  46           HBR      GLU  46   0.943  -6.462   6.697
  351   1HG   GLU  46           HGR      GLU  46  -2.070  -6.097   6.895
  352   2HG   GLU  46           HGS      GLU  46  -0.882  -6.570   8.140
  353    H    GLY  47           HN       GLY  47   1.767  -3.568   3.852
  354   1HA   GLY  47           HAR      GLY  47   3.752  -4.510   2.809
  355   2HA   GLY  47           HAS      GLY  47   2.774  -5.916   2.307
  356    H    LYS  48           HN       LYS  48   0.456  -4.243   1.591
  357    HA   LYS  48           HA       LYS  48   1.480  -3.422  -1.091
  358   1HB   LYS  48           HBS      LYS  48   0.023  -5.681  -0.511
  359   2HB   LYS  48           HBR      LYS  48  -1.254  -4.499  -0.920
  360   1HG   LYS  48           HGS      LYS  48  -0.510  -5.841  -2.874
  361   2HG   LYS  48           HGR      LYS  48  -0.240  -4.089  -3.091
  362   1HD   LYS  48           HDR      LYS  48   1.592  -5.492  -3.909
  363   2HD   LYS  48           HDS      LYS  48   2.094  -4.336  -2.706
  364   1HE   LYS  48           HER      LYS  48   1.448  -6.598  -1.234
  365   2HE   LYS  48           HES      LYS  48   2.234  -7.239  -2.705
  366   1HZ   LYS  48           HZB      LYS  48   3.730  -5.103  -1.898
  367   2HZ   LYS  48           HZC      LYS  48   3.394  -5.915  -0.520
  368   3HZ   LYS  48           HZA      LYS  48   4.123  -6.683  -1.764
  369    HA   PRO  49           HA       PRO  49  -0.816   0.270  -0.126
  370   1HB   PRO  49           HBR      PRO  49   0.214   1.583  -2.231
  371   2HB   PRO  49           HBS      PRO  49   0.787   1.668  -0.694
  372   1HG   PRO  49           HGS      PRO  49   1.865   0.296  -2.877
  373   2HG   PRO  49           HGR      PRO  49   2.638   0.816  -1.493
  374   1HD   PRO  49           HDS      PRO  49   1.973  -1.720  -1.992
  375   2HD   PRO  49           HDR      PRO  49   2.325  -1.118  -0.492
  376    H    TYR  50           HN       TYR  50  -2.598   1.311  -0.861
  377    HA   TYR  50           HA       TYR  50  -3.400   0.694  -3.616
  378   1HB   TYR  50           HBR      TYR  50  -5.324   0.423  -1.274
  379   2HB   TYR  50           HBS      TYR  50  -5.759   0.374  -3.005
  380    HD1  TYR  50           HD2      TYR  50  -3.286  -1.317  -0.743
  381    HD2  TYR  50           HD1      TYR  50  -6.250  -1.778  -3.757
  382    HE1  TYR  50           HE2      TYR  50  -2.991  -3.750  -0.649
  383    HE2  TYR  50           HE1      TYR  50  -6.001  -4.220  -3.636
  384    HH   TYR  50           HH       TYR  50  -5.075  -5.793  -1.217
  385    H    CYS  51           HN       CYS  51  -5.484   2.162  -4.016
  386    HA   CYS  51           HA       CYS  51  -5.190   4.846  -3.418
  387   1HB   CYS  51           HBS      CYS  51  -7.668   3.197  -3.901
  388   2HB   CYS  51           HBR      CYS  51  -7.731   4.962  -3.625
  389    H    ASN  52           HN       ASN  52  -7.279   5.931  -2.177
  390    HA   ASN  52           HA       ASN  52  -7.318   4.804   0.564
  391   1HB   ASN  52           HBR      ASN  52  -7.026   7.478  -0.313
  392   2HB   ASN  52           HBS      ASN  52  -8.612   7.331   0.497
  393   1HD2  ASN  52           HD2      ASN  52  -5.149   6.534   2.630
  394   2HD2  ASN  52           HD2      ASN  52  -5.257   6.096   0.957
  395    H    HIS  53           HN       HIS  53  -9.255   5.853  -2.187
  396    HA   HIS  53           HA       HIS  53 -11.062   3.695  -1.658
  397   1HB   HIS  53           HBS      HIS  53 -12.099   6.512  -1.273
  398   2HB   HIS  53           HBR      HIS  53 -13.144   5.248  -1.981
  399    HD1  HIS  53           HD1      HIS  53 -13.948   3.332  -0.363
  400    HD2  HIS  53           HD2      HIS  53 -11.540   6.220   1.427
  401    HE1  HIS  53           HE1      HIS  53 -14.213   3.037   2.111
  402    HE2  HIS  53           HE2      HIS  53 -12.762   4.786   3.200
  403    HA   PRO  54           HA       PRO  54 -13.239   3.492  -2.361
  404   1HB   PRO  54           HBR      PRO  54 -14.272   1.768  -4.074
  405   2HB   PRO  54           HBS      PRO  54 -14.938   3.244  -3.788
  406   1HG   PRO  54           HGS      PRO  54 -13.739   2.367  -6.094
  407   2HG   PRO  54           HGR      PRO  54 -14.513   3.824  -5.841
  408   1HD   PRO  54           HDR      PRO  54 -11.758   3.276  -5.788
  409   2HD   PRO  54           HDS      PRO  54 -12.506   4.744  -5.948
  410    H    CYS  55           HN       CYS  55 -10.683   2.594  -4.224
  411    HA   CYS  55           HA       CYS  55 -10.803  -0.085  -4.302
  412   1HB   CYS  55           HBS      CYS  55  -8.218   1.454  -3.968
  413   2HB   CYS  55           HBR      CYS  55  -8.431  -0.150  -4.725
  414    H    TYR  56           HN       TYR  56  -9.454   1.795  -1.620
  415    HA   TYR  56           HA       TYR  56  -8.118  -0.307  -0.305
  416   1HB   TYR  56           HBR      TYR  56  -7.696   2.037   0.208
  417   2HB   TYR  56           HBS      TYR  56  -9.356   2.224   0.839
  418    HD1  TYR  56           HD2      TYR  56  -6.780  -0.433   1.400
  419    HD2  TYR  56           HD1      TYR  56  -9.168   2.618   3.153
  420    HE1  TYR  56           HE2      TYR  56  -6.082  -1.181   3.632
  421    HE2  TYR  56           HE1      TYR  56  -8.461   1.895   5.392
  422    HH   TYR  56           HH       TYR  56  -7.805  -0.621   6.264
  423    H    SER  57           HN       SER  57 -11.469   0.830  -0.104
  424    HA   SER  57           HA       SER  57 -12.112  -1.503   1.586
  425   1HB   SER  57           HBS      SER  57 -12.904   0.642   2.362
  426   2HB   SER  57           HBR      SER  57 -13.762   0.925   0.820
  427    HG   SER  57           HG       SER  57 -15.336   0.236   2.048
  428    H    ALA  58           HN       ALA  58 -11.506  -1.457  -1.410
  429    HA   ALA  58           HA       ALA  58 -14.053  -2.458  -2.467
  430   1HB   ALA  58           HMB      ALA  58 -11.362  -1.824  -3.698
  431   2HB   ALA  58           HMB      ALA  58 -12.737  -2.502  -4.607
  432   3HB   ALA  58           HMB      ALA  58 -12.882  -0.903  -3.831
  433    H    MET  59           HN       MET  59 -10.646  -3.585  -2.555
  434    HA   MET  59           HA       MET  59 -11.566  -6.167  -3.511
  435   1HB   MET  59           HBS      MET  59  -9.474  -4.720  -4.210
  436   2HB   MET  59           HBR      MET  59  -8.691  -5.620  -2.879
  437   1HG   MET  59           HGR      MET  59  -9.590  -7.745  -3.948
  438   2HG   MET  59           HGS      MET  59 -10.032  -6.763  -5.365
  439   1HE   MET  59           HME      MET  59  -7.922  -9.108  -4.331
  440   2HE   MET  59           HME      MET  59  -7.696  -9.025  -6.096
  441   3HE   MET  59           HME      MET  59  -6.297  -8.843  -5.007
  442    H    PHE  60           HN       PHE  60 -10.743  -4.786  -0.485
  443    HA   PHE  60           HA       PHE  60  -9.317  -6.844   0.718
  444   1HB   PHE  60           HBR      PHE  60 -11.072  -4.681   1.916
  445   2HB   PHE  60           HBS      PHE  60 -10.282  -5.917   2.938
  446    HD1  PHE  60           HD2      PHE  60  -8.947  -4.120  -0.118
  447    HD2  PHE  60           HD1      PHE  60  -8.699  -4.820   4.079
  448    HE1  PHE  60           HE2      PHE  60  -6.805  -2.885  -0.045
  449    HE2  PHE  60           HE1      PHE  60  -6.572  -3.601   4.177
  450    HZ   PHE  60           HZ       PHE  60  -5.592  -2.685   2.108
  451    H    GLY  61           HN       GLY  61 -10.125  -8.850   0.275
  452   1HA   GLY  61           HAR      GLY  61 -11.836  -9.876   2.349
  453   2HA   GLY  61           HAS      GLY  61 -12.647  -9.947   0.760
  454    HA   PRO  62           HA       PRO  62  -8.619 -12.281  -0.104
  455   1HB   PRO  62           HBS      PRO  62  -6.816 -12.507   1.883
  456   2HB   PRO  62           HBR      PRO  62  -6.696 -11.475   0.610
  457   1HG   PRO  62           HGS      PRO  62  -7.349 -10.919   3.269
  458   2HG   PRO  62           HGR      PRO  62  -6.807  -9.863   2.096
  459   1HD   PRO  62           HDS      PRO  62  -9.331 -10.008   2.982
  460   2HD   PRO  62           HDR      PRO  62  -8.857  -9.258   1.587
  461    H    LYS  63           HN       LYS  63  -8.051 -13.229   3.146
  462    HA   LYS  63           HA       LYS  63  -8.243 -15.273   4.174
  463   1HB   LYS  63           HBR      LYS  63 -10.668 -15.141   3.662
  464   2HB   LYS  63           HBS      LYS  63 -10.349 -15.914   2.084
  465   1HG   LYS  63           HGR      LYS  63  -9.251 -17.409   4.373
  466   2HG   LYS  63           HGS      LYS  63 -11.027 -17.227   4.420
  467   1HD   LYS  63           HDS      LYS  63  -9.728 -18.081   1.871
  468   2HD   LYS  63           HDR      LYS  63  -9.816 -19.220   3.186
  469   1HE   LYS  63           HES      LYS  63 -11.710 -19.295   1.525
  470   2HE   LYS  63           HER      LYS  63 -12.143 -19.208   3.256
  471   1HZ   LYS  63           HZB      LYS  63 -12.418 -16.818   2.939
  472   2HZ   LYS  63           HZC      LYS  63 -12.147 -16.982   1.337
  473   3HZ   LYS  63           HZA      LYS  63 -13.454 -17.684   2.020
  474    H    GLY  64           HN       GLY  64  -6.137 -15.715   3.504
  475   1HA   GLY  64           HAR      GLY  64  -5.598 -17.967   1.850
  476   2HA   GLY  64           HAS      GLY  64  -5.403 -16.479   0.886
  477    H    PHE  65           HN       PHE  65  -3.896 -18.636   2.949
  478    HA   PHE  65           HA       PHE  65  -1.403 -17.572   2.543
  479   1HB   PHE  65           HBR      PHE  65  -2.462 -15.865   4.392
  480   2HB   PHE  65           HBS      PHE  65  -1.721 -17.091   5.460
  481    HD1  PHE  65           HD2      PHE  65   0.812 -17.561   5.167
  482    HD2  PHE  65           HD1      PHE  65  -1.231 -14.321   3.300
  483    HE1  PHE  65           HE2      PHE  65   2.982 -16.473   4.694
  484    HE2  PHE  65           HE1      PHE  65   0.909 -13.222   2.817
  485    HZ   PHE  65           HZ       PHE  65   3.019 -14.324   3.458
  486    H    GLY  66           HN       GLY  66   0.291 -18.721   3.633
  487   1HA   GLY  66           HAR      GLY  66  -0.251 -21.455   4.325
  488   2HA   GLY  66           HAS      GLY  66   1.278 -20.574   4.584
  489    H    ARG  67           HN       ARG  67  -0.054 -22.449   6.356
  490    HA   ARG  67           HA       ARG  67  -1.114 -20.717   8.519
  491   1HB   ARG  67           HBR      ARG  67  -2.420 -22.693   7.440
  492   2HB   ARG  67           HBS      ARG  67  -1.350 -23.718   8.437
  493   1HG   ARG  67           HGS      ARG  67  -3.457 -23.358   9.581
  494   2HG   ARG  67           HGR      ARG  67  -2.139 -22.531  10.459
  495   1HD   ARG  67           HDS      ARG  67  -2.807 -20.472   9.079
  496   2HD   ARG  67           HDR      ARG  67  -4.316 -21.370   8.753
  497    HE   ARG  67           HE       ARG  67  -4.354 -21.528  11.368
  498   1HH1  ARG  67           HH1      ARG  67  -3.573 -18.754   9.336
  499   2HH1  ARG  67           HH1      ARG  67  -3.893 -17.607  10.594
  500   1HH2  ARG  67           HH2      ARG  67  -4.637 -20.006  13.023
  501   2HH2  ARG  67           HH2      ARG  67  -4.496 -18.314  12.680
  502    H    GLY  68           HN       GLY  68   1.754 -21.138   7.935
  503   1HA   GLY  68           HAS      GLY  68   2.915 -22.873   9.834
  504   2HA   GLY  68           HAR      GLY  68   3.712 -21.458   9.098
  505    H    GLY  69           HN       GLY  69   1.560 -19.651  10.112
  506   1HA   GLY  69           HAR      GLY  69   0.559 -19.317  12.362
  507   2HA   GLY  69           HAS      GLY  69   2.162 -19.701  13.042
  508    H    ALA  70           HN       ALA  70   1.912 -17.607  14.097
  509    HA   ALA  70           HA       ALA  70   3.661 -15.780  12.841
  510   1HB   ALA  70           HMB      ALA  70   0.773 -15.176  12.608
  511   2HB   ALA  70           HMB      ALA  70   1.809 -13.847  13.190
  512   3HB   ALA  70           HMB      ALA  70   2.158 -14.629  11.628
  513    H    GLU  71           HN       GLU  71   4.797 -16.068  14.701
  514    HA   GLU  71           HA       GLU  71   4.048 -14.164  16.769
  515   1HB   GLU  71           HBR      GLU  71   4.499 -15.785  18.593
  516   2HB   GLU  71           HBS      GLU  71   3.041 -15.916  17.772
  517   1HG   GLU  71           HGS      GLU  71   3.891 -17.724  16.332
  518   2HG   GLU  71           HGR      GLU  71   5.390 -17.807  17.298
  519    H    SER  72           HN       SER  72   5.792 -13.004  16.066
  520    HA   SER  72           HA       SER  72   7.956 -12.386  15.666
  521   1HB   SER  72           HBS      SER  72   9.482 -12.868  17.350
  522   2HB   SER  72           HBR      SER  72   7.887 -12.965  18.153
  523    HG   SER  72           HG       SER  72   8.403 -14.815  18.824
  524    H    HIS  73           HN       HIS  73  10.277 -13.284  15.290
  525    HA   HIS  73           HA       HIS  73  10.792 -15.789  14.319
  526   1HB   HIS  73           HBS      HIS  73  10.761 -15.186  11.735
  527   2HB   HIS  73           HBR      HIS  73   9.352 -15.939  12.537
  528    HD1  HIS  73           HD1      HIS  73   7.154 -14.599  12.489
  529    HD2  HIS  73           HD2      HIS  73  10.462 -12.381  11.269
  530    HE1  HIS  73           HE1      HIS  73   6.256 -12.494  11.467
  531    HE2  HIS  73           HE2      HIS  73   8.253 -11.158  10.708
  532    H    THR  74           HN       THR  74  12.667 -15.849  12.787
  533    HA   THR  74           HA       THR  74  13.978 -13.624  11.809
  534    HB   THR  74           HB       THR  74  14.354 -12.822  14.110
  535    HG1  THR  74           HG1      THR  74  15.632 -12.349  12.811
  536   1HG2  THR  74           HMG      THR  74  14.637 -15.445  14.876
  537   2HG2  THR  74           HMG      THR  74  16.318 -14.853  14.894
  538   3HG2  THR  74           HMG      THR  74  15.069 -14.021  15.858
  539    H    PHE  75           HN       PHE  75  14.232 -15.071  10.153
  540    HA   PHE  75           HA       PHE  75  16.778 -16.095   9.930
  541   1HB   PHE  75           HBR      PHE  75  15.304 -18.012  11.369
  542   2HB   PHE  75           HBS      PHE  75  15.333 -18.619   9.687
  543    HD1  PHE  75           HD2      PHE  75  18.073 -17.572   8.842
  544    HD2  PHE  75           HD1      PHE  75  16.724 -19.364  12.464
  545    HE1  PHE  75           HE2      PHE  75  20.349 -18.446   9.250
  546    HE2  PHE  75           HE1      PHE  75  18.974 -20.245  12.891
  547    HZ   PHE  75           HZ       PHE  75  20.775 -19.839  11.256
  548    H    LYS  76           HN       LYS  76  16.436 -14.878   8.071
  549    HA   LYS  76           HA       LYS  76  14.908 -16.235   5.910
  550   1HB   LYS  76           HBS      LYS  76  14.029 -13.941   7.303
  551   2HB   LYS  76           HBR      LYS  76  14.657 -13.367   5.732
  552   1HG   LYS  76           HGR      LYS  76  13.184 -15.495   4.908
  553   2HG   LYS  76           HGS      LYS  76  12.259 -15.015   6.360
  554   1HD   LYS  76           HDS      LYS  76  12.878 -12.648   4.938
  555   2HD   LYS  76           HDR      LYS  76  12.355 -13.818   3.759
  556   1HE   LYS  76           HES      LYS  76  10.412 -12.690   4.416
  557   2HE   LYS  76           HER      LYS  76  10.364 -14.288   5.215
  558   1HZ   LYS  76           HZC      LYS  76  11.659 -12.347   6.801
  559   2HZ   LYS  76           HZA      LYS  76  10.141 -11.875   6.428
  560   3HZ   LYS  76           HZB      LYS  76  10.392 -13.309   7.169
   
  No H/Q in entry =         560
  Start of MODEL   41
    1    H    PRO   1           HN       PRO   1  14.062   3.465   4.388
    2    HA   PRO   1           HA       PRO   1  15.731   1.937   5.129
    3   1HB   PRO   1           HBR      PRO   1  14.440  -0.359   5.539
    4   2HB   PRO   1           HBS      PRO   1  14.965   0.632   6.738
    5   1HG   PRO   1           HGS      PRO   1  12.352   0.217   5.857
    6   2HG   PRO   1           HGR      PRO   1  12.868   0.829   7.320
    7   1HD   PRO   1           HDR      PRO   1  11.854   2.269   5.270
    8   2HD   PRO   1           HDS      PRO   1  12.595   2.886   6.614
    9    H    LYS   2           HN       LYS   2  13.427  -0.272   3.892
   10    HA   LYS   2           HA       LYS   2  14.528   0.075   1.155
   11   1HB   LYS   2           HBR      LYS   2  14.139  -2.639   2.450
   12   2HB   LYS   2           HBS      LYS   2  14.822  -2.268   0.841
   13   1HG   LYS   2           HGR      LYS   2  16.884  -2.047   1.685
   14   2HG   LYS   2           HGS      LYS   2  16.312  -0.921   2.949
   15   1HD   LYS   2           HDR      LYS   2  17.419  -2.902   3.840
   16   2HD   LYS   2           HDS      LYS   2  15.801  -2.660   4.440
   17   1HE   LYS   2           HER      LYS   2  15.243  -4.700   3.801
   18   2HE   LYS   2           HES      LYS   2  15.670  -4.318   2.108
   19   1HZ   LYS   2           HZB      LYS   2  17.719  -5.020   4.074
   20   2HZ   LYS   2           HZC      LYS   2  16.904  -6.176   3.260
   21   3HZ   LYS   2           HZA      LYS   2  17.804  -5.085   2.445
   22    H    CYS   3           HN       CYS   3  13.223  -1.126  -0.446
   23    HA   CYS   3           HA       CYS   3  10.663  -0.059  -0.188
   24   1HB   CYS   3           HBS      CYS   3  12.131  -0.287  -2.229
   25   2HB   CYS   3           HBR      CYS   3  11.560  -1.975  -2.339
   26    HA   PRO   4           HA       PRO   4   8.229  -3.548   1.109
   27   1HB   PRO   4           HBR      PRO   4   5.948  -2.044   0.771
   28   2HB   PRO   4           HBS      PRO   4   6.634  -2.505   2.191
   29   1HG   PRO   4           HGS      PRO   4   6.527  -0.006   1.280
   30   2HG   PRO   4           HGR      PRO   4   7.511  -0.532   2.522
   31   1HD   PRO   4           HDS      PRO   4   8.198   0.023  -0.162
   32   2HD   PRO   4           HDR      PRO   4   9.167   0.057   1.179
   33    H    LYS   5           HN       LYS   5   8.279  -1.967  -1.806
   34    HA   LYS   5           HA       LYS   5   6.177  -3.615  -2.995
   35   1HB   LYS   5           HBR      LYS   5   6.992  -1.038  -3.394
   36   2HB   LYS   5           HBS      LYS   5   7.816  -1.880  -4.737
   37   1HG   LYS   5           HGR      LYS   5   5.568  -0.955  -5.340
   38   2HG   LYS   5           HGS      LYS   5   5.720  -2.719  -5.587
   39   1HD   LYS   5           HDR      LYS   5   4.532  -3.186  -3.590
   40   2HD   LYS   5           HDS      LYS   5   4.501  -1.512  -3.110
   41   1HE   LYS   5           HES      LYS   5   2.347  -2.237  -3.994
   42   2HE   LYS   5           HER      LYS   5   3.083  -0.979  -5.025
   43   1HZ   LYS   5           HZA      LYS   5   3.475  -3.808  -5.625
   44   2HZ   LYS   5           HZB      LYS   5   2.113  -3.045  -6.109
   45   3HZ   LYS   5           HZC      LYS   5   3.570  -2.521  -6.628
   46    H    CYS   6           HN       CYS   6   9.471  -2.735  -4.105
   47    HA   CYS   6           HA       CYS   6   9.289  -5.017  -5.935
   48   1HB   CYS   6           HBS      CYS   6  11.181  -3.980  -7.089
   49   2HB   CYS   6           HBR      CYS   6   9.777  -2.895  -6.906
   50    H    ASP   7           HN       ASP   7  10.837  -4.210  -2.995
   51    HA   ASP   7           HA       ASP   7  12.472  -5.151  -1.742
   52   1HB   ASP   7           HBR      ASP   7  11.671  -7.341  -3.415
   53   2HB   ASP   7           HBS      ASP   7  13.434  -7.380  -3.128
   54    H    LYS   8           HN       LYS   8  13.120  -3.034  -3.058
   55    HA   LYS   8           HA       LYS   8  16.006  -3.648  -3.251
   56   1HB   LYS   8           HBS      LYS   8  14.535  -2.197  -5.247
   57   2HB   LYS   8           HBR      LYS   8  15.604  -1.064  -4.373
   58   1HG   LYS   8           HGS      LYS   8  17.544  -2.155  -5.059
   59   2HG   LYS   8           HGR      LYS   8  16.691  -3.692  -5.380
   60   1HD   LYS   8           HDR      LYS   8  17.442  -2.595  -7.408
   61   2HD   LYS   8           HDS      LYS   8  15.711  -2.781  -7.371
   62   1HE   LYS   8           HES      LYS   8  15.942  -0.631  -8.165
   63   2HE   LYS   8           HER      LYS   8  15.746  -0.354  -6.411
   64   1HZ   LYS   8           HZA      LYS   8  18.411  -0.681  -7.542
   65   2HZ   LYS   8           HZB      LYS   8  17.657   0.763  -7.663
   66   3HZ   LYS   8           HZC      LYS   8  17.951   0.116  -6.192
   67    H    GLU   9           HN       GLU   9  17.134  -1.360  -2.744
   68    HA   GLU   9           HA       GLU   9  15.839  -0.370  -0.237
   69   1HB   GLU   9           HBR      GLU   9  18.613   0.401  -0.843
   70   2HB   GLU   9           HBS      GLU   9  17.830   0.088   0.603
   71   1HG   GLU   9           HGR      GLU   9  19.155  -1.803   0.688
   72   2HG   GLU   9           HGS      GLU   9  17.732  -2.411  -0.202
   73    H    VAL  10           HN       VAL  10  15.813   1.890   0.086
   74    HA   VAL  10           HA       VAL  10  15.347   3.187  -2.542
   75    HB   VAL  10           HB       VAL  10  13.875   3.355   0.094
   76   1HG1  VAL  10           HMG      VAL  10  14.059   5.509  -1.500
   77   2HG1  VAL  10           HMG      VAL  10  12.709   4.668  -2.298
   78   3HG1  VAL  10           HMG      VAL  10  12.597   5.094  -0.574
   79   1HG2  VAL  10           HMG      VAL  10  13.679   1.490  -1.900
   80   2HG2  VAL  10           HMG      VAL  10  12.421   1.883  -0.708
   81   3HG2  VAL  10           HMG      VAL  10  12.381   2.643  -2.315
   82    H    TYR  11           HN       TYR  11  16.566   4.807  -3.065
   83    HA   TYR  11           HA       TYR  11  18.478   5.862  -1.102
   84   1HB   TYR  11           HBR      TYR  11  18.687   5.247  -3.766
   85   2HB   TYR  11           HBS      TYR  11  18.435   7.015  -3.824
   86    HD1  TYR  11           HD1      TYR  11  20.322   4.900  -1.350
   87    HD2  TYR  11           HD2      TYR  11  20.522   7.907  -4.350
   88    HE1  TYR  11           HE1      TYR  11  22.723   5.179  -0.902
   89    HE2  TYR  11           HE2      TYR  11  22.915   8.208  -3.903
   90    HH   TYR  11           HH       TYR  11  24.749   6.719  -3.087
   91    H    PHE  12           HN       PHE  12  18.913   8.383  -1.966
   92    HA   PHE  12           HA       PHE  12  17.216   9.644  -0.217
   93   1HB   PHE  12           HBR      PHE  12  19.466  10.505  -0.753
   94   2HB   PHE  12           HBS      PHE  12  18.886  11.056  -2.350
   95    HD1  PHE  12           HD1      PHE  12  17.620  11.199   1.122
   96    HD2  PHE  12           HD2      PHE  12  18.593  13.431  -2.375
   97    HE1  PHE  12           HE1      PHE  12  16.938  13.255   2.271
   98    HE2  PHE  12           HE2      PHE  12  17.930  15.521  -1.232
   99    HZ   PHE  12           HZ       PHE  12  17.149  15.426   1.119
  100    H    ALA  13           HN       ALA  13  17.413  11.230  -3.365
  101    HA   ALA  13           HA       ALA  13  14.937  12.260  -2.971
  102   1HB   ALA  13           HMB      ALA  13  17.034  12.352  -5.011
  103   2HB   ALA  13           HMB      ALA  13  15.418  12.714  -5.668
  104   3HB   ALA  13           HMB      ALA  13  16.065  13.675  -4.314
  105    H    GLU  14           HN       GLU  14  15.514   9.227  -4.207
  106    HA   GLU  14           HA       GLU  14  12.955   9.147  -5.753
  107   1HB   GLU  14           HBS      GLU  14  15.423   7.492  -5.668
  108   2HB   GLU  14           HBR      GLU  14  14.006   6.749  -6.171
  109   1HG   GLU  14           HGR      GLU  14  15.508   7.676  -8.083
  110   2HG   GLU  14           HGS      GLU  14  13.813   8.235  -8.080
  111    H    ARG  15           HN       ARG  15  13.187   9.459  -2.893
  112    HA   ARG  15           HA       ARG  15  11.856   6.916  -2.095
  113   1HB   ARG  15           HBR      ARG  15  12.183   7.531   0.178
  114   2HB   ARG  15           HBS      ARG  15  13.745   7.696  -0.672
  115   1HG   ARG  15           HGR      ARG  15  13.102  10.211  -0.861
  116   2HG   ARG  15           HGS      ARG  15  11.936   9.834   0.438
  117   1HD   ARG  15           HDS      ARG  15  14.535   8.705   0.993
  118   2HD   ARG  15           HDR      ARG  15  14.632  10.465   0.706
  119    HE   ARG  15           HE       ARG  15  12.671  10.507   2.424
  120   1HH1  ARG  15           HH1      ARG  15  15.578   8.514   2.525
  121   2HH1  ARG  15           HH1      ARG  15  15.447   8.218   4.226
  122   1HH2  ARG  15           HH2      ARG  15  12.457   9.983   4.618
  123   2HH2  ARG  15           HH2      ARG  15  13.680   9.048   5.411
  124    H    VAL  16           HN       VAL  16   9.797   6.877  -1.451
  125    HA   VAL  16           HA       VAL  16   8.547   9.407  -0.658
  126    HB   VAL  16           HB       VAL  16   6.430   8.936  -1.667
  127   1HG1  VAL  16           HMG      VAL  16   8.400  10.034  -2.996
  128   2HG1  VAL  16           HMG      VAL  16   8.269   8.572  -4.005
  129   3HG1  VAL  16           HMG      VAL  16   6.863   9.646  -3.806
  130   1HG2  VAL  16           HMG      VAL  16   7.333   6.290  -1.870
  131   2HG2  VAL  16           HMG      VAL  16   5.761   6.952  -2.373
  132   3HG2  VAL  16           HMG      VAL  16   7.099   6.852  -3.542
  133    H    THR  17           HN       THR  17   7.493   9.263   1.206
  134    HA   THR  17           HA       THR  17   7.846   6.676   2.597
  135    HB   THR  17           HB       THR  17   7.340   9.357   3.968
  136    HG1  THR  17           HG1      THR  17   9.641   8.185   3.118
  137   1HG2  THR  17           HMG      THR  17   7.460   7.050   5.168
  138   2HG2  THR  17           HMG      THR  17   9.219   7.233   4.948
  139   3HG2  THR  17           HMG      THR  17   8.300   8.463   5.855
  140    H    SER  18           HN       SER  18   6.281   5.690   3.742
  141    HA   SER  18           HA       SER  18   3.576   6.573   4.042
  142   1HB   SER  18           HBS      SER  18   3.938   6.499   1.492
  143   2HB   SER  18           HBR      SER  18   3.917   4.723   1.688
  144    HG   SER  18           HG       SER  18   1.950   6.695   2.543
  145    H    LEU  19           HN       LEU  19   2.721   5.327   5.509
  146    HA   LEU  19           HA       LEU  19   2.542   3.695   7.096
  147   1HB   LEU  19           HBR      LEU  19   3.475   1.933   4.808
  148   2HB   LEU  19           HBS      LEU  19   2.701   1.383   6.322
  149    HG   LEU  19           HG       LEU  19   1.065   1.284   4.614
  150   1HD1  LEU  19           HMD      LEU  19   0.838   3.088   6.822
  151   2HD1  LEU  19           HMD      LEU  19  -0.056   3.772   5.441
  152   3HD1  LEU  19           HMD      LEU  19  -0.436   2.132   6.023
  153   1HD2  LEU  19           HMD      LEU  19   2.433   2.922   3.175
  154   2HD2  LEU  19           HMD      LEU  19   0.657   2.976   3.037
  155   3HD2  LEU  19           HMD      LEU  19   1.514   4.207   3.999
  156    H    GLY  20           HN       GLY  20   5.010   5.225   6.728
  157   1HA   GLY  20           HAS      GLY  20   6.878   5.461   8.047
  158   2HA   GLY  20           HAR      GLY  20   6.189   4.141   9.032
  159    H    LYS  21           HN       LYS  21   6.735   3.413   5.710
  160    HA   LYS  21           HA       LYS  21   9.574   2.855   6.021
  161   1HB   LYS  21           HBS      LYS  21   9.508   0.596   5.150
  162   2HB   LYS  21           HBR      LYS  21   8.622   0.691   6.700
  163   1HG   LYS  21           HGR      LYS  21   6.853   1.108   4.412
  164   2HG   LYS  21           HGS      LYS  21   7.721  -0.450   4.308
  165   1HD   LYS  21           HDR      LYS  21   6.062   0.527   6.618
  166   2HD   LYS  21           HDS      LYS  21   5.555  -0.644   5.432
  167   1HE   LYS  21           HES      LYS  21   7.909  -0.966   7.310
  168   2HE   LYS  21           HER      LYS  21   6.272  -1.635   7.566
  169   1HZ   LYS  21           HZB      LYS  21   7.968  -2.260   5.250
  170   2HZ   LYS  21           HZC      LYS  21   7.843  -3.203   6.578
  171   3HZ   LYS  21           HZA      LYS  21   6.538  -2.950   5.631
  172    H    ASP  22           HN       ASP  22  10.565   3.479   4.240
  173    HA   ASP  22           HA       ASP  22   8.978   5.029   2.513
  174   1HB   ASP  22           HBS      ASP  22  11.897   4.422   2.088
  175   2HB   ASP  22           HBR      ASP  22  10.966   5.856   1.569
  176    H    TRP  23           HN       TRP  23   9.355   5.106   0.093
  177    HA   TRP  23           HA       TRP  23   9.523   2.398  -1.122
  178   1HB   TRP  23           HBR      TRP  23   7.423   4.496  -1.686
  179   2HB   TRP  23           HBS      TRP  23   7.489   2.812  -2.296
  180    HD1  TRP  23           HD1      TRP  23   6.801   4.828   0.927
  181    HE1  TRP  23           HE1      TRP  23   5.092   3.522   2.335
  182    HE3  TRP  23           HE3      TRP  23   6.576   0.607  -1.901
  183    HZ2  TRP  23           HZ2      TRP  23   3.758   1.058   2.178
  184    HZ3  TRP  23           HZ3      TRP  23   5.127  -1.227  -1.158
  185    HH2  TRP  23           HH2      TRP  23   3.655  -0.968   0.770
  186    H    HIS  24           HN       ZHI  24   9.586   2.518  -3.531
  187    HA   HIS  24           HA       ZHI  24  11.227   4.725  -4.481
  188   1HB   HIS  24           HBS      ZHI  24  10.166   2.284  -5.971
  189   2HB   HIS  24           HBR      ZHI  24  11.318   3.487  -6.621
  190    HD2  HIS  24           HD2      ZHI  24  13.448   3.723  -4.297
  191    HE1  HIS  24           HE1      ZHI  24  13.313  -0.409  -3.669
  192    HE2  HIS  24           HE2      ZHI  24  14.770   1.638  -3.524
  193    H    ARG  25           HN       ARG  25  10.788   6.024  -6.277
  194    HA   ARG  25           HA       ARG  25   8.372   7.388  -5.912
  195   1HB   ARG  25           HBS      ARG  25  10.772   7.822  -7.322
  196   2HB   ARG  25           HBR      ARG  25   9.466   7.926  -8.539
  197   1HG   ARG  25           HGS      ARG  25   8.625   9.397  -6.253
  198   2HG   ARG  25           HGR      ARG  25  10.309   9.874  -6.612
  199   1HD   ARG  25           HDS      ARG  25   8.459  11.177  -7.751
  200   2HD   ARG  25           HDR      ARG  25   9.774  10.545  -8.780
  201    HE   ARG  25           HE       ARG  25   8.148   9.432  -9.948
  202   1HH1  ARG  25           HH1      ARG  25   6.912  10.005  -6.697
  203   2HH1  ARG  25           HH1      ARG  25   5.478   9.071  -6.960
  204   1HH2  ARG  25           HH2      ARG  25   6.325   8.112 -10.212
  205   2HH2  ARG  25           HH2      ARG  25   5.146   7.997  -8.948
  206    HA   PRO  26           HA       PRO  26   6.933   5.350 -10.029
  207   1HB   PRO  26           HBR      PRO  26   8.511   3.138 -10.581
  208   2HB   PRO  26           HBS      PRO  26   8.233   4.439 -11.543
  209   1HG   PRO  26           HGR      PRO  26  10.558   3.883 -10.354
  210   2HG   PRO  26           HGS      PRO  26  10.141   5.342 -11.049
  211   1HD   PRO  26           HDS      PRO  26  10.285   4.678  -8.320
  212   2HD   PRO  26           HDR      PRO  26  10.309   6.178  -9.017
  213    H    CYS  27           HN       CYS  27   8.158   3.321  -7.559
  214    HA   CYS  27           HA       CYS  27   6.667   1.043  -8.156
  215   1HB   CYS  27           HBS      CYS  27   8.135   2.061  -5.780
  216   2HB   CYS  27           HBR      CYS  27   6.967   0.735  -5.513
  217    H    LEU  28           HN       LEU  28   5.874   3.757  -6.001
  218    HA   LEU  28           HA       LEU  28   4.004   2.406  -4.464
  219   1HB   LEU  28           HBR      LEU  28   5.263   4.598  -4.118
  220   2HB   LEU  28           HBS      LEU  28   3.941   5.375  -5.033
  221    HG   LEU  28           HG       LEU  28   2.446   4.183  -3.206
  222   1HD1  LEU  28           HMD      LEU  28   5.207   4.338  -1.998
  223   2HD1  LEU  28           HMD      LEU  28   3.743   4.490  -0.993
  224   3HD1  LEU  28           HMD      LEU  28   4.025   3.006  -1.938
  225   1HD2  LEU  28           HMD      LEU  28   3.749   6.749  -3.552
  226   2HD2  LEU  28           HMD      LEU  28   2.102   6.377  -2.982
  227   3HD2  LEU  28           HMD      LEU  28   3.458   6.411  -1.826
  228    H    LYS  29           HN       LYS  29   2.551   1.213  -5.598
  229    HA   LYS  29           HA       LYS  29   0.546   2.704  -7.228
  230   1HB   LYS  29           HBR      LYS  29   2.420   0.680  -8.078
  231   2HB   LYS  29           HBS      LYS  29   0.749   0.064  -8.212
  232   1HG   LYS  29           HGR      LYS  29   0.112   1.876  -9.654
  233   2HG   LYS  29           HGS      LYS  29   1.656   2.726  -9.363
  234   1HD   LYS  29           HDR      LYS  29   1.929   1.825 -11.442
  235   2HD   LYS  29           HDS      LYS  29   2.824   0.758 -10.397
  236   1HE   LYS  29           HER      LYS  29   0.143   0.319 -11.689
  237   2HE   LYS  29           HES      LYS  29   1.652  -0.602 -11.944
  238   1HZ   LYS  29           HZC      LYS  29   1.411  -1.148  -9.501
  239   2HZ   LYS  29           HZA      LYS  29  -0.136  -0.645  -9.632
  240   3HZ   LYS  29           HZB      LYS  29   0.395  -1.898 -10.536
  241    H    CYS  30           HN       CYS  30  -1.474   1.543  -7.501
  242    HA   CYS  30           HA       CYS  30  -2.551   0.361  -5.168
  243   1HB   CYS  30           HBS      CYS  30  -3.685   1.433  -7.268
  244   2HB   CYS  30           HBR      CYS  30  -3.681  -0.250  -7.870
  245    H    GLU  31           HN       GLU  31  -3.715  -1.862  -5.379
  246    HA   GLU  31           HA       GLU  31  -2.321  -3.785  -7.116
  247   1HB   GLU  31           HBR      GLU  31  -1.576  -3.619  -4.508
  248   2HB   GLU  31           HBS      GLU  31  -2.943  -4.581  -4.344
  249   1HG   GLU  31           HGS      GLU  31  -0.653  -5.752  -4.659
  250   2HG   GLU  31           HGR      GLU  31  -2.093  -6.473  -5.427
  251    H    LYS  32           HN       LYS  32  -4.924  -2.294  -6.815
  252    HA   LYS  32           HA       LYS  32  -6.772  -4.627  -6.597
  253   1HB   LYS  32           HBR      LYS  32  -6.776  -2.031  -5.179
  254   2HB   LYS  32           HBS      LYS  32  -8.335  -2.505  -5.913
  255   1HG   LYS  32           HGR      LYS  32  -6.938  -4.635  -4.384
  256   2HG   LYS  32           HGS      LYS  32  -7.523  -3.248  -3.422
  257   1HD   LYS  32           HDS      LYS  32  -9.727  -3.622  -4.792
  258   2HD   LYS  32           HDR      LYS  32  -9.065  -5.211  -5.056
  259   1HE   LYS  32           HES      LYS  32  -9.937  -3.953  -2.490
  260   2HE   LYS  32           HER      LYS  32 -10.356  -5.536  -3.202
  261   1HZ   LYS  32           HZB      LYS  32  -7.725  -5.727  -2.858
  262   2HZ   LYS  32           HZC      LYS  32  -8.129  -4.814  -1.566
  263   3HZ   LYS  32           HZA      LYS  32  -8.835  -6.269  -1.789
  264    H    CYS  33           HN       CYS  33  -6.049  -1.464  -8.022
  265    HA   CYS  33           HA       CYS  33  -7.812  -2.243 -10.291
  266   1HB   CYS  33           HBS      CYS  33  -7.789   0.095 -11.022
  267   2HB   CYS  33           HBR      CYS  33  -8.597  -0.156  -9.450
  268    H    GLY  34           HN       GLY  34  -4.707  -0.760  -9.332
  269   1HA   GLY  34           HAR      GLY  34  -2.592  -1.325 -10.392
  270   2HA   GLY  34           HAS      GLY  34  -3.492  -1.755 -11.871
  271    H    LYS  35           HN       LYS  35  -3.170   1.028  -9.624
  272    HA   LYS  35           HA       LYS  35  -2.784   2.808 -11.949
  273   1HB   LYS  35           HBR      LYS  35  -5.261   2.767 -11.006
  274   2HB   LYS  35           HBS      LYS  35  -4.545   3.806  -9.741
  275   1HG   LYS  35           HGS      LYS  35  -3.648   4.774 -12.278
  276   2HG   LYS  35           HGR      LYS  35  -5.413   4.518 -12.381
  277   1HD   LYS  35           HDR      LYS  35  -4.035   6.011 -10.154
  278   2HD   LYS  35           HDS      LYS  35  -4.529   6.802 -11.624
  279   1HE   LYS  35           HER      LYS  35  -6.728   6.733 -11.088
  280   2HE   LYS  35           HES      LYS  35  -6.586   5.171 -10.231
  281   1HZ   LYS  35           HZC      LYS  35  -5.572   7.728  -9.195
  282   2HZ   LYS  35           HZA      LYS  35  -7.006   7.071  -8.774
  283   3HZ   LYS  35           HZB      LYS  35  -5.616   6.301  -8.403
  284    H    THR  36           HN       THR  36  -1.430   4.474 -11.550
  285    HA   THR  36           HA       THR  36   0.397   4.013  -9.400
  286    HB   THR  36           HB       THR  36   0.573   6.537 -11.062
  287    HG1  THR  36           HG1      THR  36   0.056   5.562 -12.490
  288   1HG2  THR  36           HMG      THR  36   2.552   4.424 -10.189
  289   2HG2  THR  36           HMG      THR  36   2.945   5.728 -11.340
  290   3HG2  THR  36           HMG      THR  36   2.458   6.127  -9.673
  291    H    LEU  37           HN       LEU  37   1.114   5.469  -7.811
  292    HA   LEU  37           HA       LEU  37  -1.149   7.079  -6.742
  293   1HB   LEU  37           HBR      LEU  37   0.967   5.505  -5.249
  294   2HB   LEU  37           HBS      LEU  37  -0.514   6.253  -4.586
  295    HG   LEU  37           HG       LEU  37  -0.541   3.987  -6.590
  296   1HD1  LEU  37           HMD      LEU  37  -0.289   4.006  -3.602
  297   2HD1  LEU  37           HMD      LEU  37  -1.307   2.765  -4.376
  298   3HD1  LEU  37           HMD      LEU  37   0.419   2.896  -4.804
  299   1HD2  LEU  37           HMD      LEU  37  -2.490   5.677  -5.170
  300   2HD2  LEU  37           HMD      LEU  37  -2.673   4.702  -6.651
  301   3HD2  LEU  37           HMD      LEU  37  -2.817   3.929  -5.051
  302    H    THR  38           HN       THR  38  -0.558   8.744  -5.174
  303    HA   THR  38           HA       THR  38   1.589  10.336  -6.428
  304    HB   THR  38           HB       THR  38  -0.462  11.599  -4.607
  305    HG1  THR  38           HG1      THR  38  -0.817  10.693  -7.143
  306   1HG2  THR  38           HMG      THR  38   1.342  12.492  -6.610
  307   2HG2  THR  38           HMG      THR  38  -0.313  12.824  -7.179
  308   3HG2  THR  38           HMG      THR  38   0.228  13.446  -5.598
  309    H    SER  39           HN       SER  39   2.068  12.293  -4.715
  310    HA   SER  39           HA       SER  39   4.139  11.128  -3.272
  311   1HB   SER  39           HBS      SER  39   4.150  13.482  -2.098
  312   2HB   SER  39           HBR      SER  39   4.607  13.288  -3.815
  313    HG   SER  39           HG       SER  39   3.123  15.078  -3.088
  314    H    GLY  40           HN       GLY  40   0.856  11.552  -2.377
  315   1HA   GLY  40           HAR      GLY  40   0.884   9.710  -0.380
  316   2HA   GLY  40           HAS      GLY  40   1.222  11.220   0.509
  317    H    GLY  41           HN       GLY  41  -0.967   9.996  -2.058
  318   1HA   GLY  41           HAR      GLY  41  -3.255  10.946  -0.398
  319   2HA   GLY  41           HAS      GLY  41  -3.265  11.187  -2.164
  320    H    HIS  42           HN       HIS  42  -1.586   8.368  -1.604
  321    HA   HIS  42           HA       HIS  42  -3.886   6.684  -2.114
  322   1HB   HIS  42           HBS      HIS  42  -2.292   4.846  -2.336
  323   2HB   HIS  42           HBR      HIS  42  -1.761   6.263  -3.287
  324    HD1  HIS  42           HD1      HIS  42  -0.300   3.758  -1.220
  325    HD2  HIS  42           HD2      HIS  42   0.147   7.883  -1.580
  326    HE1  HIS  42           HE1      HIS  42   1.888   4.329  -0.141
  327    HE2  HIS  42           HE2      HIS  42   2.162   6.825  -0.349
  328    H    ALA  43           HN       ALA  43  -3.304   4.322  -0.942
  329    HA   ALA  43           HA       ALA  43  -2.967   4.798   1.956
  330   1HB   ALA  43           HMB      ALA  43  -5.435   4.521   1.301
  331   2HB   ALA  43           HMB      ALA  43  -5.013   2.825   0.954
  332   3HB   ALA  43           HMB      ALA  43  -4.783   3.483   2.594
  333    H    GLU  44           HN       GLU  44  -3.119   2.250   2.838
  334    HA   GLU  44           HA       GLU  44  -2.113   0.269   1.053
  335   1HB   GLU  44           HBR      GLU  44  -0.096   1.729   1.447
  336   2HB   GLU  44           HBS      GLU  44  -0.248   1.416   3.089
  337   1HG   GLU  44           HGS      GLU  44  -0.265  -1.135   1.935
  338   2HG   GLU  44           HGR      GLU  44   1.103  -0.293   1.158
  339    H    HIS  45           HN       HIS  45  -2.035  -1.781   2.037
  340    HA   HIS  45           HA       HIS  45  -3.008  -1.885   4.846
  341   1HB   HIS  45           HBS      HIS  45  -4.779  -2.416   3.179
  342   2HB   HIS  45           HBR      HIS  45  -3.758  -3.737   2.536
  343    HD1  HIS  45           HD1      HIS  45  -5.476  -2.767   5.848
  344    HD2  HIS  45           HD2      HIS  45  -3.817  -6.062   3.914
  345    HE1  HIS  45           HE1      HIS  45  -5.941  -4.751   7.307
  346    HE2  HIS  45           HE2      HIS  45  -4.975  -6.755   6.123
  347    H    GLU  46           HN       GLU  46  -0.772  -2.084   5.462
  348    HA   GLU  46           HA       GLU  46   1.168  -3.193   5.999
  349   1HB   GLU  46           HBR      GLU  46  -1.048  -4.608   6.673
  350   2HB   GLU  46           HBS      GLU  46  -0.329  -5.704   5.624
  351   1HG   GLU  46           HGR      GLU  46   0.343  -6.005   8.126
  352   2HG   GLU  46           HGS      GLU  46   1.577  -6.074   6.839
  353    H    GLY  47           HN       GLY  47   2.286  -2.678   4.089
  354   1HA   GLY  47           HAR      GLY  47   4.108  -3.640   2.973
  355   2HA   GLY  47           HAS      GLY  47   3.220  -5.182   2.864
  356    H    LYS  48           HN       LYS  48   0.832  -3.415   1.936
  357    HA   LYS  48           HA       LYS  48   1.627  -3.343  -0.937
  358   1HB   LYS  48           HBS      LYS  48  -0.911  -4.604   0.140
  359   2HB   LYS  48           HBR      LYS  48  -0.337  -4.563  -1.551
  360   1HG   LYS  48           HGS      LYS  48   0.153  -6.743  -0.875
  361   2HG   LYS  48           HGR      LYS  48   1.708  -5.893  -0.648
  362   1HD   LYS  48           HDS      LYS  48   1.470  -5.872   1.676
  363   2HD   LYS  48           HDR      LYS  48  -0.257  -6.090   1.596
  364   1HE   LYS  48           HES      LYS  48  -0.077  -8.278   1.795
  365   2HE   LYS  48           HER      LYS  48   1.001  -8.339   0.372
  366   1HZ   LYS  48           HZC      LYS  48   2.208  -7.383   2.790
  367   2HZ   LYS  48           HZA      LYS  48   1.755  -8.953   2.829
  368   3HZ   LYS  48           HZB      LYS  48   2.784  -8.429   1.674
  369    HA   PRO  49           HA       PRO  49  -0.535   0.529  -0.231
  370   1HB   PRO  49           HBR      PRO  49   0.508   1.669  -2.403
  371   2HB   PRO  49           HBS      PRO  49   1.151   1.788  -0.895
  372   1HG   PRO  49           HGS      PRO  49   2.114   0.350  -3.065
  373   2HG   PRO  49           HGR      PRO  49   2.917   0.771  -1.667
  374   1HD   PRO  49           HDS      PRO  49   1.887  -1.684  -2.288
  375   2HD   PRO  49           HDR      PRO  49   2.612  -1.243  -0.868
  376    H    TYR  50           HN       TYR  50  -2.312   1.513  -1.052
  377    HA   TYR  50           HA       TYR  50  -3.346   0.389  -3.554
  378   1HB   TYR  50           HBR      TYR  50  -4.810   0.172  -0.907
  379   2HB   TYR  50           HBS      TYR  50  -5.651   0.167  -2.484
  380    HD1  TYR  50           HD2      TYR  50  -3.440  -1.718  -0.234
  381    HD2  TYR  50           HD1      TYR  50  -5.463  -1.780  -3.974
  382    HE1  TYR  50           HE2      TYR  50  -3.148  -4.152  -0.343
  383    HE2  TYR  50           HE1      TYR  50  -5.213  -4.222  -4.076
  384    HH   TYR  50           HH       TYR  50  -3.039  -5.855  -1.796
  385    H    CYS  51           HN       CYS  51  -5.426   1.613  -4.130
  386    HA   CYS  51           HA       CYS  51  -5.308   4.366  -3.985
  387   1HB   CYS  51           HBS      CYS  51  -7.695   2.532  -4.218
  388   2HB   CYS  51           HBR      CYS  51  -7.814   4.311  -4.327
  389    H    ASN  52           HN       ASN  52  -7.254   5.681  -2.989
  390    HA   ASN  52           HA       ASN  52  -7.587   4.940  -0.140
  391   1HB   ASN  52           HBR      ASN  52  -7.089   7.445  -1.327
  392   2HB   ASN  52           HBS      ASN  52  -8.772   7.471  -0.726
  393   1HD2  ASN  52           HD2      ASN  52  -7.093   8.641   2.200
  394   2HD2  ASN  52           HD2      ASN  52  -7.819   9.159   0.714
  395    H    HIS  53           HN       HIS  53  -9.165   5.436  -3.217
  396    HA   HIS  53           HA       HIS  53 -11.158   3.483  -2.523
  397   1HB   HIS  53           HBS      HIS  53 -12.004   6.392  -2.651
  398   2HB   HIS  53           HBR      HIS  53 -13.093   5.087  -3.201
  399    HD1  HIS  53           HD1      HIS  53 -13.923   3.373  -1.311
  400    HD2  HIS  53           HD2      HIS  53 -11.840   6.712   0.048
  401    HE1  HIS  53           HE1      HIS  53 -14.492   3.620   1.116
  402    HE2  HIS  53           HE2      HIS  53 -13.233   5.639   1.946
  403    HA   PRO  54           HA       PRO  54 -13.218   3.276  -3.311
  404   1HB   PRO  54           HBR      PRO  54 -14.269   1.335  -4.814
  405   2HB   PRO  54           HBS      PRO  54 -14.897   2.847  -4.670
  406   1HG   PRO  54           HGR      PRO  54 -13.638   1.733  -6.875
  407   2HG   PRO  54           HGS      PRO  54 -14.514   3.148  -6.778
  408   1HD   PRO  54           HDS      PRO  54 -11.781   2.889  -6.881
  409   2HD   PRO  54           HDR      PRO  54 -12.651   4.292  -6.793
  410    H    CYS  55           HN       CYS  55 -10.534   1.989  -4.579
  411    HA   CYS  55           HA       CYS  55 -10.848  -0.731  -4.218
  412   1HB   CYS  55           HBS      CYS  55  -8.269   0.840  -3.996
  413   2HB   CYS  55           HBR      CYS  55  -8.429  -0.910  -4.320
  414    H    TYR  56           HN       TYR  56  -9.427   1.613  -1.931
  415    HA   TYR  56           HA       TYR  56  -8.488  -0.283  -0.075
  416   1HB   TYR  56           HBR      TYR  56  -7.699   2.016  -0.100
  417   2HB   TYR  56           HBS      TYR  56  -9.320   2.610   0.356
  418    HD1  TYR  56           HD1      TYR  56 -10.238   1.804   2.661
  419    HD2  TYR  56           HD2      TYR  56  -6.137   1.557   1.561
  420    HE1  TYR  56           HE1      TYR  56  -9.622   1.594   5.030
  421    HE2  TYR  56           HE2      TYR  56  -5.509   1.325   3.923
  422    HH   TYR  56           HH       TYR  56  -7.724   0.361   6.237
  423    H    SER  57           HN       SER  57 -11.610   1.370  -0.360
  424    HA   SER  57           HA       SER  57 -12.687  -0.475   1.713
  425   1HB   SER  57           HBS      SER  57 -12.985   2.168   1.780
  426   2HB   SER  57           HBR      SER  57 -14.345   1.778   0.687
  427    HG   SER  57           HG       SER  57 -15.108   0.218   2.169
  428    H    ALA  58           HN       ALA  58 -11.945  -1.190  -0.986
  429    HA   ALA  58           HA       ALA  58 -14.477  -1.705  -2.382
  430   1HB   ALA  58           HMB      ALA  58 -12.411  -1.427  -3.655
  431   2HB   ALA  58           HMB      ALA  58 -11.687  -2.814  -2.801
  432   3HB   ALA  58           HMB      ALA  58 -13.094  -3.059  -3.866
  433    H    MET  59           HN       MET  59 -11.917  -3.803  -0.998
  434    HA   MET  59           HA       MET  59 -14.007  -5.868  -0.591
  435   1HB   MET  59           HBS      MET  59 -11.649  -5.962  -2.009
  436   2HB   MET  59           HBR      MET  59 -11.210  -6.735  -0.459
  437   1HG   MET  59           HGS      MET  59 -13.314  -8.162  -0.714
  438   2HG   MET  59           HGR      MET  59 -13.447  -7.506  -2.364
  439   1HE   MET  59           HME      MET  59 -12.799  -9.067  -4.092
  440   2HE   MET  59           HME      MET  59 -11.515  -7.841  -4.235
  441   3HE   MET  59           HME      MET  59 -11.113  -9.571  -4.371
  442    H    PHE  60           HN       PHE  60 -11.568  -3.955   1.005
  443    HA   PHE  60           HA       PHE  60 -11.241  -5.714   3.251
  444   1HB   PHE  60           HBR      PHE  60 -10.200  -3.013   2.498
  445   2HB   PHE  60           HBS      PHE  60 -10.272  -3.398   4.242
  446    HD1  PHE  60           HD1      PHE  60  -9.622  -5.998   4.604
  447    HD2  PHE  60           HD2      PHE  60  -8.000  -3.405   1.635
  448    HE1  PHE  60           HE1      PHE  60  -7.645  -7.442   4.452
  449    HE2  PHE  60           HE2      PHE  60  -5.998  -4.846   1.463
  450    HZ   PHE  60           HZ       PHE  60  -5.857  -6.903   2.840
  451    H    GLY  61           HN       GLY  61 -13.283  -6.100   4.070
  452   1HA   GLY  61           HAR      GLY  61 -14.460  -4.919   6.157
  453   2HA   GLY  61           HAS      GLY  61 -15.003  -3.832   4.848
  454    HA   PRO  62           HA       PRO  62 -16.385  -8.320   3.662
  455   1HB   PRO  62           HBS      PRO  62 -16.427  -9.789   6.050
  456   2HB   PRO  62           HBR      PRO  62 -15.766 -10.218   4.610
  457   1HG   PRO  62           HGS      PRO  62 -14.399  -9.535   6.774
  458   2HG   PRO  62           HGR      PRO  62 -13.768  -9.529   5.229
  459   1HD   PRO  62           HDS      PRO  62 -14.481  -7.340   6.826
  460   2HD   PRO  62           HDR      PRO  62 -13.534  -7.356   5.470
  461    H    LYS  63           HN       LYS  63 -18.261  -7.536   3.087
  462    HA   LYS  63           HA       LYS  63 -20.617  -8.014   4.620
  463   1HB   LYS  63           HBS      LYS  63 -19.161  -5.965   5.728
  464   2HB   LYS  63           HBR      LYS  63 -20.232  -5.095   4.593
  465   1HG   LYS  63           HGR      LYS  63 -21.431  -5.125   6.617
  466   2HG   LYS  63           HGS      LYS  63 -22.150  -6.452   5.659
  467   1HD   LYS  63           HDS      LYS  63 -19.892  -7.212   7.399
  468   2HD   LYS  63           HDR      LYS  63 -21.306  -6.627   8.230
  469   1HE   LYS  63           HES      LYS  63 -21.649  -8.681   6.088
  470   2HE   LYS  63           HER      LYS  63 -21.051  -9.150   7.705
  471   1HZ   LYS  63           HZC      LYS  63 -23.405  -7.468   7.553
  472   2HZ   LYS  63           HZA      LYS  63 -23.578  -9.046   7.166
  473   3HZ   LYS  63           HZB      LYS  63 -23.016  -8.624   8.639
  474    H    GLY  64           HN       GLY  64 -18.860  -6.052   2.262
  475   1HA   GLY  64           HAS      GLY  64 -21.047  -4.768   1.053
  476   2HA   GLY  64           HAR      GLY  64 -19.462  -5.043   0.285
  477    H    PHE  65           HN       PHE  65 -19.147  -6.821  -1.047
  478    HA   PHE  65           HA       PHE  65 -21.466  -8.026  -2.306
  479   1HB   PHE  65           HBS      PHE  65 -18.719  -7.793  -2.986
  480   2HB   PHE  65           HBR      PHE  65 -19.042  -9.539  -2.782
  481    HD1  PHE  65           HD2      PHE  65 -21.960  -9.568  -3.728
  482    HD2  PHE  65           HD1      PHE  65 -18.447  -7.692  -5.243
  483    HE1  PHE  65           HE2      PHE  65 -22.963  -9.531  -5.990
  484    HE2  PHE  65           HE1      PHE  65 -19.420  -7.641  -7.494
  485    HZ   PHE  65           HZ       PHE  65 -21.701  -8.503  -7.861
  486    H    GLY  66           HN       GLY  66 -22.556  -9.699  -1.642
  487   1HA   GLY  66           HAS      GLY  66 -21.188 -11.752   0.044
  488   2HA   GLY  66           HAR      GLY  66 -22.899 -11.309   0.292
  489    H    ARG  67           HN       ARG  67 -20.615 -13.081  -1.617
  490    HA   ARG  67           HA       ARG  67 -22.832 -14.236  -3.241
  491   1HB   ARG  67           HBR      ARG  67 -20.846 -15.407  -4.410
  492   2HB   ARG  67           HBS      ARG  67 -21.210 -13.701  -4.792
  493   1HG   ARG  67           HGS      ARG  67 -19.411 -13.058  -3.139
  494   2HG   ARG  67           HGR      ARG  67 -18.966 -14.787  -3.066
  495   1HD   ARG  67           HDS      ARG  67 -18.862 -14.619  -5.637
  496   2HD   ARG  67           HDR      ARG  67 -18.781 -12.857  -5.353
  497    HE   ARG  67           HE       ARG  67 -16.587 -13.136  -4.741
  498   1HH1  ARG  67           HH1      ARG  67 -18.171 -16.283  -4.602
  499   2HH1  ARG  67           HH1      ARG  67 -16.751 -17.094  -4.030
  500   1HH2  ARG  67           HH2      ARG  67 -14.790 -14.207  -3.870
  501   2HH2  ARG  67           HH2      ARG  67 -14.837 -15.920  -3.616
  502    H    GLY  68           HN       GLY  68 -19.855 -15.143  -1.455
  503   1HA   GLY  68           HAS      GLY  68 -20.954 -17.012   0.236
  504   2HA   GLY  68           HAR      GLY  68 -20.568 -17.952  -1.229
  505    H    GLY  69           HN       GLY  69 -19.429 -17.159   1.709
  506   1HA   GLY  69           HAR      GLY  69 -16.636 -17.827   0.957
  507   2HA   GLY  69           HAS      GLY  69 -16.948 -16.300   1.824
  508    H    ALA  70           HN       ALA  70 -15.318 -18.013   3.035
  509    HA   ALA  70           HA       ALA  70 -16.992 -19.025   5.286
  510   1HB   ALA  70           HMB      ALA  70 -15.743 -20.840   4.182
  511   2HB   ALA  70           HMB      ALA  70 -14.222 -19.963   4.492
  512   3HB   ALA  70           HMB      ALA  70 -15.206 -20.550   5.856
  513    H    GLU  71           HN       GLU  71 -13.681 -17.866   4.528
  514    HA   GLU  71           HA       GLU  71 -13.714 -16.383   7.123
  515   1HB   GLU  71           HBR      GLU  71 -12.385 -18.510   6.883
  516   2HB   GLU  71           HBS      GLU  71 -11.555 -17.794   5.614
  517   1HG   GLU  71           HGS      GLU  71 -10.124 -17.626   7.490
  518   2HG   GLU  71           HGR      GLU  71 -10.638 -15.967   7.084
  519    H    SER  72           HN       SER  72 -11.457 -16.508   4.358
  520    HA   SER  72           HA       SER  72 -12.171 -13.702   3.710
  521   1HB   SER  72           HBS      SER  72  -9.532 -14.742   4.447
  522   2HB   SER  72           HBR      SER  72  -9.557 -13.872   2.887
  523    HG   SER  72           HG       SER  72  -9.498 -12.971   5.421
  524    H    HIS  73           HN       HIS  73  -9.900 -16.093   2.343
  525    HA   HIS  73           HA       HIS  73 -11.794 -16.900   0.324
  526   1HB   HIS  73           HBS      HIS  73  -9.394 -15.247  -0.548
  527   2HB   HIS  73           HBR      HIS  73 -10.216 -16.420  -1.618
  528    HD1  HIS  73           HD1      HIS  73 -10.193 -12.934  -1.220
  529    HD2  HIS  73           HD2      HIS  73 -13.255 -15.758  -1.292
  530    HE1  HIS  73           HE1      HIS  73 -12.258 -11.720  -1.952
  531    HE2  HIS  73           HE2      HIS  73 -14.110 -13.427  -2.019
  532    H    THR  74           HN       THR  74  -8.251 -16.736   0.096
  533    HA   THR  74           HA       THR  74  -7.810 -19.188   1.479
  534    HB   THR  74           HB       THR  74  -6.728 -20.337  -0.646
  535    HG1  THR  74           HG1      THR  74  -8.805 -18.840  -1.559
  536   1HG2  THR  74           HMG      THR  74  -9.107 -20.774   0.699
  537   2HG2  THR  74           HMG      THR  74  -9.591 -20.744  -1.016
  538   3HG2  THR  74           HMG      THR  74  -8.322 -21.870  -0.468
  539    H    PHE  75           HN       PHE  75  -6.071 -18.271  -1.451
  540    HA   PHE  75           HA       PHE  75  -4.049 -16.870   0.223
  541   1HB   PHE  75           HBR      PHE  75  -3.086 -19.002  -0.674
  542   2HB   PHE  75           HBS      PHE  75  -3.413 -18.412  -2.329
  543    HD1  PHE  75           HD2      PHE  75  -1.921 -16.737   0.739
  544    HD2  PHE  75           HD1      PHE  75  -1.565 -17.802  -3.371
  545    HE1  PHE  75           HE2      PHE  75   0.268 -15.589   0.638
  546    HE2  PHE  75           HE1      PHE  75   0.609 -16.673  -3.496
  547    HZ   PHE  75           HZ       PHE  75   1.556 -15.618  -1.479
  548    H    LYS  76           HN       LYS  76  -5.492 -17.239  -3.023
  549    HA   LYS  76           HA       LYS  76  -5.236 -14.285  -3.364
  550   1HB   LYS  76           HBS      LYS  76  -4.940 -14.709  -5.765
  551   2HB   LYS  76           HBR      LYS  76  -3.623 -15.404  -4.776
  552   1HG   LYS  76           HGR      LYS  76  -4.937 -17.620  -4.925
  553   2HG   LYS  76           HGS      LYS  76  -5.860 -16.833  -6.238
  554   1HD   LYS  76           HDS      LYS  76  -3.050 -16.445  -6.667
  555   2HD   LYS  76           HDR      LYS  76  -3.353 -18.130  -6.349
  556   1HE   LYS  76           HES      LYS  76  -4.020 -18.406  -8.429
  557   2HE   LYS  76           HER      LYS  76  -5.396 -17.320  -8.086
  558   1HZ   LYS  76           HZA      LYS  76  -2.911 -15.999  -8.601
  559   2HZ   LYS  76           HZB      LYS  76  -3.505 -16.825  -9.879
  560   3HZ   LYS  76           HZC      LYS  76  -4.408 -15.668  -9.162
   
  No H/Q in entry =         560
  Start of MODEL   42
    1    H    PRO   1           HN       PRO   1  15.467   1.636   6.445
    2    HA   PRO   1           HA       PRO   1  13.120   2.141   6.729
    3   1HB   PRO   1           HBR      PRO   1  12.757   3.595   4.418
    4   2HB   PRO   1           HBS      PRO   1  12.422   4.070   5.952
    5   1HG   PRO   1           HGS      PRO   1  14.370   5.048   4.401
    6   2HG   PRO   1           HGR      PRO   1  14.187   5.343   6.033
    7   1HD   PRO   1           HDR      PRO   1  16.025   3.645   4.757
    8   2HD   PRO   1           HDS      PRO   1  16.088   4.259   6.292
    9    H    LYS   2           HN       LYS   2  14.319   2.107   3.456
   10    HA   LYS   2           HA       LYS   2  14.275   0.483   1.841
   11   1HB   LYS   2           HBS      LYS   2  13.646  -1.628   3.871
   12   2HB   LYS   2           HBR      LYS   2  14.752  -1.664   2.468
   13   1HG   LYS   2           HGR      LYS   2  15.261  -0.122   5.042
   14   2HG   LYS   2           HGS      LYS   2  15.927  -1.738   4.670
   15   1HD   LYS   2           HDR      LYS   2  17.177  -0.926   2.854
   16   2HD   LYS   2           HDS      LYS   2  16.391   0.628   2.872
   17   1HE   LYS   2           HER      LYS   2  18.109   1.342   4.073
   18   2HE   LYS   2           HES      LYS   2  17.450   0.391   5.434
   19   1HZ   LYS   2           HZC      LYS   2  18.746  -1.478   4.189
   20   2HZ   LYS   2           HZA      LYS   2  19.647  -0.226   3.655
   21   3HZ   LYS   2           HZB      LYS   2  19.495  -0.498   5.259
   22    H    CYS   3           HN       CYS   3  12.915  -0.894   0.630
   23    HA   CYS   3           HA       CYS   3  10.334   0.207   0.700
   24   1HB   CYS   3           HBS      CYS   3  11.818  -0.387  -1.276
   25   2HB   CYS   3           HBR      CYS   3  11.217  -2.058  -1.083
   26    HA   PRO   4           HA       PRO   4   7.948  -3.060   2.561
   27   1HB   PRO   4           HBR      PRO   4   5.652  -1.671   1.928
   28   2HB   PRO   4           HBS      PRO   4   6.305  -1.884   3.420
   29   1HG   PRO   4           HGS      PRO   4   6.189   0.433   2.127
   30   2HG   PRO   4           HGR      PRO   4   7.167   0.125   3.443
   31   1HD   PRO   4           HDS      PRO   4   7.872   0.243   0.706
   32   2HD   PRO   4           HDR      PRO   4   8.824   0.526   2.029
   33    H    LYS   5           HN       LYS   5   7.964  -1.951  -0.580
   34    HA   LYS   5           HA       LYS   5   5.816  -3.727  -1.461
   35   1HB   LYS   5           HBR      LYS   5   6.723  -1.244  -2.270
   36   2HB   LYS   5           HBS      LYS   5   7.358  -2.337  -3.533
   37   1HG   LYS   5           HGR      LYS   5   4.571  -2.928  -2.872
   38   2HG   LYS   5           HGS      LYS   5   4.793  -1.236  -3.405
   39   1HD   LYS   5           HDR      LYS   5   5.301  -1.777  -5.486
   40   2HD   LYS   5           HDS      LYS   5   6.229  -3.186  -5.049
   41   1HE   LYS   5           HES      LYS   5   4.493  -4.225  -6.080
   42   2HE   LYS   5           HER      LYS   5   3.797  -4.102  -4.440
   43   1HZ   LYS   5           HZC      LYS   5   3.365  -2.124  -6.571
   44   2HZ   LYS   5           HZA      LYS   5   2.320  -3.326  -6.208
   45   3HZ   LYS   5           HZB      LYS   5   2.639  -2.161  -5.107
   46    H    CYS   6           HN       CYS   6   9.088  -3.060  -2.771
   47    HA   CYS   6           HA       CYS   6   8.885  -5.603  -4.205
   48   1HB   CYS   6           HBS      CYS   6  10.806  -4.791  -5.487
   49   2HB   CYS   6           HBR      CYS   6   9.417  -3.671  -5.495
   50    H    ASP   7           HN       ASP   7  10.453  -4.347  -1.428
   51    HA   ASP   7           HA       ASP   7  12.075  -5.095  -0.038
   52   1HB   ASP   7           HBR      ASP   7  12.103  -7.643  -1.655
   53   2HB   ASP   7           HBS      ASP   7  12.848  -7.363  -0.055
   54    H    LYS   8           HN       LYS   8  12.793  -3.255  -1.662
   55    HA   LYS   8           HA       LYS   8  15.642  -4.037  -2.038
   56   1HB   LYS   8           HBR      LYS   8  14.038  -2.664  -3.910
   57   2HB   LYS   8           HBS      LYS   8  15.055  -1.422  -3.123
   58   1HG   LYS   8           HGR      LYS   8  16.702  -1.999  -4.517
   59   2HG   LYS   8           HGS      LYS   8  16.797  -3.566  -3.663
   60   1HD   LYS   8           HDR      LYS   8  14.654  -3.444  -5.628
   61   2HD   LYS   8           HDS      LYS   8  16.217  -3.158  -6.345
   62   1HE   LYS   8           HER      LYS   8  16.977  -5.253  -5.073
   63   2HE   LYS   8           HES      LYS   8  15.235  -5.568  -4.828
   64   1HZ   LYS   8           HZA      LYS   8  15.443  -5.012  -7.451
   65   2HZ   LYS   8           HZB      LYS   8  16.808  -5.865  -7.171
   66   3HZ   LYS   8           HZC      LYS   8  15.352  -6.509  -6.804
   67    H    GLU   9           HN       GLU   9  16.783  -1.595  -1.873
   68    HA   GLU   9           HA       GLU   9  15.608  -0.241   0.517
   69   1HB   GLU   9           HBR      GLU   9  18.395   0.367  -0.212
   70   2HB   GLU   9           HBS      GLU   9  17.607   0.352   1.265
   71   1HG   GLU   9           HGR      GLU   9  18.705  -1.565   1.814
   72   2HG   GLU   9           HGS      GLU   9  17.498  -2.309   0.732
   73    H    VAL  10           HN       VAL  10  15.620   2.046   0.412
   74    HA   VAL  10           HA       VAL  10  15.094   2.797  -2.399
   75    HB   VAL  10           HB       VAL  10  13.829   3.591   0.226
   76   1HG1  VAL  10           HMG      VAL  10  14.033   5.466  -1.617
   77   2HG1  VAL  10           HMG      VAL  10  12.689   4.566  -2.361
   78   3HG1  VAL  10           HMG      VAL  10  12.521   5.213  -0.712
   79   1HG2  VAL  10           HMG      VAL  10  13.380   1.414  -1.336
   80   2HG2  VAL  10           HMG      VAL  10  12.195   2.153  -0.235
   81   3HG2  VAL  10           HMG      VAL  10  12.167   2.565  -1.964
   82    H    TYR  11           HN       TYR  11  16.320   4.185  -3.366
   83    HA   TYR  11           HA       TYR  11  18.405   5.626  -1.856
   84   1HB   TYR  11           HBS      TYR  11  18.728   4.355  -4.098
   85   2HB   TYR  11           HBR      TYR  11  17.936   5.774  -4.836
   86    HD1  TYR  11           HD2      TYR  11  20.844   4.739  -2.752
   87    HD2  TYR  11           HD1      TYR  11  19.208   7.742  -5.281
   88    HE1  TYR  11           HE2      TYR  11  23.036   5.837  -2.853
   89    HE2  TYR  11           HE1      TYR  11  21.392   8.866  -5.368
   90    HH   TYR  11           HH       TYR  11  23.841   7.907  -5.278
   91    H    PHE  12           HN       PHE  12  18.772   7.927  -2.817
   92    HA   PHE  12           HA       PHE  12  16.875   9.392  -1.527
   93   1HB   PHE  12           HBS      PHE  12  18.961  10.324  -3.531
   94   2HB   PHE  12           HBR      PHE  12  17.874  11.463  -2.684
   95    HD1  PHE  12           HD1      PHE  12  20.250   8.702  -2.143
   96    HD2  PHE  12           HD2      PHE  12  18.577  12.272  -0.527
   97    HE1  PHE  12           HE1      PHE  12  21.778   8.528  -0.232
   98    HE2  PHE  12           HE2      PHE  12  20.120  12.130   1.400
   99    HZ   PHE  12           HZ       PHE  12  21.681  10.210   1.569
  100    H    ALA  13           HN       ALA  13  17.449  10.459  -4.848
  101    HA   ALA  13           HA       ALA  13  15.085  11.772  -4.798
  102   1HB   ALA  13           HMB      ALA  13  17.203  12.094  -6.228
  103   2HB   ALA  13           HMB      ALA  13  16.417  11.009  -7.402
  104   3HB   ALA  13           HMB      ALA  13  15.644  12.552  -6.960
  105    H    GLU  14           HN       GLU  14  15.345   8.512  -5.400
  106    HA   GLU  14           HA       GLU  14  13.043   8.337  -7.226
  107   1HB   GLU  14           HBS      GLU  14  15.125   6.610  -6.069
  108   2HB   GLU  14           HBR      GLU  14  13.710   5.803  -6.471
  109   1HG   GLU  14           HGR      GLU  14  14.340   5.823  -8.751
  110   2HG   GLU  14           HGS      GLU  14  14.480   7.596  -8.618
  111    H    ARG  15           HN       ARG  15  13.005   9.260  -4.274
  112    HA   ARG  15           HA       ARG  15  11.824   7.036  -2.869
  113   1HB   ARG  15           HBR      ARG  15  11.932   8.334  -0.927
  114   2HB   ARG  15           HBS      ARG  15  13.388   8.748  -1.868
  115   1HG   ARG  15           HGS      ARG  15  10.898  10.427  -1.448
  116   2HG   ARG  15           HGR      ARG  15  12.555  10.743  -0.864
  117   1HD   ARG  15           HDS      ARG  15  13.218  10.778  -3.331
  118   2HD   ARG  15           HDR      ARG  15  11.468  10.897  -3.663
  119    HE   ARG  15           HE       ARG  15  12.547  12.847  -1.762
  120   1HH1  ARG  15           HH1      ARG  15  11.934  12.155  -5.164
  121   2HH1  ARG  15           HH1      ARG  15  11.652  13.817  -5.564
  122   1HH2  ARG  15           HH2      ARG  15  12.041  14.992  -2.295
  123   2HH2  ARG  15           HH2      ARG  15  11.713  15.422  -3.941
  124    H    VAL  16           HN       VAL  16   9.817   6.957  -1.840
  125    HA   VAL  16           HA       VAL  16   8.023   9.202  -2.098
  126    HB   VAL  16           HB       VAL  16   6.132   8.103  -3.019
  127   1HG1  VAL  16           HMG      VAL  16   7.773   9.104  -4.596
  128   2HG1  VAL  16           HMG      VAL  16   8.454   7.480  -4.858
  129   3HG1  VAL  16           HMG      VAL  16   6.767   7.822  -5.312
  130   1HG2  VAL  16           HMG      VAL  16   7.821   5.598  -3.169
  131   2HG2  VAL  16           HMG      VAL  16   6.349   5.868  -2.205
  132   3HG2  VAL  16           HMG      VAL  16   6.251   5.807  -3.981
  133    H    THR  17           HN       THR  17   7.136   9.539  -0.221
  134    HA   THR  17           HA       THR  17   7.768   7.516   1.845
  135    HB   THR  17           HB       THR  17   7.299  10.538   2.147
  136    HG1  THR  17           HG1      THR  17   8.850  10.530   1.218
  137   1HG2  THR  17           HMG      THR  17   8.446   8.515   4.089
  138   2HG2  THR  17           HMG      THR  17   8.443  10.281   4.319
  139   3HG2  THR  17           HMG      THR  17   6.901   9.390   4.245
  140    H    SER  18           HN       SER  18   6.338   6.777   3.287
  141    HA   SER  18           HA       SER  18   3.622   7.578   3.595
  142   1HB   SER  18           HBR      SER  18   3.585   7.021   1.162
  143   2HB   SER  18           HBS      SER  18   4.014   5.342   1.597
  144    HG   SER  18           HG       SER  18   1.673   6.936   2.128
  145    H    LEU  19           HN       LEU  19   2.729   6.497   5.217
  146    HA   LEU  19           HA       LEU  19   2.626   5.186   7.085
  147   1HB   LEU  19           HBR      LEU  19   3.662   3.248   5.004
  148   2HB   LEU  19           HBS      LEU  19   3.194   2.757   6.655
  149    HG   LEU  19           HG       LEU  19   1.385   2.225   5.232
  150   1HD1  LEU  19           HMD      LEU  19   0.841   4.857   6.641
  151   2HD1  LEU  19           HMD      LEU  19  -0.411   3.754   6.015
  152   3HD1  LEU  19           HMD      LEU  19   0.676   3.220   7.322
  153   1HD2  LEU  19           HMD      LEU  19   2.317   3.960   3.503
  154   2HD2  LEU  19           HMD      LEU  19   0.582   3.555   3.518
  155   3HD2  LEU  19           HMD      LEU  19   1.152   5.064   4.277
  156    H    GLY  20           HN       GLY  20   4.974   6.831   6.644
  157   1HA   GLY  20           HAR      GLY  20   6.814   7.362   7.924
  158   2HA   GLY  20           HAS      GLY  20   6.179   6.168   9.088
  159    H    LYS  21           HN       LYS  21   6.815   4.996   5.909
  160    HA   LYS  21           HA       LYS  21   9.660   4.605   6.291
  161   1HB   LYS  21           HBS      LYS  21   7.764   2.304   6.509
  162   2HB   LYS  21           HBR      LYS  21   9.244   2.084   5.535
  163   1HG   LYS  21           HGR      LYS  21  10.591   2.041   7.355
  164   2HG   LYS  21           HGS      LYS  21   9.667   3.319   8.197
  165   1HD   LYS  21           HDS      LYS  21   8.969   1.733   9.558
  166   2HD   LYS  21           HDR      LYS  21   7.885   1.309   8.262
  167   1HE   LYS  21           HER      LYS  21   8.896  -0.609   7.812
  168   2HE   LYS  21           HES      LYS  21  10.532   0.075   8.015
  169   1HZ   LYS  21           HZA      LYS  21   9.992   0.037  10.448
  170   2HZ   LYS  21           HZB      LYS  21   8.720  -0.921  10.088
  171   3HZ   LYS  21           HZC      LYS  21  10.238  -1.417   9.747
  172    H    ASP  22           HN       ASP  22  10.596   4.882   4.396
  173    HA   ASP  22           HA       ASP  22   8.948   5.937   2.389
  174   1HB   ASP  22           HBS      ASP  22  11.865   5.259   2.041
  175   2HB   ASP  22           HBR      ASP  22  10.903   6.504   1.196
  176    H    TRP  23           HN       TRP  23   9.271   5.429   0.005
  177    HA   TRP  23           HA       TRP  23   9.496   2.512  -0.522
  178   1HB   TRP  23           HBR      TRP  23   7.359   4.395  -1.539
  179   2HB   TRP  23           HBS      TRP  23   7.484   2.631  -1.847
  180    HD1  TRP  23           HD1      TRP  23   6.771   5.155   0.994
  181    HE1  TRP  23           HE1      TRP  23   4.975   4.139   2.530
  182    HE3  TRP  23           HE3      TRP  23   6.397   0.594  -1.221
  183    HZ2  TRP  23           HZ2      TRP  23   3.497   1.758   2.654
  184    HZ3  TRP  23           HZ3      TRP  23   4.806  -1.031  -0.301
  185    HH2  TRP  23           HH2      TRP  23   3.316  -0.437   1.536
  186    H    HIS  24           HN       ZHI  24   9.289   2.236  -3.045
  187    HA   HIS  24           HA       ZHI  24  10.988   4.227  -4.388
  188   1HB   HIS  24           HBS      ZHI  24   9.905   1.578  -5.450
  189   2HB   HIS  24           HBR      ZHI  24  11.090   2.647  -6.257
  190    HD2  HIS  24           HD2      ZHI  24  13.289   3.156  -4.120
  191    HE1  HIS  24           HE1      ZHI  24  12.970  -0.754  -2.669
  192    HE2  HIS  24           HE2      ZHI  24  14.538   1.191  -2.989
  193    H    ARG  25           HN       ARG  25  10.467   5.206  -6.349
  194    HA   ARG  25           HA       ARG  25   7.857   6.383  -6.304
  195   1HB   ARG  25           HBR      ARG  25   9.860   7.588  -7.098
  196   2HB   ARG  25           HBS      ARG  25   9.969   6.467  -8.486
  197   1HG   ARG  25           HGS      ARG  25   7.755   7.263  -9.262
  198   2HG   ARG  25           HGR      ARG  25   7.722   8.427  -7.908
  199   1HD   ARG  25           HDR      ARG  25  10.082   9.079  -8.900
  200   2HD   ARG  25           HDS      ARG  25   9.364   8.398 -10.387
  201    HE   ARG  25           HE       ARG  25   7.641  10.298  -9.029
  202   1HH1  ARG  25           HH1      ARG  25  10.477  10.105 -11.114
  203   2HH1  ARG  25           HH1      ARG  25  10.071  11.548 -11.982
  204   1HH2  ARG  25           HH2      ARG  25   7.077  12.107 -10.271
  205   2HH2  ARG  25           HH2      ARG  25   8.147  12.682 -11.505
  206    HA   PRO  26           HA       PRO  26   7.279   3.588 -10.238
  207   1HB   PRO  26           HBS      PRO  26   8.899   1.426 -10.170
  208   2HB   PRO  26           HBR      PRO  26   9.009   2.664 -11.242
  209   1HG   PRO  26           HGR      PRO  26  10.638   2.110  -9.035
  210   2HG   PRO  26           HGS      PRO  26  10.953   3.084 -10.351
  211   1HD   PRO  26           HDS      PRO  26  10.365   3.970  -7.892
  212   2HD   PRO  26           HDR      PRO  26  10.305   4.883  -9.270
  213    H    CYS  27           HN       CYS  27   7.899   2.572  -7.095
  214    HA   CYS  27           HA       CYS  27   6.361   0.129  -7.326
  215   1HB   CYS  27           HBS      CYS  27   7.959   1.503  -5.223
  216   2HB   CYS  27           HBR      CYS  27   6.695   0.358  -4.694
  217    H    LEU  28           HN       LEU  28   5.966   3.164  -5.465
  218    HA   LEU  28           HA       LEU  28   3.664   2.321  -4.115
  219   1HB   LEU  28           HBS      LEU  28   5.351   4.199  -3.671
  220   2HB   LEU  28           HBR      LEU  28   4.334   5.195  -4.751
  221    HG   LEU  28           HG       LEU  28   2.496   4.215  -2.970
  222   1HD1  LEU  28           HMD      LEU  28   5.040   3.826  -1.766
  223   2HD1  LEU  28           HMD      LEU  28   4.282   5.227  -0.968
  224   3HD1  LEU  28           HMD      LEU  28   3.428   3.665  -1.026
  225   1HD2  LEU  28           HMD      LEU  28   3.539   6.620  -3.864
  226   2HD2  LEU  28           HMD      LEU  28   2.154   6.419  -2.761
  227   3HD2  LEU  28           HMD      LEU  28   3.786   6.694  -2.100
  228    H    LYS  29           HN       LYS  29   2.172   1.406  -5.467
  229    HA   LYS  29           HA       LYS  29   0.490   3.309  -7.004
  230   1HB   LYS  29           HBS      LYS  29   1.729   0.756  -8.082
  231   2HB   LYS  29           HBR      LYS  29   0.365   1.624  -8.844
  232   1HG   LYS  29           HGS      LYS  29   1.721   3.155  -9.780
  233   2HG   LYS  29           HGR      LYS  29   2.674   3.359  -8.282
  234   1HD   LYS  29           HDR      LYS  29   4.118   2.591  -9.974
  235   2HD   LYS  29           HDS      LYS  29   3.901   1.286  -8.840
  236   1HE   LYS  29           HES      LYS  29   2.000   1.278 -11.092
  237   2HE   LYS  29           HER      LYS  29   3.719   1.101 -11.544
  238   1HZ   LYS  29           HZA      LYS  29   3.539  -0.574  -9.521
  239   2HZ   LYS  29           HZB      LYS  29   2.015  -0.701 -10.093
  240   3HZ   LYS  29           HZC      LYS  29   3.283  -1.018 -11.072
  241    H    CYS  30           HN       CYS  30  -1.623   2.644  -7.285
  242    HA   CYS  30           HA       CYS  30  -2.738   0.522  -5.631
  243   1HB   CYS  30           HBS      CYS  30  -3.912   2.651  -6.443
  244   2HB   CYS  30           HBR      CYS  30  -4.080   1.795  -8.004
  245    H    GLU  31           HN       GLU  31  -3.107  -1.523  -6.155
  246    HA   GLU  31           HA       GLU  31  -2.699  -2.365  -8.996
  247   1HB   GLU  31           HBS      GLU  31  -1.890  -3.438  -6.401
  248   2HB   GLU  31           HBR      GLU  31  -2.551  -4.618  -7.395
  249   1HG   GLU  31           HGS      GLU  31  -0.228  -4.709  -7.826
  250   2HG   GLU  31           HGR      GLU  31  -0.795  -3.752  -9.223
  251    H    LYS  32           HN       LYS  32  -5.045  -1.218  -7.625
  252    HA   LYS  32           HA       LYS  32  -6.895  -3.491  -8.195
  253   1HB   LYS  32           HBR      LYS  32  -6.956  -1.466  -6.125
  254   2HB   LYS  32           HBS      LYS  32  -8.388  -1.333  -7.185
  255   1HG   LYS  32           HGR      LYS  32  -7.472  -3.741  -5.576
  256   2HG   LYS  32           HGS      LYS  32  -8.967  -2.786  -5.370
  257   1HD   LYS  32           HDR      LYS  32  -8.253  -4.617  -7.644
  258   2HD   LYS  32           HDS      LYS  32  -9.458  -4.899  -6.417
  259   1HE   LYS  32           HES      LYS  32  -9.540  -2.602  -8.386
  260   2HE   LYS  32           HER      LYS  32 -10.331  -4.185  -8.636
  261   1HZ   LYS  32           HZB      LYS  32 -11.346  -3.637  -6.353
  262   2HZ   LYS  32           HZC      LYS  32 -10.990  -2.089  -6.730
  263   3HZ   LYS  32           HZA      LYS  32 -11.977  -2.959  -7.698
  264    H    CYS  33           HN       CYS  33  -6.504   0.062  -8.533
  265    HA   CYS  33           HA       CYS  33  -7.978  -0.147 -11.088
  266   1HB   CYS  33           HBS      CYS  33  -8.315   2.244 -10.921
  267   2HB   CYS  33           HBR      CYS  33  -8.902   1.369  -9.482
  268    H    GLY  34           HN       GLY  34  -4.812   0.191  -9.887
  269   1HA   GLY  34           HAR      GLY  34  -2.869  -0.009 -11.109
  270   2HA   GLY  34           HAS      GLY  34  -3.840   0.138 -12.598
  271    H    LYS  35           HN       LYS  35  -3.438   2.359  -9.821
  272    HA   LYS  35           HA       LYS  35  -2.345   4.398 -11.703
  273   1HB   LYS  35           HBR      LYS  35  -4.699   4.732 -10.861
  274   2HB   LYS  35           HBS      LYS  35  -4.011   4.891  -9.219
  275   1HG   LYS  35           HGR      LYS  35  -4.368   7.104 -10.088
  276   2HG   LYS  35           HGS      LYS  35  -2.607   6.796 -10.078
  277   1HD   LYS  35           HDR      LYS  35  -3.014   6.007 -12.516
  278   2HD   LYS  35           HDS      LYS  35  -4.488   6.929 -12.412
  279   1HE   LYS  35           HES      LYS  35  -3.168   8.598 -13.166
  280   2HE   LYS  35           HER      LYS  35  -2.732   8.735 -11.438
  281   1HZ   LYS  35           HZC      LYS  35  -1.252   6.909 -13.156
  282   2HZ   LYS  35           HZA      LYS  35  -0.910   8.506 -13.208
  283   3HZ   LYS  35           HZB      LYS  35  -0.763   7.685 -11.805
  284    H    THR  36           HN       THR  36  -0.463   5.255 -11.236
  285    HA   THR  36           HA       THR  36   1.068   4.713  -8.865
  286    HB   THR  36           HB       THR  36   1.349   6.968 -10.933
  287    HG1  THR  36           HG1      THR  36   2.565   4.578 -10.488
  288   1HG2  THR  36           HMG      THR  36   2.555   7.115  -8.594
  289   2HG2  THR  36           HMG      THR  36   3.673   5.952  -9.352
  290   3HG2  THR  36           HMG      THR  36   3.394   7.543 -10.107
  291    H    LEU  37           HN       LEU  37   1.334   5.863  -7.038
  292    HA   LEU  37           HA       LEU  37  -0.993   7.575  -6.416
  293   1HB   LEU  37           HBS      LEU  37   0.862   6.002  -4.604
  294   2HB   LEU  37           HBR      LEU  37  -0.702   6.752  -4.171
  295    HG   LEU  37           HG       LEU  37  -0.541   4.584  -6.251
  296   1HD1  LEU  37           HMD      LEU  37  -0.420   4.358  -3.257
  297   2HD1  LEU  37           HMD      LEU  37  -1.323   3.148  -4.202
  298   3HD1  LEU  37           HMD      LEU  37   0.415   3.401  -4.506
  299   1HD2  LEU  37           HMD      LEU  37  -2.549   6.163  -4.825
  300   2HD2  LEU  37           HMD      LEU  37  -2.694   5.196  -6.315
  301   3HD2  LEU  37           HMD      LEU  37  -2.851   4.410  -4.724
  302    H    THR  38           HN       THR  38  -0.651   9.137  -4.589
  303    HA   THR  38           HA       THR  38   1.411  10.955  -5.603
  304    HB   THR  38           HB       THR  38  -0.582  11.870  -3.535
  305    HG1  THR  38           HG1      THR  38  -1.067  11.246  -6.135
  306   1HG2  THR  38           HMG      THR  38   1.072  13.119  -5.417
  307   2HG2  THR  38           HMG      THR  38  -0.590  13.341  -6.021
  308   3HG2  THR  38           HMG      THR  38  -0.162  13.871  -4.373
  309    H    SER  39           HN       SER  39   1.814  12.701  -3.614
  310    HA   SER  39           HA       SER  39   4.047  11.527  -2.458
  311   1HB   SER  39           HBR      SER  39   4.104  13.624  -1.007
  312   2HB   SER  39           HBS      SER  39   4.114  13.833  -2.782
  313    HG   SER  39           HG       SER  39   1.826  13.931  -0.989
  314    H    GLY  40           HN       GLY  40   0.796  11.457  -1.380
  315   1HA   GLY  40           HAR      GLY  40   1.013   9.328   0.223
  316   2HA   GLY  40           HAS      GLY  40   1.429  10.623   1.376
  317    H    GLY  41           HN       GLY  41  -0.987   9.987  -1.202
  318   1HA   GLY  41           HAR      GLY  41  -3.122  10.540   0.816
  319   2HA   GLY  41           HAS      GLY  41  -3.312  10.992  -0.897
  320    H    HIS  42           HN       HIS  42  -1.495   8.205  -0.854
  321    HA   HIS  42           HA       HIS  42  -3.784   6.502  -1.353
  322   1HB   HIS  42           HBS      HIS  42  -2.165   4.791  -2.005
  323   2HB   HIS  42           HBR      HIS  42  -1.789   6.350  -2.795
  324    HD1  HIS  42           HD1      HIS  42  -0.100   3.659  -1.071
  325    HD2  HIS  42           HD2      HIS  42   0.244   7.810  -1.099
  326    HE1  HIS  42           HE1      HIS  42   2.082   4.197   0.044
  327    HE2  HIS  42           HE2      HIS  42   2.367   6.696  -0.122
  328    H    ALA  43           HN       ALA  43  -2.993   4.032  -0.599
  329    HA   ALA  43           HA       ALA  43  -2.264   4.092   2.251
  330   1HB   ALA  43           HMB      ALA  43  -4.926   3.720   1.499
  331   2HB   ALA  43           HMB      ALA  43  -4.299   2.078   1.793
  332   3HB   ALA  43           HMB      ALA  43  -4.176   3.319   3.065
  333    H    GLU  44           HN       GLU  44  -2.413   1.455   2.814
  334    HA   GLU  44           HA       GLU  44  -1.546  -0.220   0.555
  335   1HB   GLU  44           HBS      GLU  44   0.495  -0.786   1.623
  336   2HB   GLU  44           HBR      GLU  44   0.506   0.809   1.100
  337   1HG   GLU  44           HGR      GLU  44   1.148   1.435   3.284
  338   2HG   GLU  44           HGS      GLU  44  -0.458   0.836   3.781
  339    H    HIS  45           HN       HIS  45  -1.714  -2.391   0.989
  340    HA   HIS  45           HA       HIS  45  -3.207  -3.027   3.481
  341   1HB   HIS  45           HBS      HIS  45  -4.684  -2.808   1.495
  342   2HB   HIS  45           HBR      HIS  45  -3.730  -4.068   0.659
  343    HD1  HIS  45           HD1      HIS  45  -5.900  -3.721   3.827
  344    HD2  HIS  45           HD2      HIS  45  -4.366  -6.624   1.266
  345    HE1  HIS  45           HE1      HIS  45  -6.891  -5.904   4.559
  346    HE2  HIS  45           HE2      HIS  45  -5.995  -7.659   2.990
  347    H    GLU  46           HN       GLU  46  -1.146  -3.740   4.326
  348    HA   GLU  46           HA       GLU  46   0.539  -5.235   4.783
  349   1HB   GLU  46           HBR      GLU  46  -1.781  -6.891   3.805
  350   2HB   GLU  46           HBS      GLU  46  -0.315  -7.606   4.199
  351   1HG   GLU  46           HGS      GLU  46  -1.972  -5.966   6.092
  352   2HG   GLU  46           HGR      GLU  46  -1.729  -7.730   6.220
  353    H    GLY  47           HN       GLY  47   2.049  -4.503   3.279
  354   1HA   GLY  47           HAR      GLY  47   3.869  -5.609   2.239
  355   2HA   GLY  47           HAS      GLY  47   2.723  -6.693   1.405
  356    H    LYS  48           HN       LYS  48   1.015  -4.239   0.800
  357    HA   LYS  48           HA       LYS  48   2.574  -3.049  -1.392
  358   1HB   LYS  48           HBR      LYS  48   0.628  -3.606  -2.966
  359   2HB   LYS  48           HBS      LYS  48   1.837  -4.880  -2.644
  360   1HG   LYS  48           HGS      LYS  48  -0.107  -5.290  -0.684
  361   2HG   LYS  48           HGR      LYS  48  -1.046  -4.852  -2.139
  362   1HD   LYS  48           HDR      LYS  48  -0.660  -6.808  -3.071
  363   2HD   LYS  48           HDS      LYS  48   1.059  -6.702  -2.812
  364   1HE   LYS  48           HER      LYS  48   0.501  -7.363  -0.371
  365   2HE   LYS  48           HES      LYS  48  -1.069  -7.880  -1.049
  366   1HZ   LYS  48           HZC      LYS  48   0.654  -8.978  -2.735
  367   2HZ   LYS  48           HZA      LYS  48   1.527  -9.054  -1.356
  368   3HZ   LYS  48           HZB      LYS  48   0.049  -9.747  -1.427
  369    HA   PRO  49           HA       PRO  49  -0.187   0.301  -0.505
  370   1HB   PRO  49           HBR      PRO  49   0.507   1.759  -2.631
  371   2HB   PRO  49           HBS      PRO  49   1.252   1.838  -1.168
  372   1HG   PRO  49           HGS      PRO  49   2.234   0.782  -3.525
  373   2HG   PRO  49           HGR      PRO  49   3.067   1.108  -2.118
  374   1HD   PRO  49           HDS      PRO  49   2.220  -1.349  -3.026
  375   2HD   PRO  49           HDR      PRO  49   3.075  -1.028  -1.647
  376    H    TYR  50           HN       TYR  50  -2.126   1.160  -1.107
  377    HA   TYR  50           HA       TYR  50  -2.964   0.633  -3.851
  378   1HB   TYR  50           HBR      TYR  50  -4.622  -0.264  -1.471
  379   2HB   TYR  50           HBS      TYR  50  -5.304   0.032  -3.094
  380    HD1  TYR  50           HD2      TYR  50  -4.765  -1.460  -4.950
  381    HD2  TYR  50           HD1      TYR  50  -3.383  -2.289  -1.016
  382    HE1  TYR  50           HE2      TYR  50  -4.277  -3.771  -5.618
  383    HE2  TYR  50           HE1      TYR  50  -2.979  -4.631  -1.644
  384    HH   TYR  50           HH       TYR  50  -2.690  -6.027  -3.348
  385    H    CYS  51           HN       CYS  51  -5.314   1.783  -3.992
  386    HA   CYS  51           HA       CYS  51  -5.313   4.438  -3.324
  387   1HB   CYS  51           HBS      CYS  51  -7.559   2.477  -3.668
  388   2HB   CYS  51           HBR      CYS  51  -7.892   4.164  -3.184
  389    H    ASN  52           HN       ASN  52  -7.144   5.424  -1.840
  390    HA   ASN  52           HA       ASN  52  -7.111   4.092   0.809
  391   1HB   ASN  52           HBR      ASN  52  -6.625   6.768   0.249
  392   2HB   ASN  52           HBS      ASN  52  -8.308   6.726   0.847
  393   1HD2  ASN  52           HD2      ASN  52  -5.145   5.761   3.318
  394   2HD2  ASN  52           HD2      ASN  52  -4.963   5.709   1.595
  395    H    HIS  53           HN       HIS  53  -8.991   5.252  -1.893
  396    HA   HIS  53           HA       HIS  53 -10.907   3.137  -1.476
  397   1HB   HIS  53           HBS      HIS  53 -11.748   5.992  -0.880
  398   2HB   HIS  53           HBR      HIS  53 -12.891   4.810  -1.583
  399    HD1  HIS  53           HD1      HIS  53 -13.594   2.770  -0.023
  400    HD2  HIS  53           HD2      HIS  53 -11.260   5.704   1.791
  401    HE1  HIS  53           HE1      HIS  53 -13.887   2.478   2.449
  402    HE2  HIS  53           HE2      HIS  53 -12.477   4.251   3.553
  403    HA   PRO  54           HA       PRO  54 -12.994   3.050  -2.076
  404   1HB   PRO  54           HBR      PRO  54 -14.227   1.529  -3.923
  405   2HB   PRO  54           HBS      PRO  54 -14.846   2.890  -3.245
  406   1HG   PRO  54           HGS      PRO  54 -14.017   2.550  -5.829
  407   2HG   PRO  54           HGR      PRO  54 -14.714   3.910  -5.160
  408   1HD   PRO  54           HDS      PRO  54 -12.041   3.489  -5.773
  409   2HD   PRO  54           HDR      PRO  54 -12.763   4.893  -5.279
  410    H    CYS  55           HN       CYS  55 -10.518   2.127  -3.949
  411    HA   CYS  55           HA       CYS  55 -10.891  -0.582  -4.278
  412   1HB   CYS  55           HBS      CYS  55  -8.233   0.835  -3.970
  413   2HB   CYS  55           HBR      CYS  55  -8.520  -0.749  -4.745
  414    H    TYR  56           HN       TYR  56  -9.593   1.122  -1.492
  415    HA   TYR  56           HA       TYR  56  -8.411  -1.200  -0.286
  416   1HB   TYR  56           HBR      TYR  56  -7.545   1.026   0.156
  417   2HB   TYR  56           HBS      TYR  56  -9.107   1.530   0.863
  418    HD1  TYR  56           HD1      TYR  56  -6.197  -0.767   1.379
  419    HD2  TYR  56           HD2      TYR  56  -9.587   1.106   3.137
  420    HE1  TYR  56           HE1      TYR  56  -5.431  -1.478   3.603
  421    HE2  TYR  56           HE2      TYR  56  -8.816   0.431   5.366
  422    HH   TYR  56           HH       TYR  56  -6.319  -1.887   5.804
  423    H    SER  57           HN       SER  57 -11.489   0.522   0.088
  424    HA   SER  57           HA       SER  57 -12.474  -1.600   1.898
  425   1HB   SER  57           HBS      SER  57 -13.588   1.050   0.999
  426   2HB   SER  57           HBR      SER  57 -14.612  -0.196   1.770
  427    HG   SER  57           HG       SER  57 -14.036   0.635   3.550
  428    H    ALA  58           HN       ALA  58 -11.715  -1.781  -1.069
  429    HA   ALA  58           HA       ALA  58 -14.172  -2.480  -2.377
  430   1HB   ALA  58           HMB      ALA  58 -11.806  -1.794  -3.302
  431   2HB   ALA  58           HMB      ALA  58 -11.518  -3.551  -3.252
  432   3HB   ALA  58           HMB      ALA  58 -12.870  -2.896  -4.212
  433    H    MET  59           HN       MET  59 -11.541  -4.363  -0.867
  434    HA   MET  59           HA       MET  59 -13.156  -6.830  -1.303
  435   1HB   MET  59           HBS      MET  59 -10.957  -6.634  -2.599
  436   2HB   MET  59           HBR      MET  59 -10.152  -6.816  -1.014
  437   1HG   MET  59           HGR      MET  59 -11.146  -8.967  -0.661
  438   2HG   MET  59           HGS      MET  59 -12.247  -8.774  -2.048
  439   1HE   MET  59           HME      MET  59 -11.572  -8.766  -4.493
  440   2HE   MET  59           HME      MET  59 -10.356  -9.964  -5.001
  441   3HE   MET  59           HME      MET  59 -11.669 -10.442  -3.895
  442    H    PHE  60           HN       PHE  60 -11.743  -4.646   0.897
  443    HA   PHE  60           HA       PHE  60 -11.786  -6.651   3.096
  444   1HB   PHE  60           HBR      PHE  60  -9.751  -4.439   3.125
  445   2HB   PHE  60           HBS      PHE  60  -9.692  -6.071   3.853
  446    HD1  PHE  60           HD2      PHE  60  -9.832  -8.017   1.831
  447    HD2  PHE  60           HD1      PHE  60  -8.287  -4.058   1.528
  448    HE1  PHE  60           HE2      PHE  60  -8.330  -8.749   0.008
  449    HE2  PHE  60           HE1      PHE  60  -6.785  -4.760  -0.281
  450    HZ   PHE  60           HZ       PHE  60  -6.735  -7.126  -0.976
  451    H    GLY  61           HN       GLY  61 -10.924  -4.886   5.082
  452   1HA   GLY  61           HAR      GLY  61 -11.843  -3.495   6.681
  453   2HA   GLY  61           HAS      GLY  61 -12.670  -2.643   5.348
  454    HA   PRO  62           HA       PRO  62 -15.682  -6.153   6.753
  455   1HB   PRO  62           HBS      PRO  62 -14.576  -7.923   8.468
  456   2HB   PRO  62           HBR      PRO  62 -14.996  -8.239   6.913
  457   1HG   PRO  62           HGS      PRO  62 -12.484  -8.077   7.974
  458   2HG   PRO  62           HGR      PRO  62 -12.883  -8.422   6.392
  459   1HD   PRO  62           HDS      PRO  62 -11.914  -6.030   7.436
  460   2HD   PRO  62           HDR      PRO  62 -12.088  -6.454   5.847
  461    H    LYS  63           HN       LYS  63 -16.068  -3.998   7.626
  462    HA   LYS  63           HA       LYS  63 -15.249  -3.624  10.389
  463   1HB   LYS  63           HBS      LYS  63 -16.191  -1.406  10.166
  464   2HB   LYS  63           HBR      LYS  63 -15.152  -1.787   8.764
  465   1HG   LYS  63           HGR      LYS  63 -17.209  -2.315   7.445
  466   2HG   LYS  63           HGS      LYS  63 -18.195  -1.788   8.841
  467   1HD   LYS  63           HDS      LYS  63 -16.356  -0.116   7.137
  468   2HD   LYS  63           HDR      LYS  63 -18.093  -0.039   7.245
  469   1HE   LYS  63           HES      LYS  63 -17.703   0.467   9.762
  470   2HE   LYS  63           HER      LYS  63 -16.052   0.876   9.214
  471   1HZ   LYS  63           HZA      LYS  63 -17.690   2.110   7.455
  472   2HZ   LYS  63           HZB      LYS  63 -18.458   2.325   8.881
  473   3HZ   LYS  63           HZC      LYS  63 -16.912   2.822   8.703
  474    H    GLY  64           HN       GLY  64 -18.024  -4.795   8.733
  475   1HA   GLY  64           HAS      GLY  64 -20.020  -3.793  10.557
  476   2HA   GLY  64           HAR      GLY  64 -20.266  -4.976   9.243
  477    H    PHE  65           HN       PHE  65 -18.535  -4.772  12.384
  478    HA   PHE  65           HA       PHE  65 -20.219  -6.350  13.828
  479   1HB   PHE  65           HBR      PHE  65 -18.850  -8.525  14.051
  480   2HB   PHE  65           HBS      PHE  65 -19.942  -8.359  12.645
  481    HD1  PHE  65           HD1      PHE  65 -16.479  -8.132  13.802
  482    HD2  PHE  65           HD2      PHE  65 -18.995  -8.373  10.372
  483    HE1  PHE  65           HE1      PHE  65 -14.510  -8.603  12.417
  484    HE2  PHE  65           HE2      PHE  65 -17.026  -8.841   8.953
  485    HZ   PHE  65           HZ       PHE  65 -14.787  -9.019  10.002
  486    H    GLY  66           HN       GLY  66 -19.180  -7.288  15.828
  487   1HA   GLY  66           HAS      GLY  66 -16.697  -5.866  16.621
  488   2HA   GLY  66           HAR      GLY  66 -18.238  -5.390  17.385
  489    H    ARG  67           HN       ARG  67 -19.579  -7.596  17.889
  490    HA   ARG  67           HA       ARG  67 -17.785  -8.991  19.806
  491   1HB   ARG  67           HBS      ARG  67 -19.441  -7.524  20.830
  492   2HB   ARG  67           HBR      ARG  67 -20.754  -8.374  19.965
  493   1HG   ARG  67           HGS      ARG  67 -20.958  -9.586  21.837
  494   2HG   ARG  67           HGR      ARG  67 -19.482 -10.430  21.287
  495   1HD   ARG  67           HDS      ARG  67 -19.427  -9.631  23.643
  496   2HD   ARG  67           HDR      ARG  67 -18.096  -9.040  22.609
  497    HE   ARG  67           HE       ARG  67 -20.418  -7.267  22.868
  498   1HH1  ARG  67           HH1      ARG  67 -17.322  -8.194  24.275
  499   2HH1  ARG  67           HH1      ARG  67 -16.984  -6.597  24.855
  500   1HH2  ARG  67           HH2      ARG  67 -19.883  -5.166  23.529
  501   2HH2  ARG  67           HH2      ARG  67 -18.434  -4.883  24.436
  502    H    GLY  68           HN       GLY  68 -17.213 -10.753  18.598
  503   1HA   GLY  68           HAS      GLY  68 -19.033 -12.934  18.511
  504   2HA   GLY  68           HAR      GLY  68 -18.806 -12.316  16.852
  505    H    GLY  69           HN       GLY  69 -17.780 -14.606  18.894
  506   1HA   GLY  69           HAR      GLY  69 -16.203 -16.102  17.674
  507   2HA   GLY  69           HAS      GLY  69 -15.066 -14.729  17.644
  508    H    ALA  70           HN       ALA  70 -16.974 -16.747  19.901
  509    HA   ALA  70           HA       ALA  70 -15.068 -16.201  22.051
  510   1HB   ALA  70           HMB      ALA  70 -17.803 -16.694  21.888
  511   2HB   ALA  70           HMB      ALA  70 -17.126 -18.166  22.628
  512   3HB   ALA  70           HMB      ALA  70 -16.813 -16.574  23.366
  513    H    GLU  71           HN       GLU  71 -16.139 -18.923  20.041
  514    HA   GLU  71           HA       GLU  71 -15.061 -20.995  21.582
  515   1HB   GLU  71           HBR      GLU  71 -16.619 -20.785  19.429
  516   2HB   GLU  71           HBS      GLU  71 -15.167 -21.004  18.616
  517   1HG   GLU  71           HGS      GLU  71 -15.668 -23.174  18.666
  518   2HG   GLU  71           HGR      GLU  71 -14.841 -23.132  20.247
  519    H    SER  72           HN       SER  72 -13.080 -21.586  22.030
  520    HA   SER  72           HA       SER  72 -11.078 -21.610  19.897
  521   1HB   SER  72           HBS      SER  72  -9.868 -20.756  22.427
  522   2HB   SER  72           HBR      SER  72  -9.549 -20.232  20.748
  523    HG   SER  72           HG       SER  72 -11.488 -19.396  22.718
  524    H    HIS  73           HN       HIS  73  -9.966 -23.426  19.904
  525    HA   HIS  73           HA       HIS  73 -10.854 -25.442  21.799
  526   1HB   HIS  73           HBR      HIS  73  -9.744 -27.071  20.349
  527   2HB   HIS  73           HBS      HIS  73 -10.805 -25.991  19.399
  528    HD1  HIS  73           HD1      HIS  73  -7.341 -27.260  19.512
  529    HD2  HIS  73           HD2      HIS  73  -9.311 -23.910  18.015
  530    HE1  HIS  73           HE1      HIS  73  -5.848 -26.293  17.745
  531    HE2  HIS  73           HE2      HIS  73  -7.046 -24.279  16.819
  532    H    THR  74           HN       THR  74  -9.677 -26.588  23.217
  533    HA   THR  74           HA       THR  74  -7.086 -25.593  24.097
  534    HB   THR  74           HB       THR  74  -8.501 -26.470  25.841
  535    HG1  THR  74           HG1      THR  74  -6.751 -26.822  26.258
  536   1HG2  THR  74           HMG      THR  74  -9.498 -28.267  23.989
  537   2HG2  THR  74           HMG      THR  74  -8.560 -29.294  25.105
  538   3HG2  THR  74           HMG      THR  74  -9.851 -28.241  25.736
  539    H    PHE  75           HN       PHE  75  -8.292 -28.649  22.664
  540    HA   PHE  75           HA       PHE  75  -6.237 -28.652  20.707
  541   1HB   PHE  75           HBR      PHE  75  -5.055 -30.728  21.249
  542   2HB   PHE  75           HBS      PHE  75  -4.765 -29.484  22.500
  543    HD1  PHE  75           HD2      PHE  75  -6.866 -32.556  21.824
  544    HD2  PHE  75           HD1      PHE  75  -5.235 -29.837  24.672
  545    HE1  PHE  75           HE2      PHE  75  -7.547 -34.075  23.654
  546    HE2  PHE  75           HE1      PHE  75  -5.897 -31.328  26.505
  547    HZ   PHE  75           HZ       PHE  75  -6.999 -33.475  25.996
  548    H    LYS  76           HN       LYS  76  -8.609 -30.491  22.584
  549    HA   LYS  76           HA       LYS  76 -10.412 -31.745  21.933
  550   1HB   LYS  76           HBS      LYS  76 -10.014 -29.696  19.886
  551   2HB   LYS  76           HBR      LYS  76 -10.805 -31.165  19.245
  552   1HG   LYS  76           HGR      LYS  76 -12.235 -30.819  21.524
  553   2HG   LYS  76           HGS      LYS  76 -11.807 -29.121  21.165
  554   1HD   LYS  76           HDS      LYS  76 -13.559 -29.078  19.838
  555   2HD   LYS  76           HDR      LYS  76 -12.567 -29.979  18.725
  556   1HE   LYS  76           HES      LYS  76 -14.736 -31.019  18.935
  557   2HE   LYS  76           HER      LYS  76 -13.444 -32.082  19.561
  558   1HZ   LYS  76           HZB      LYS  76 -14.219 -30.685  21.714
  559   2HZ   LYS  76           HZC      LYS  76 -15.637 -30.907  20.936
  560   3HZ   LYS  76           HZA      LYS  76 -14.720 -32.194  21.343
   
  No H/Q in entry =         560
  Start of MODEL   43
    1    H    PRO   1           HN       PRO   1  16.580   3.062   5.620
    2    HA   PRO   1           HA       PRO   1  14.309   2.763   5.246
    3   1HB   PRO   1           HBS      PRO   1  14.018   4.260   2.917
    4   2HB   PRO   1           HBR      PRO   1  13.147   4.382   4.303
    5   1HG   PRO   1           HGS      PRO   1  14.906   6.167   3.420
    6   2HG   PRO   1           HGR      PRO   1  14.338   6.099   4.987
    7   1HD   PRO   1           HDR      PRO   1  16.853   5.325   4.002
    8   2HD   PRO   1           HDS      PRO   1  16.421   5.666   5.562
    9    H    LYS   2           HN       LYS   2  13.021   1.786   3.388
   10    HA   LYS   2           HA       LYS   2  14.541   0.342   1.411
   11   1HB   LYS   2           HBR      LYS   2  15.532  -0.667   3.422
   12   2HB   LYS   2           HBS      LYS   2  13.900  -1.096   4.010
   13   1HG   LYS   2           HGS      LYS   2  14.668  -2.064   1.288
   14   2HG   LYS   2           HGR      LYS   2  15.479  -2.824   2.687
   15   1HD   LYS   2           HDS      LYS   2  12.497  -2.609   2.185
   16   2HD   LYS   2           HDR      LYS   2  13.485  -4.017   1.915
   17   1HE   LYS   2           HER      LYS   2  12.847  -4.640   3.934
   18   2HE   LYS   2           HES      LYS   2  14.088  -3.493   4.512
   19   1HZ   LYS   2           HZC      LYS   2  11.628  -2.222   3.943
   20   2HZ   LYS   2           HZA      LYS   2  11.440  -3.400   5.059
   21   3HZ   LYS   2           HZB      LYS   2  12.516  -2.197   5.314
   22    H    CYS   3           HN       CYS   3  13.228  -0.783   0.090
   23    HA   CYS   3           HA       CYS   3  10.585   0.136   0.149
   24   1HB   CYS   3           HBS      CYS   3  12.164  -0.245  -1.806
   25   2HB   CYS   3           HBR      CYS   3  11.662  -1.958  -1.733
   26    HA   PRO   4           HA       PRO   4   8.384  -3.358   1.798
   27   1HB   PRO   4           HBR      PRO   4   6.020  -2.058   1.184
   28   2HB   PRO   4           HBS      PRO   4   6.639  -2.358   2.675
   29   1HG   PRO   4           HGS      PRO   4   6.440   0.046   1.581
   30   2HG   PRO   4           HGR      PRO   4   7.423  -0.325   2.879
   31   1HD   PRO   4           HDS      PRO   4   8.141   0.059   0.170
   32   2HD   PRO   4           HDR      PRO   4   9.070   0.268   1.523
   33    H    LYS   5           HN       LYS   5   8.415  -2.135  -1.287
   34    HA   LYS   5           HA       LYS   5   6.461  -4.057  -2.305
   35   1HB   LYS   5           HBR      LYS   5   7.186  -1.469  -2.987
   36   2HB   LYS   5           HBS      LYS   5   7.918  -2.462  -4.280
   37   1HG   LYS   5           HGR      LYS   5   5.275  -3.441  -3.865
   38   2HG   LYS   5           HGS      LYS   5   5.173  -1.659  -3.934
   39   1HD   LYS   5           HDS      LYS   5   4.905  -2.281  -6.131
   40   2HD   LYS   5           HDR      LYS   5   6.564  -1.761  -6.010
   41   1HE   LYS   5           HER      LYS   5   6.991  -4.323  -5.546
   42   2HE   LYS   5           HES      LYS   5   5.476  -4.481  -6.481
   43   1HZ   LYS   5           HZC      LYS   5   6.795  -2.791  -7.980
   44   2HZ   LYS   5           HZA      LYS   5   8.076  -3.574  -7.336
   45   3HZ   LYS   5           HZB      LYS   5   6.937  -4.408  -8.157
   46    H    CYS   6           HN       CYS   6   9.692  -3.046  -3.486
   47    HA   CYS   6           HA       CYS   6   9.697  -5.490  -5.083
   48   1HB   CYS   6           HBS      CYS   6  11.547  -4.445  -6.298
   49   2HB   CYS   6           HBR      CYS   6  10.079  -3.431  -6.222
   50    H    ASP   7           HN       ASP   7  11.157  -4.346  -2.207
   51    HA   ASP   7           HA       ASP   7  12.824  -5.087  -0.862
   52   1HB   ASP   7           HBR      ASP   7  11.964  -7.412  -1.859
   53   2HB   ASP   7           HBS      ASP   7  13.629  -7.404  -2.511
   54    H    LYS   8           HN       LYS   8  13.343  -3.034  -2.302
   55    HA   LYS   8           HA       LYS   8  16.266  -3.463  -2.548
   56   1HB   LYS   8           HBS      LYS   8  14.686  -2.378  -4.620
   57   2HB   LYS   8           HBR      LYS   8  15.476  -0.990  -3.821
   58   1HG   LYS   8           HGS      LYS   8  17.600  -1.673  -4.423
   59   2HG   LYS   8           HGR      LYS   8  17.137  -3.396  -4.523
   60   1HD   LYS   8           HDR      LYS   8  17.681  -2.380  -6.683
   61   2HD   LYS   8           HDS      LYS   8  16.077  -3.055  -6.625
   62   1HE   LYS   8           HES      LYS   8  15.547  -1.086  -7.605
   63   2HE   LYS   8           HER      LYS   8  15.517  -0.527  -5.908
   64   1HZ   LYS   8           HZB      LYS   8  18.118  -0.431  -6.956
   65   2HZ   LYS   8           HZC      LYS   8  17.105   0.409  -7.921
   66   3HZ   LYS   8           HZA      LYS   8  17.213   0.777  -6.335
   67    H    GLU   9           HN       GLU   9  17.342  -1.222  -2.129
   68    HA   GLU   9           HA       GLU   9  15.998   0.068   0.205
   69   1HB   GLU   9           HBR      GLU   9  18.691   0.935  -0.560
   70   2HB   GLU   9           HBS      GLU   9  17.971   0.703   0.933
   71   1HG   GLU   9           HGS      GLU   9  19.001  -1.553  -0.766
   72   2HG   GLU   9           HGR      GLU   9  19.826  -0.940   0.692
   73    H    VAL  10           HN       VAL  10  15.798   2.322   0.235
   74    HA   VAL  10           HA       VAL  10  15.245   3.253  -2.519
   75    HB   VAL  10           HB       VAL  10  13.832   3.668   0.118
   76   1HG1  VAL  10           HMG      VAL  10  13.785   5.768  -1.260
   77   2HG1  VAL  10           HMG      VAL  10  12.938   4.844  -2.524
   78   3HG1  VAL  10           HMG      VAL  10  12.192   5.048  -0.920
   79   1HG2  VAL  10           HMG      VAL  10  13.665   1.603  -1.641
   80   2HG2  VAL  10           HMG      VAL  10  12.382   2.105  -0.516
   81   3HG2  VAL  10           HMG      VAL  10  12.346   2.666  -2.203
   82    H    TYR  11           HN       TYR  11  16.344   4.848  -3.306
   83    HA   TYR  11           HA       TYR  11  18.217   6.399  -1.703
   84   1HB   TYR  11           HBR      TYR  11  18.788   5.775  -3.986
   85   2HB   TYR  11           HBS      TYR  11  17.345   6.624  -4.608
   86    HD1  TYR  11           HD2      TYR  11  20.736   7.026  -3.256
   87    HD2  TYR  11           HD1      TYR  11  17.318   9.084  -4.727
   88    HE1  TYR  11           HE2      TYR  11  22.096   9.045  -3.566
   89    HE2  TYR  11           HE1      TYR  11  18.661  11.122  -5.016
   90    HH   TYR  11           HH       TYR  11  20.580  12.125  -4.535
   91    H    PHE  12           HN       PHE  12  18.187   8.796  -1.877
   92    HA   PHE  12           HA       PHE  12  16.035   9.695  -0.460
   93   1HB   PHE  12           HBS      PHE  12  17.922  11.461  -2.085
   94   2HB   PHE  12           HBR      PHE  12  16.840  12.009  -0.772
   95    HD1  PHE  12           HD1      PHE  12  17.030  10.272   1.302
   96    HD2  PHE  12           HD2      PHE  12  20.193  11.370  -1.334
   97    HE1  PHE  12           HE1      PHE  12  18.658   9.642   3.026
   98    HE2  PHE  12           HE2      PHE  12  21.853  10.772   0.399
   99    HZ   PHE  12           HZ       PHE  12  21.072   9.835   2.556
  100    H    ALA  13           HN       ALA  13  16.696  11.547  -3.400
  101    HA   ALA  13           HA       ALA  13  14.162  12.491  -3.403
  102   1HB   ALA  13           HMB      ALA  13  16.532  12.965  -4.776
  103   2HB   ALA  13           HMB      ALA  13  15.351  12.642  -6.071
  104   3HB   ALA  13           HMB      ALA  13  15.043  13.937  -4.887
  105    H    GLU  14           HN       GLU  14  14.991   9.475  -4.538
  106    HA   GLU  14           HA       GLU  14  12.454   9.276  -6.110
  107   1HB   GLU  14           HBS      GLU  14  14.873   7.525  -5.971
  108   2HB   GLU  14           HBR      GLU  14  13.476   7.040  -6.765
  109   1HG   GLU  14           HGS      GLU  14  13.873   8.441  -8.579
  110   2HG   GLU  14           HGR      GLU  14  14.639   9.722  -7.600
  111    H    ARG  15           HN       ARG  15  12.605   9.583  -3.277
  112    HA   ARG  15           HA       ARG  15  11.545   6.930  -2.449
  113   1HB   ARG  15           HBR      ARG  15  11.684   7.670  -0.192
  114   2HB   ARG  15           HBS      ARG  15  13.249   8.006  -0.987
  115   1HG   ARG  15           HGS      ARG  15  12.206  10.403  -1.328
  116   2HG   ARG  15           HGR      ARG  15  11.162   9.907   0.034
  117   1HD   ARG  15           HDR      ARG  15  14.136   9.568   0.160
  118   2HD   ARG  15           HDS      ARG  15  13.373  11.145   0.506
  119    HE   ARG  15           HE       ARG  15  11.958   9.591   2.136
  120   1HH1  ARG  15           HH1      ARG  15  15.389   9.225   1.408
  121   2HH1  ARG  15           HH1      ARG  15  15.791   8.743   3.020
  122   1HH2  ARG  15           HH2      ARG  15  12.547   9.100   4.269
  123   2HH2  ARG  15           HH2      ARG  15  14.185   8.675   4.641
  124    H    VAL  16           HN       VAL  16   9.517   6.740  -1.529
  125    HA   VAL  16           HA       VAL  16   7.948   9.173  -1.157
  126    HB   VAL  16           HB       VAL  16   5.916   8.329  -2.094
  127   1HG1  VAL  16           HMG      VAL  16   8.290   8.449  -3.924
  128   2HG1  VAL  16           HMG      VAL  16   6.683   8.051  -4.578
  129   3HG1  VAL  16           HMG      VAL  16   6.939   9.591  -3.722
  130   1HG2  VAL  16           HMG      VAL  16   7.495   5.843  -2.751
  131   2HG2  VAL  16           HMG      VAL  16   6.001   6.001  -1.797
  132   3HG2  VAL  16           HMG      VAL  16   5.963   6.257  -3.558
  133    H    THR  17           HN       THR  17   6.475   9.025   0.527
  134    HA   THR  17           HA       THR  17   7.234   6.848   2.407
  135    HB   THR  17           HB       THR  17   6.481   9.737   3.125
  136    HG1  THR  17           HG1      THR  17   8.014  10.091   2.253
  137   1HG2  THR  17           HMG      THR  17   7.595   7.418   4.682
  138   2HG2  THR  17           HMG      THR  17   7.945   9.097   5.168
  139   3HG2  THR  17           HMG      THR  17   6.259   8.525   5.092
  140    H    SER  18           HN       SER  18   5.751   5.865   3.637
  141    HA   SER  18           HA       SER  18   3.022   6.527   3.923
  142   1HB   SER  18           HBR      SER  18   3.057   6.300   1.425
  143   2HB   SER  18           HBS      SER  18   3.476   4.577   1.655
  144    HG   SER  18           HG       SER  18   1.254   5.895   2.963
  145    H    LEU  19           HN       LEU  19   2.318   5.358   5.530
  146    HA   LEU  19           HA       LEU  19   2.348   3.888   7.276
  147   1HB   LEU  19           HBR      LEU  19   3.322   1.979   5.128
  148   2HB   LEU  19           HBS      LEU  19   2.655   1.530   6.724
  149    HG   LEU  19           HG       LEU  19   0.964   1.131   5.122
  150   1HD1  LEU  19           HMD      LEU  19   0.296   2.337   7.223
  151   2HD1  LEU  19           HMD      LEU  19   0.339   3.857   6.294
  152   3HD1  LEU  19           HMD      LEU  19  -0.811   2.573   5.846
  153   1HD2  LEU  19           HMD      LEU  19   2.167   2.743   3.478
  154   2HD2  LEU  19           HMD      LEU  19   0.398   2.560   3.369
  155   3HD2  LEU  19           HMD      LEU  19   1.098   3.988   4.172
  156    H    GLY  20           HN       GLY  20   4.664   5.559   6.634
  157   1HA   GLY  20           HAS      GLY  20   6.544   6.075   7.851
  158   2HA   GLY  20           HAR      GLY  20   6.007   4.796   8.974
  159    H    LYS  21           HN       LYS  21   6.522   3.834   5.704
  160    HA   LYS  21           HA       LYS  21   9.403   3.434   6.025
  161   1HB   LYS  21           HBS      LYS  21   7.927   1.083   4.912
  162   2HB   LYS  21           HBR      LYS  21   9.531   1.178   5.691
  163   1HG   LYS  21           HGR      LYS  21   8.683   0.874   7.786
  164   2HG   LYS  21           HGS      LYS  21   7.172   1.756   7.422
  165   1HD   LYS  21           HDS      LYS  21   7.793  -1.013   6.397
  166   2HD   LYS  21           HDR      LYS  21   6.973  -0.695   7.902
  167   1HE   LYS  21           HES      LYS  21   5.043  -0.542   6.854
  168   2HE   LYS  21           HER      LYS  21   5.673   0.861   5.944
  169   1HZ   LYS  21           HZC      LYS  21   6.493  -1.744   5.028
  170   2HZ   LYS  21           HZA      LYS  21   4.920  -1.368   4.796
  171   3HZ   LYS  21           HZB      LYS  21   6.088  -0.413   4.173
  172    H    ASP  22           HN       ASP  22  10.404   3.901   4.189
  173    HA   ASP  22           HA       ASP  22   8.788   5.279   2.301
  174   1HB   ASP  22           HBS      ASP  22  11.739   4.776   2.009
  175   2HB   ASP  22           HBR      ASP  22  10.759   6.129   1.376
  176    H    TRP  23           HN       TRP  23   9.220   5.133  -0.093
  177    HA   TRP  23           HA       TRP  23   9.521   2.325  -1.020
  178   1HB   TRP  23           HBR      TRP  23   7.367   4.277  -1.849
  179   2HB   TRP  23           HBS      TRP  23   7.511   2.545  -2.288
  180    HD1  TRP  23           HD1      TRP  23   6.656   4.835   0.703
  181    HE1  TRP  23           HE1      TRP  23   4.915   3.621   2.157
  182    HE3  TRP  23           HE3      TRP  23   6.655   0.360  -1.714
  183    HZ2  TRP  23           HZ2      TRP  23   3.632   1.128   2.165
  184    HZ3  TRP  23           HZ3      TRP  23   5.217  -1.435  -0.860
  185    HH2  TRP  23           HH2      TRP  23   3.641  -1.028   0.957
  186    H    HIS  24           HN       ZHI  24   9.585   2.235  -3.457
  187    HA   HIS  24           HA       ZHI  24  11.092   4.473  -4.605
  188   1HB   HIS  24           HBS      ZHI  24  10.271   1.843  -5.914
  189   2HB   HIS  24           HBR      ZHI  24  11.400   3.063  -6.573
  190    HD2  HIS  24           HD2      ZHI  24  13.442   3.555  -4.269
  191    HE1  HIS  24           HE1      ZHI  24  13.390  -0.486  -3.195
  192    HE2  HIS  24           HE2      ZHI  24  14.793   1.605  -3.238
  193    H    ARG  25           HN       ARG  25  10.488   5.712  -6.317
  194    HA   ARG  25           HA       ARG  25   7.766   6.559  -6.215
  195   1HB   ARG  25           HBR      ARG  25   9.693   8.048  -6.764
  196   2HB   ARG  25           HBS      ARG  25   9.836   7.216  -8.338
  197   1HG   ARG  25           HGS      ARG  25   7.126   8.062  -8.029
  198   2HG   ARG  25           HGR      ARG  25   8.188   9.438  -7.617
  199   1HD   ARG  25           HDR      ARG  25   7.528   9.244 -10.027
  200   2HD   ARG  25           HDS      ARG  25   9.282   9.337  -9.701
  201    HE   ARG  25           HE       ARG  25   8.939   6.682  -9.830
  202   1HH1  ARG  25           HH1      ARG  25   7.387   9.121 -11.849
  203   2HH1  ARG  25           HH1      ARG  25   7.474   8.148 -13.280
  204   1HH2  ARG  25           HH2      ARG  25   9.152   5.492 -11.747
  205   2HH2  ARG  25           HH2      ARG  25   8.472   6.095 -13.224
  206    HA   PRO  26           HA       PRO  26   7.653   4.125 -10.500
  207   1HB   PRO  26           HBR      PRO  26   9.507   2.092  -9.988
  208   2HB   PRO  26           HBS      PRO  26   9.338   2.991 -11.352
  209   1HG   PRO  26           HGS      PRO  26  11.322   3.226  -9.596
  210   2HG   PRO  26           HGR      PRO  26  10.952   4.342 -10.779
  211   1HD   PRO  26           HDS      PRO  26  10.549   4.549  -8.029
  212   2HD   PRO  26           HDR      PRO  26  10.424   5.736  -9.174
  213    H    CYS  27           HN       CYS  27   8.267   2.805  -7.399
  214    HA   CYS  27           HA       CYS  27   6.852   0.372  -7.939
  215   1HB   CYS  27           HBS      CYS  27   8.260   1.597  -5.618
  216   2HB   CYS  27           HBR      CYS  27   7.067   0.309  -5.285
  217    H    LEU  28           HN       LEU  28   6.161   3.094  -5.711
  218    HA   LEU  28           HA       LEU  28   3.916   1.905  -4.579
  219   1HB   LEU  28           HBR      LEU  28   5.393   3.827  -3.809
  220   2HB   LEU  28           HBS      LEU  28   4.371   4.886  -4.824
  221    HG   LEU  28           HG       LEU  28   2.476   3.662  -3.334
  222   1HD1  LEU  28           HMD      LEU  28   5.001   3.816  -1.672
  223   2HD1  LEU  28           HMD      LEU  28   3.367   3.830  -0.963
  224   3HD1  LEU  28           HMD      LEU  28   3.917   2.422  -1.908
  225   1HD2  LEU  28           HMD      LEU  28   3.904   6.185  -3.452
  226   2HD2  LEU  28           HMD      LEU  28   2.176   5.866  -3.159
  227   3HD2  LEU  28           HMD      LEU  28   3.328   5.848  -1.800
  228    H    LYS  29           HN       LYS  29   2.621   1.031  -6.186
  229    HA   LYS  29           HA       LYS  29   0.644   3.016  -7.170
  230   1HB   LYS  29           HBR      LYS  29   1.534   0.521  -8.653
  231   2HB   LYS  29           HBS      LYS  29   0.126   1.538  -9.074
  232   1HG   LYS  29           HGS      LYS  29   2.160   3.390  -8.990
  233   2HG   LYS  29           HGR      LYS  29   3.001   1.943  -9.616
  234   1HD   LYS  29           HDR      LYS  29   0.403   2.396 -10.847
  235   2HD   LYS  29           HDS      LYS  29   1.425   3.798 -11.011
  236   1HE   LYS  29           HER      LYS  29   2.651   2.819 -12.578
  237   2HE   LYS  29           HES      LYS  29   2.889   1.354 -11.582
  238   1HZ   LYS  29           HZB      LYS  29   0.403   1.028 -12.314
  239   2HZ   LYS  29           HZC      LYS  29   0.902   1.898 -13.603
  240   3HZ   LYS  29           HZA      LYS  29   1.652   0.497 -13.223
  241    H    CYS  30           HN       CYS  30  -1.489   1.908  -7.564
  242    HA   CYS  30           HA       CYS  30  -2.431   0.263  -5.522
  243   1HB   CYS  30           HBS      CYS  30  -3.636   1.590  -7.450
  244   2HB   CYS  30           HBR      CYS  30  -3.617  -0.010  -8.246
  245    H    GLU  31           HN       GLU  31  -3.315  -1.948  -5.742
  246    HA   GLU  31           HA       GLU  31  -2.007  -3.613  -7.805
  247   1HB   GLU  31           HBR      GLU  31  -2.068  -4.083  -4.838
  248   2HB   GLU  31           HBS      GLU  31  -2.234  -5.382  -5.886
  249   1HG   GLU  31           HGS      GLU  31   0.145  -3.601  -5.626
  250   2HG   GLU  31           HGR      GLU  31   0.128  -5.379  -5.494
  251    H    LYS  32           HN       LYS  32  -4.590  -2.197  -7.330
  252    HA   LYS  32           HA       LYS  32  -6.339  -4.583  -7.693
  253   1HB   LYS  32           HBS      LYS  32  -6.857  -2.867  -5.745
  254   2HB   LYS  32           HBR      LYS  32  -7.513  -1.893  -7.092
  255   1HG   LYS  32           HGS      LYS  32  -9.206  -3.325  -5.893
  256   2HG   LYS  32           HGR      LYS  32  -9.104  -3.600  -7.656
  257   1HD   LYS  32           HDS      LYS  32  -9.327  -5.685  -6.416
  258   2HD   LYS  32           HDR      LYS  32  -7.837  -5.595  -7.312
  259   1HE   LYS  32           HER      LYS  32  -7.516  -4.578  -4.621
  260   2HE   LYS  32           HES      LYS  32  -8.093  -6.269  -4.652
  261   1HZ   LYS  32           HZB      LYS  32  -6.173  -6.242  -6.508
  262   2HZ   LYS  32           HZC      LYS  32  -5.561  -5.200  -5.410
  263   3HZ   LYS  32           HZA      LYS  32  -5.961  -6.718  -4.961
  264    H    CYS  33           HN       CYS  33  -6.257  -1.074  -8.450
  265    HA   CYS  33           HA       CYS  33  -7.703  -1.679 -10.892
  266   1HB   CYS  33           HBS      CYS  33  -8.034   0.730 -11.057
  267   2HB   CYS  33           HBR      CYS  33  -8.505   0.064  -9.469
  268    H    GLY  34           HN       GLY  34  -4.544  -0.331 -10.015
  269   1HA   GLY  34           HAR      GLY  34  -2.617  -0.432 -11.471
  270   2HA   GLY  34           HAS      GLY  34  -3.714  -0.453 -12.876
  271    H    LYS  35           HN       LYS  35  -3.272   1.592  -9.954
  272    HA   LYS  35           HA       LYS  35  -2.795   3.919 -11.758
  273   1HB   LYS  35           HBR      LYS  35  -4.588   3.697  -9.345
  274   2HB   LYS  35           HBS      LYS  35  -3.817   5.249  -9.780
  275   1HG   LYS  35           HGR      LYS  35  -5.767   3.611 -11.441
  276   2HG   LYS  35           HGS      LYS  35  -6.028   5.228 -10.725
  277   1HD   LYS  35           HDR      LYS  35  -3.749   5.513 -12.268
  278   2HD   LYS  35           HDS      LYS  35  -4.755   4.471 -13.237
  279   1HE   LYS  35           HES      LYS  35  -5.637   6.410 -13.964
  280   2HE   LYS  35           HER      LYS  35  -6.566   6.331 -12.441
  281   1HZ   LYS  35           HZC      LYS  35  -4.614   7.559 -11.473
  282   2HZ   LYS  35           HZA      LYS  35  -4.148   7.877 -13.007
  283   3HZ   LYS  35           HZB      LYS  35  -5.594   8.409 -12.465
  284    H    THR  36           HN       THR  36  -1.263   5.356 -11.110
  285    HA   THR  36           HA       THR  36   0.684   4.556  -9.104
  286    HB   THR  36           HB       THR  36   0.572   7.351 -10.294
  287    HG1  THR  36           HG1      THR  36   1.493   6.661 -11.956
  288   1HG2  THR  36           HMG      THR  36   2.628   5.565  -9.153
  289   2HG2  THR  36           HMG      THR  36   3.123   6.485 -10.597
  290   3HG2  THR  36           HMG      THR  36   2.516   7.343  -9.158
  291    H    LEU  37           HN       LEU  37   1.038   5.444  -7.132
  292    HA   LEU  37           HA       LEU  37  -1.374   6.702  -5.961
  293   1HB   LEU  37           HBS      LEU  37   0.828   4.955  -4.819
  294   2HB   LEU  37           HBR      LEU  37  -0.546   5.619  -3.889
  295    HG   LEU  37           HG       LEU  37  -0.718   3.633  -6.169
  296   1HD1  LEU  37           HMD      LEU  37  -0.958   3.406  -3.161
  297   2HD1  LEU  37           HMD      LEU  37  -1.632   2.193  -4.280
  298   3HD1  LEU  37           HMD      LEU  37   0.121   2.508  -4.258
  299   1HD2  LEU  37           HMD      LEU  37  -2.587   5.315  -5.918
  300   2HD2  LEU  37           HMD      LEU  37  -3.066   3.609  -5.739
  301   3HD2  LEU  37           HMD      LEU  37  -2.878   4.637  -4.297
  302    H    THR  38           HN       THR  38  -0.442   7.513  -3.560
  303    HA   THR  38           HA       THR  38   0.411   9.368  -2.514
  304    HB   THR  38           HB       THR  38   2.346  10.037  -4.745
  305    HG1  THR  38           HG1      THR  38   3.650   8.660  -4.077
  306   1HG2  THR  38           HMG      THR  38   2.305  11.412  -2.710
  307   2HG2  THR  38           HMG      THR  38   2.676   9.967  -1.735
  308   3HG2  THR  38           HMG      THR  38   3.863  10.571  -2.919
  309    H    SER  39           HN       SER  39   0.513  11.764  -2.891
  310    HA   SER  39           HA       SER  39  -0.443  13.696  -3.654
  311   1HB   SER  39           HBR      SER  39  -1.230  12.537  -6.290
  312   2HB   SER  39           HBS      SER  39  -0.604  14.155  -5.865
  313    HG   SER  39           HG       SER  39   1.055  13.363  -6.876
  314    H    GLY  40           HN       GLY  40  -1.827  11.167  -2.604
  315   1HA   GLY  40           HAR      GLY  40  -4.039  12.541  -1.821
  316   2HA   GLY  40           HAS      GLY  40  -4.659  11.576  -3.190
  317    H    GLY  41           HN       GLY  41  -2.234  10.917  -0.638
  318   1HA   GLY  41           HAR      GLY  41  -2.226   9.495   1.174
  319   2HA   GLY  41           HAS      GLY  41  -3.941   9.984   1.236
  320    H    HIS  42           HN       HIS  42  -2.190   7.946  -1.128
  321    HA   HIS  42           HA       HIS  42  -4.052   5.942  -1.302
  322   1HB   HIS  42           HBS      HIS  42  -2.378   4.451  -2.215
  323   2HB   HIS  42           HBR      HIS  42  -2.101   6.106  -2.829
  324    HD1  HIS  42           HD1      HIS  42  -0.383   3.322  -1.090
  325    HD2  HIS  42           HD2      HIS  42   0.007   7.465  -1.266
  326    HE1  HIS  42           HE1      HIS  42   1.802   3.876   0.009
  327    HE2  HIS  42           HE2      HIS  42   2.104   6.367  -0.219
  328    H    ALA  43           HN       ALA  43  -3.007   3.495  -0.825
  329    HA   ALA  43           HA       ALA  43  -2.712   3.335   2.129
  330   1HB   ALA  43           HMB      ALA  43  -5.127   3.132   1.388
  331   2HB   ALA  43           HMB      ALA  43  -4.653   1.617   0.579
  332   3HB   ALA  43           HMB      ALA  43  -4.467   1.779   2.343
  333    H    GLU  44           HN       GLU  44  -2.430   0.904   2.704
  334    HA   GLU  44           HA       GLU  44  -1.545  -0.859   0.636
  335   1HB   GLU  44           HBS      GLU  44   0.668  -1.150   1.238
  336   2HB   GLU  44           HBR      GLU  44   0.475   0.460   0.802
  337   1HG   GLU  44           HGR      GLU  44   1.768   0.763   2.795
  338   2HG   GLU  44           HGS      GLU  44   0.116   0.717   3.470
  339    H    HIS  45           HN       HIS  45  -1.800  -2.911   1.286
  340    HA   HIS  45           HA       HIS  45  -3.193  -3.210   3.767
  341   1HB   HIS  45           HBS      HIS  45  -2.579  -5.267   1.601
  342   2HB   HIS  45           HBR      HIS  45  -3.694  -5.506   2.977
  343    HD1  HIS  45           HD1      HIS  45  -3.379  -2.560   0.498
  344    HD2  HIS  45           HD2      HIS  45  -6.206  -5.102   2.194
  345    HE1  HIS  45           HE1      HIS  45  -5.600  -1.866  -0.433
  346    HE2  HIS  45           HE2      HIS  45  -7.315  -3.407   0.585
  347    H    GLU  46           HN       GLU  46  -0.219  -4.610   2.393
  348    HA   GLU  46           HA       GLU  46   0.899  -5.210   5.032
  349   1HB   GLU  46           HBR      GLU  46   0.861  -7.651   4.539
  350   2HB   GLU  46           HBS      GLU  46  -0.567  -6.915   5.020
  351   1HG   GLU  46           HGS      GLU  46  -1.678  -7.757   3.342
  352   2HG   GLU  46           HGR      GLU  46  -0.763  -6.728   2.207
  353    H    GLY  47           HN       GLY  47   1.809  -3.626   2.937
  354   1HA   GLY  47           HAR      GLY  47   4.036  -3.285   2.156
  355   2HA   GLY  47           HAS      GLY  47   4.329  -5.041   2.259
  356    H    LYS  48           HN       LYS  48   1.300  -3.991   0.946
  357    HA   LYS  48           HA       LYS  48   2.313  -3.836  -1.815
  358   1HB   LYS  48           HBS      LYS  48  -0.172  -5.453  -1.338
  359   2HB   LYS  48           HBR      LYS  48   0.927  -5.427  -2.747
  360   1HG   LYS  48           HGS      LYS  48   2.659  -6.523  -1.179
  361   2HG   LYS  48           HGR      LYS  48   1.278  -6.840  -0.089
  362   1HD   LYS  48           HDR      LYS  48   0.210  -7.829  -2.255
  363   2HD   LYS  48           HDS      LYS  48   1.845  -7.893  -2.855
  364   1HE   LYS  48           HES      LYS  48   1.993  -9.885  -1.859
  365   2HE   LYS  48           HER      LYS  48   2.029  -8.987  -0.314
  366   1HZ   LYS  48           HZB      LYS  48  -0.465  -9.084  -0.488
  367   2HZ   LYS  48           HZC      LYS  48  -0.267 -10.235  -1.630
  368   3HZ   LYS  48           HZA      LYS  48   0.298 -10.479  -0.117
  369    HA   PRO  49           HA       PRO  49  -0.313  -0.451  -0.704
  370   1HB   PRO  49           HBR      PRO  49   0.530   1.182  -2.647
  371   2HB   PRO  49           HBS      PRO  49   1.211   1.076  -1.153
  372   1HG   PRO  49           HGS      PRO  49   2.179   0.082  -3.582
  373   2HG   PRO  49           HGR      PRO  49   3.032   0.450  -2.194
  374   1HD   PRO  49           HDS      PRO  49   2.416  -2.029  -3.004
  375   2HD   PRO  49           HDR      PRO  49   2.907  -1.623  -1.478
  376    H    TYR  50           HN       TYR  50  -2.207   0.501  -1.218
  377    HA   TYR  50           HA       TYR  50  -3.206  -0.086  -3.936
  378   1HB   TYR  50           HBR      TYR  50  -4.839  -0.445  -1.393
  379   2HB   TYR  50           HBS      TYR  50  -5.491  -0.449  -3.056
  380    HD1  TYR  50           HD1      TYR  50  -2.600  -2.149  -1.328
  381    HD2  TYR  50           HD2      TYR  50  -6.159  -2.582  -3.615
  382    HE1  TYR  50           HE1      TYR  50  -2.297  -4.588  -1.328
  383    HE2  TYR  50           HE2      TYR  50  -5.899  -5.023  -3.573
  384    HH   TYR  50           HH       TYR  50  -4.060  -6.561  -3.470
  385    H    CYS  51           HN       CYS  51  -5.289   1.308  -4.237
  386    HA   CYS  51           HA       CYS  51  -4.947   4.011  -3.793
  387   1HB   CYS  51           HBS      CYS  51  -7.470   2.385  -4.114
  388   2HB   CYS  51           HBR      CYS  51  -7.463   4.169  -4.013
  389    H    ASN  52           HN       ASN  52  -6.952   5.221  -2.578
  390    HA   ASN  52           HA       ASN  52  -7.284   4.009   0.104
  391   1HB   ASN  52           HBR      ASN  52  -6.100   6.310  -0.027
  392   2HB   ASN  52           HBS      ASN  52  -7.750   6.934  -0.311
  393   1HD2  ASN  52           HD2      ASN  52  -6.557   6.488   3.404
  394   2HD2  ASN  52           HD2      ASN  52  -5.581   6.810   2.009
  395    H    HIS  53           HN       HIS  53  -8.710   5.585  -2.691
  396    HA   HIS  53           HA       HIS  53 -10.951   3.746  -2.343
  397   1HB   HIS  53           HBS      HIS  53 -11.390   6.739  -2.629
  398   2HB   HIS  53           HBR      HIS  53 -12.566   5.548  -3.253
  399    HD1  HIS  53           HD1      HIS  53 -14.429   5.183  -1.592
  400    HD2  HIS  53           HD2      HIS  53 -10.813   6.086   0.266
  401    HE1  HIS  53           HE1      HIS  53 -14.924   5.391   0.857
  402    HE2  HIS  53           HE2      HIS  53 -12.739   5.941   1.986
  403    HA   PRO  54           HA       PRO  54 -12.925   3.793  -3.439
  404   1HB   PRO  54           HBS      PRO  54 -13.933   2.047  -5.159
  405   2HB   PRO  54           HBR      PRO  54 -14.400   3.622  -5.109
  406   1HG   PRO  54           HGS      PRO  54 -13.005   2.330  -7.088
  407   2HG   PRO  54           HGR      PRO  54 -13.544   3.910  -7.099
  408   1HD   PRO  54           HDR      PRO  54 -10.969   2.948  -6.526
  409   2HD   PRO  54           HDS      PRO  54 -11.419   4.490  -6.924
  410    H    CYS  55           HN       CYS  55 -10.350   2.207  -4.788
  411    HA   CYS  55           HA       CYS  55 -10.993  -0.408  -4.479
  412   1HB   CYS  55           HBS      CYS  55  -8.212   0.747  -4.148
  413   2HB   CYS  55           HBR      CYS  55  -8.631  -0.932  -4.597
  414    H    TYR  56           HN       TYR  56  -9.143   1.505  -2.083
  415    HA   TYR  56           HA       TYR  56  -8.788  -0.652  -0.300
  416   1HB   TYR  56           HBR      TYR  56  -7.573   1.657  -0.492
  417   2HB   TYR  56           HBS      TYR  56  -8.832   2.211   0.648
  418    HD1  TYR  56           HD1      TYR  56  -6.049  -0.255   0.238
  419    HD2  TYR  56           HD2      TYR  56  -8.680   1.699   2.946
  420    HE1  TYR  56           HE1      TYR  56  -4.696  -1.062   2.123
  421    HE2  TYR  56           HE2      TYR  56  -7.333   0.907   4.839
  422    HH   TYR  56           HH       TYR  56  -4.759  -1.498   4.313
  423    H    SER  57           HN       SER  57 -11.224   1.937  -0.417
  424    HA   SER  57           HA       SER  57 -12.514   1.211   2.037
  425   1HB   SER  57           HBS      SER  57 -12.703   3.438   1.013
  426   2HB   SER  57           HBR      SER  57 -13.653   2.732  -0.325
  427    HG   SER  57           HG       SER  57 -14.479   3.747   1.955
  428    H    ALA  58           HN       ALA  58 -12.469  -0.156  -1.100
  429    HA   ALA  58           HA       ALA  58 -15.164  -0.988  -1.391
  430   1HB   ALA  58           HMB      ALA  58 -12.975  -1.010  -2.970
  431   2HB   ALA  58           HMB      ALA  58 -13.043  -2.729  -2.504
  432   3HB   ALA  58           HMB      ALA  58 -14.447  -1.962  -3.288
  433    H    MET  59           HN       MET  59 -12.300  -2.630  -0.031
  434    HA   MET  59           HA       MET  59 -13.994  -4.746   1.122
  435   1HB   MET  59           HBR      MET  59 -11.043  -4.277   1.598
  436   2HB   MET  59           HBS      MET  59 -11.984  -5.766   1.866
  437   1HG   MET  59           HGS      MET  59 -11.754  -4.507  -0.899
  438   2HG   MET  59           HGR      MET  59 -10.492  -5.590  -0.269
  439   1HE   MET  59           HME      MET  59 -13.916  -4.888  -1.251
  440   2HE   MET  59           HME      MET  59 -13.727  -6.053  -2.584
  441   3HE   MET  59           HME      MET  59 -14.857  -6.400  -1.252
  442    H    PHE  60           HN       PHE  60 -12.079  -1.914   2.084
  443    HA   PHE  60           HA       PHE  60 -12.676  -2.432   4.906
  444   1HB   PHE  60           HBR      PHE  60 -10.865  -0.381   3.565
  445   2HB   PHE  60           HBS      PHE  60 -11.149  -0.474   5.327
  446    HD1  PHE  60           HD2      PHE  60  -9.575  -2.251   2.435
  447    HD2  PHE  60           HD1      PHE  60 -10.308  -2.203   6.632
  448    HE1  PHE  60           HE2      PHE  60  -7.784  -3.924   2.761
  449    HE2  PHE  60           HE1      PHE  60  -8.535  -3.860   6.983
  450    HZ   PHE  60           HZ       PHE  60  -7.231  -4.680   5.056
  451    H    GLY  61           HN       GLY  61 -14.703  -1.874   5.382
  452   1HA   GLY  61           HAS      GLY  61 -15.120   0.945   5.883
  453   2HA   GLY  61           HAR      GLY  61 -16.283   0.296   4.693
  454    HA   PRO  62           HA       PRO  62 -18.715  -1.175   8.075
  455   1HB   PRO  62           HBS      PRO  62 -20.046  -2.931   6.439
  456   2HB   PRO  62           HBR      PRO  62 -20.618  -1.507   7.021
  457   1HG   PRO  62           HGS      PRO  62 -19.998  -2.063   4.464
  458   2HG   PRO  62           HGR      PRO  62 -20.361  -0.551   5.069
  459   1HD   PRO  62           HDS      PRO  62 -17.850  -1.596   4.380
  460   2HD   PRO  62           HDR      PRO  62 -18.280  -0.014   4.599
  461    H    LYS  63           HN       LYS  63 -19.767  -3.781   8.101
  462    HA   LYS  63           HA       LYS  63 -17.591  -5.624   7.654
  463   1HB   LYS  63           HBS      LYS  63 -17.913  -6.517  10.109
  464   2HB   LYS  63           HBR      LYS  63 -16.694  -5.271   9.721
  465   1HG   LYS  63           HGR      LYS  63 -18.911  -3.745  10.313
  466   2HG   LYS  63           HGS      LYS  63 -19.094  -5.124  11.433
  467   1HD   LYS  63           HDS      LYS  63 -17.894  -3.510  12.618
  468   2HD   LYS  63           HDR      LYS  63 -16.782  -4.780  12.186
  469   1HE   LYS  63           HES      LYS  63 -16.143  -3.338  10.168
  470   2HE   LYS  63           HER      LYS  63 -16.989  -2.026  11.038
  471   1HZ   LYS  63           HZA      LYS  63 -15.354  -3.217  12.865
  472   2HZ   LYS  63           HZB      LYS  63 -14.439  -3.108  11.516
  473   3HZ   LYS  63           HZC      LYS  63 -15.126  -1.768  12.148
  474    H    GLY  64           HN       GLY  64 -19.153  -6.481   6.271
  475   1HA   GLY  64           HAS      GLY  64 -21.311  -8.066   7.549
  476   2HA   GLY  64           HAR      GLY  64 -21.763  -6.801   6.374
  477    H    PHE  65           HN       PHE  65 -22.514  -8.081   4.763
  478    HA   PHE  65           HA       PHE  65 -22.531  -9.515   2.981
  479   1HB   PHE  65           HBS      PHE  65 -19.511  -9.466   3.337
  480   2HB   PHE  65           HBR      PHE  65 -20.334 -10.514   2.145
  481    HD1  PHE  65           HD1      PHE  65 -22.351  -9.078   1.002
  482    HD2  PHE  65           HD2      PHE  65 -18.545  -7.586   2.204
  483    HE1  PHE  65           HE1      PHE  65 -22.593  -7.235  -0.598
  484    HE2  PHE  65           HE2      PHE  65 -18.764  -5.718   0.597
  485    HZ   PHE  65           HZ       PHE  65 -20.829  -5.518  -0.759
  486    H    GLY  66           HN       GLY  66 -19.764 -10.904   4.742
  487   1HA   GLY  66           HAR      GLY  66 -21.459 -13.247   5.496
  488   2HA   GLY  66           HAS      GLY  66 -19.678 -13.264   5.381
  489    H    ARG  67           HN       ARG  67 -19.291 -13.869   7.471
  490    HA   ARG  67           HA       ARG  67 -18.776 -11.773   9.228
  491   1HB   ARG  67           HBS      ARG  67 -21.324 -11.949   9.540
  492   2HB   ARG  67           HBR      ARG  67 -20.977 -13.479  10.397
  493   1HG   ARG  67           HGS      ARG  67 -21.213 -11.742  12.032
  494   2HG   ARG  67           HGR      ARG  67 -19.486 -12.190  11.944
  495   1HD   ARG  67           HDS      ARG  67 -19.555  -9.849  12.037
  496   2HD   ARG  67           HDR      ARG  67 -19.201 -10.274  10.339
  497    HE   ARG  67           HE       ARG  67 -21.752  -9.941  10.044
  498   1HH1  ARG  67           HH1      ARG  67 -19.581  -8.006  12.036
  499   2HH1  ARG  67           HH1      ARG  67 -20.655  -6.650  12.083
  500   1HH2  ARG  67           HH2      ARG  67 -23.186  -8.196  10.235
  501   2HH2  ARG  67           HH2      ARG  67 -22.696  -6.756  11.063
  502    H    GLY  68           HN       GLY  68 -17.218 -12.383  10.569
  503   1HA   GLY  68           HAR      GLY  68 -16.329 -13.967  12.256
  504   2HA   GLY  68           HAS      GLY  68 -16.912 -15.291  11.210
  505    H    GLY  69           HN       GLY  69 -15.328 -12.259  10.225
  506   1HA   GLY  69           HAR      GLY  69 -13.114 -13.871   9.024
  507   2HA   GLY  69           HAS      GLY  69 -14.012 -12.623   8.122
  508    H    ALA  70           HN       ALA  70 -12.123 -13.088  11.128
  509    HA   ALA  70           HA       ALA  70 -11.742 -10.264  11.501
  510   1HB   ALA  70           HMB      ALA  70 -11.801 -12.300  13.185
  511   2HB   ALA  70           HMB      ALA  70 -10.044 -12.292  12.890
  512   3HB   ALA  70           HMB      ALA  70 -10.848 -10.832  13.520
  513    H    GLU  71           HN       GLU  71 -10.462  -9.080  10.311
  514    HA   GLU  71           HA       GLU  71  -8.547  -8.202   9.409
  515   1HB   GLU  71           HBR      GLU  71  -7.769  -9.574  11.672
  516   2HB   GLU  71           HBS      GLU  71  -6.889 -10.363  10.483
  517   1HG   GLU  71           HGR      GLU  71  -5.669  -8.329  11.578
  518   2HG   GLU  71           HGS      GLU  71  -5.623  -8.583   9.813
  519    H    SER  72           HN       SER  72  -7.685 -11.681   9.551
  520    HA   SER  72           HA       SER  72  -7.801 -11.810   6.624
  521   1HB   SER  72           HBR      SER  72  -5.525 -11.111   6.895
  522   2HB   SER  72           HBS      SER  72  -5.252 -12.336   8.167
  523    HG   SER  72           HG       SER  72  -4.866 -12.470   5.532
  524    H    HIS  73           HN       HIS  73  -6.050 -13.927   8.854
  525    HA   HIS  73           HA       HIS  73  -6.454 -16.028   9.647
  526   1HB   HIS  73           HBS      HIS  73  -9.052 -14.619   9.869
  527   2HB   HIS  73           HBR      HIS  73  -9.168 -16.401   9.843
  528    HD1  HIS  73           HD1      HIS  73  -8.806 -13.730  12.225
  529    HD2  HIS  73           HD2      HIS  73  -7.077 -17.492  11.764
  530    HE1  HIS  73           HE1      HIS  73  -7.742 -14.294  14.423
  531    HE2  HIS  73           HE2      HIS  73  -6.676 -16.559  14.144
  532    H    THR  74           HN       THR  74  -7.897 -18.065   9.297
  533    HA   THR  74           HA       THR  74  -7.261 -18.785   6.582
  534    HB   THR  74           HB       THR  74  -6.849 -20.241   8.640
  535    HG1  THR  74           HG1      THR  74  -8.461 -21.160   6.654
  536   1HG2  THR  74           HMG      THR  74  -9.747 -20.126   8.821
  537   2HG2  THR  74           HMG      THR  74  -9.146 -21.803   8.739
  538   3HG2  THR  74           HMG      THR  74  -8.539 -20.700   9.999
  539    H    PHE  75           HN       PHE  75 -10.128 -17.842   8.267
  540    HA   PHE  75           HA       PHE  75 -12.019 -19.371   6.830
  541   1HB   PHE  75           HBS      PHE  75 -12.320 -17.986   9.050
  542   2HB   PHE  75           HBR      PHE  75 -12.775 -16.665   7.935
  543    HD1  PHE  75           HD2      PHE  75 -13.716 -20.178   8.927
  544    HD2  PHE  75           HD1      PHE  75 -14.776 -16.605   6.862
  545    HE1  PHE  75           HE2      PHE  75 -16.040 -20.999   8.712
  546    HE2  PHE  75           HE1      PHE  75 -17.088 -17.395   6.639
  547    HZ   PHE  75           HZ       PHE  75 -17.737 -19.564   7.616
  548    H    LYS  76           HN       LYS  76 -13.380 -18.911   5.153
  549    HA   LYS  76           HA       LYS  76 -13.902 -18.163   3.047
  550   1HB   LYS  76           HBS      LYS  76 -13.517 -15.778   4.461
  551   2HB   LYS  76           HBR      LYS  76 -12.478 -15.630   3.014
  552   1HG   LYS  76           HGR      LYS  76 -15.111 -16.695   2.339
  553   2HG   LYS  76           HGS      LYS  76 -15.231 -15.122   3.180
  554   1HD   LYS  76           HDS      LYS  76 -13.156 -14.804   1.340
  555   2HD   LYS  76           HDR      LYS  76 -14.349 -15.752   0.495
  556   1HE   LYS  76           HES      LYS  76 -15.806 -14.070   0.328
  557   2HE   LYS  76           HER      LYS  76 -15.485 -13.517   1.995
  558   1HZ   LYS  76           HZC      LYS  76 -13.454 -12.524   1.180
  559   2HZ   LYS  76           HZA      LYS  76 -13.787 -13.000  -0.347
  560   3HZ   LYS  76           HZB      LYS  76 -14.752 -11.914   0.398
   
  No H/Q in entry =         560
  Start of MODEL   44
    1    H    PRO   1           HN       PRO   1  13.374   3.468   6.144
    2    HA   PRO   1           HA       PRO   1  12.074   4.592   4.567
    3   1HB   PRO   1           HBS      PRO   1  13.734   5.068   2.497
    4   2HB   PRO   1           HBR      PRO   1  13.146   6.209   3.520
    5   1HG   PRO   1           HGR      PRO   1  15.721   5.115   3.411
    6   2HG   PRO   1           HGS      PRO   1  15.216   6.539   4.121
    7   1HD   PRO   1           HDS      PRO   1  15.860   4.302   5.451
    8   2HD   PRO   1           HDR      PRO   1  15.016   5.577   6.084
    9    H    LYS   2           HN       LYS   2  13.419   1.877   4.948
   10    HA   LYS   2           HA       LYS   2  13.803   0.722   2.438
   11   1HB   LYS   2           HBS      LYS   2  14.049  -0.114   5.057
   12   2HB   LYS   2           HBR      LYS   2  12.736  -1.151   4.431
   13   1HG   LYS   2           HGR      LYS   2  14.113  -2.164   2.844
   14   2HG   LYS   2           HGS      LYS   2  15.288  -0.819   2.857
   15   1HD   LYS   2           HDS      LYS   2  16.498  -1.715   4.467
   16   2HD   LYS   2           HDR      LYS   2  15.095  -2.011   5.458
   17   1HE   LYS   2           HES      LYS   2  14.834  -3.941   3.519
   18   2HE   LYS   2           HER      LYS   2  16.599  -3.836   3.776
   19   1HZ   LYS   2           HZC      LYS   2  14.811  -3.966   6.069
   20   2HZ   LYS   2           HZA      LYS   2  15.179  -5.338   5.264
   21   3HZ   LYS   2           HZB      LYS   2  16.367  -4.446   5.941
   22    H    CYS   3           HN       CYS   3  12.590  -0.485   1.062
   23    HA   CYS   3           HA       CYS   3   9.981   0.482   0.806
   24   1HB   CYS   3           HBS      CYS   3  11.653  -0.022  -0.982
   25   2HB   CYS   3           HBR      CYS   3  11.260  -1.754  -0.775
   26    HA   PRO   4           HA       PRO   4   7.563  -2.804   2.580
   27   1HB   PRO   4           HBR      PRO   4   5.265  -1.563   1.730
   28   2HB   PRO   4           HBS      PRO   4   5.839  -1.637   3.267
   29   1HG   PRO   4           HGS      PRO   4   5.702   0.568   1.768
   30   2HG   PRO   4           HGR      PRO   4   6.547   0.424   3.199
   31   1HD   PRO   4           HDS      PRO   4   7.536   0.407   0.557
   32   2HD   PRO   4           HDR      PRO   4   8.335   0.791   1.953
   33    H    LYS   5           HN       LYS   5   7.801  -1.830  -0.594
   34    HA   LYS   5           HA       LYS   5   5.795  -3.697  -1.578
   35   1HB   LYS   5           HBR      LYS   5   6.915  -1.276  -2.466
   36   2HB   LYS   5           HBS      LYS   5   7.459  -2.513  -3.634
   37   1HG   LYS   5           HGS      LYS   5   4.576  -2.564  -2.863
   38   2HG   LYS   5           HGR      LYS   5   5.121  -1.189  -3.865
   39   1HD   LYS   5           HDR      LYS   5   4.372  -2.799  -5.358
   40   2HD   LYS   5           HDS      LYS   5   6.111  -2.881  -5.441
   41   1HE   LYS   5           HES      LYS   5   6.035  -5.056  -4.974
   42   2HE   LYS   5           HER      LYS   5   5.223  -4.691  -3.426
   43   1HZ   LYS   5           HZA      LYS   5   3.270  -4.413  -5.232
   44   2HZ   LYS   5           HZB      LYS   5   4.117  -5.658  -5.865
   45   3HZ   LYS   5           HZC      LYS   5   3.535  -5.757  -4.342
   46    H    CYS   6           HN       CYS   6   9.209  -3.108  -2.513
   47    HA   CYS   6           HA       CYS   6   9.133  -5.713  -3.858
   48   1HB   CYS   6           HBS      CYS   6  11.139  -4.940  -5.022
   49   2HB   CYS   6           HBR      CYS   6   9.751  -3.830  -5.188
   50    H    ASP   7           HN       ASP   7  10.476  -4.297  -1.034
   51    HA   ASP   7           HA       ASP   7  11.995  -4.961   0.510
   52   1HB   ASP   7           HBS      ASP   7  11.004  -7.315  -0.146
   53   2HB   ASP   7           HBR      ASP   7  12.649  -7.541  -0.809
   54    H    LYS   8           HN       LYS   8  12.862  -3.132  -0.887
   55    HA   LYS   8           HA       LYS   8  15.710  -3.929  -1.061
   56   1HB   LYS   8           HBS      LYS   8  14.373  -2.864  -3.254
   57   2HB   LYS   8           HBR      LYS   8  15.141  -1.442  -2.491
   58   1HG   LYS   8           HGS      LYS   8  17.328  -2.457  -2.656
   59   2HG   LYS   8           HGR      LYS   8  16.620  -3.997  -3.225
   60   1HD   LYS   8           HDR      LYS   8  17.524  -2.916  -5.093
   61   2HD   LYS   8           HDS      LYS   8  15.792  -2.789  -5.236
   62   1HE   LYS   8           HES      LYS   8  16.168  -0.462  -4.059
   63   2HE   LYS   8           HER      LYS   8  17.837  -0.698  -4.646
   64   1HZ   LYS   8           HZA      LYS   8  16.616  -1.205  -6.835
   65   2HZ   LYS   8           HZB      LYS   8  15.391  -0.351  -6.177
   66   3HZ   LYS   8           HZC      LYS   8  16.852   0.347  -6.385
   67    H    GLU   9           HN       GLU   9  16.848  -1.481  -1.044
   68    HA   GLU   9           HA       GLU   9  15.513   0.044   1.156
   69   1HB   GLU   9           HBS      GLU   9  17.956   1.089   1.014
   70   2HB   GLU   9           HBR      GLU   9  17.438   0.029   2.198
   71   1HG   GLU   9           HGS      GLU   9  18.475  -1.870   0.999
   72   2HG   GLU   9           HGR      GLU   9  18.870  -0.843  -0.405
   73    H    VAL  10           HN       VAL  10  15.350   2.249   0.919
   74    HA   VAL  10           HA       VAL  10  15.021   2.863  -1.946
   75    HB   VAL  10           HB       VAL  10  13.562   3.719   0.555
   76   1HG1  VAL  10           HMG      VAL  10  13.723   5.618  -1.101
   77   2HG1  VAL  10           HMG      VAL  10  12.801   4.602  -2.236
   78   3HG1  VAL  10           HMG      VAL  10  12.076   5.085  -0.683
   79   1HG2  VAL  10           HMG      VAL  10  13.299   1.458  -0.903
   80   2HG2  VAL  10           HMG      VAL  10  11.998   2.214   0.045
   81   3HG2  VAL  10           HMG      VAL  10  12.107   2.519  -1.704
   82    H    TYR  11           HN       TYR  11  16.116   4.353  -2.932
   83    HA   TYR  11           HA       TYR  11  18.125   5.895  -1.427
   84   1HB   TYR  11           HBR      TYR  11  18.037   4.725  -3.987
   85   2HB   TYR  11           HBS      TYR  11  17.972   6.490  -4.263
   86    HD1  TYR  11           HD1      TYR  11  19.864   4.172  -1.959
   87    HD2  TYR  11           HD2      TYR  11  20.031   7.410  -4.710
   88    HE1  TYR  11           HE1      TYR  11  22.314   4.217  -1.749
   89    HE2  TYR  11           HE2      TYR  11  22.478   7.448  -4.531
   90    HH   TYR  11           HH       TYR  11  24.179   6.878  -3.209
   91    H    PHE  12           HN       PHE  12  18.344   8.146  -2.904
   92    HA   PHE  12           HA       PHE  12  16.410   9.683  -1.543
   93   1HB   PHE  12           HBS      PHE  12  18.449  10.626  -3.608
   94   2HB   PHE  12           HBR      PHE  12  17.510  11.674  -2.507
   95    HD1  PHE  12           HD1      PHE  12  17.646  11.087  -0.036
   96    HD2  PHE  12           HD2      PHE  12  20.630   9.954  -2.860
   97    HE1  PHE  12           HE1      PHE  12  19.248  10.807   1.800
   98    HE2  PHE  12           HE2      PHE  12  22.266   9.672  -1.028
   99    HZ   PHE  12           HZ       PHE  12  21.541  10.041   1.314
  100    H    ALA  13           HN       ALA  13  17.189  10.510  -4.890
  101    HA   ALA  13           HA       ALA  13  14.853  11.861  -5.075
  102   1HB   ALA  13           HMB      ALA  13  16.657  10.869  -7.305
  103   2HB   ALA  13           HMB      ALA  13  15.443  12.159  -7.492
  104   3HB   ALA  13           HMB      ALA  13  16.822  12.387  -6.386
  105    H    GLU  14           HN       GLU  14  15.091   8.562  -5.428
  106    HA   GLU  14           HA       GLU  14  12.792   8.334  -7.314
  107   1HB   GLU  14           HBR      GLU  14  14.170   5.990  -6.106
  108   2HB   GLU  14           HBS      GLU  14  13.372   6.170  -7.571
  109   1HG   GLU  14           HGS      GLU  14  16.036   7.441  -7.008
  110   2HG   GLU  14           HGR      GLU  14  15.852   5.949  -7.969
  111    H    ARG  15           HN       ARG  15  12.925   9.272  -4.381
  112    HA   ARG  15           HA       ARG  15  11.698   7.064  -2.916
  113   1HB   ARG  15           HBR      ARG  15  11.902   8.427  -0.969
  114   2HB   ARG  15           HBS      ARG  15  13.425   8.534  -1.896
  115   1HG   ARG  15           HGR      ARG  15  12.646  10.735  -2.798
  116   2HG   ARG  15           HGS      ARG  15  11.238  10.629  -1.703
  117   1HD   ARG  15           HDR      ARG  15  12.980  10.276   0.149
  118   2HD   ARG  15           HDS      ARG  15  14.151  10.909  -1.042
  119    HE   ARG  15           HE       ARG  15  12.357  12.448   0.517
  120   1HH1  ARG  15           HH1      ARG  15  13.856  12.290  -2.671
  121   2HH1  ARG  15           HH1      ARG  15  13.527  13.953  -3.028
  122   1HH2  ARG  15           HH2      ARG  15  11.834  14.584  -0.035
  123   2HH2  ARG  15           HH2      ARG  15  12.387  15.253  -1.535
  124    H    VAL  16           HN       VAL  16   9.702   7.059  -1.953
  125    HA   VAL  16           HA       VAL  16   8.107   9.463  -1.976
  126    HB   VAL  16           HB       VAL  16   6.104   8.573  -2.934
  127   1HG1  VAL  16           HMG      VAL  16   7.699   9.689  -4.449
  128   2HG1  VAL  16           HMG      VAL  16   8.377   8.101  -4.881
  129   3HG1  VAL  16           HMG      VAL  16   6.684   8.485  -5.279
  130   1HG2  VAL  16           HMG      VAL  16   6.485   6.195  -2.311
  131   2HG2  VAL  16           HMG      VAL  16   5.889   6.430  -3.972
  132   3HG2  VAL  16           HMG      VAL  16   7.605   6.059  -3.687
  133    H    THR  17           HN       THR  17   7.271   9.687  -0.054
  134    HA   THR  17           HA       THR  17   7.524   7.379   1.802
  135    HB   THR  17           HB       THR  17   7.310  10.380   2.432
  136    HG1  THR  17           HG1      THR  17   9.176  10.383   2.627
  137   1HG2  THR  17           HMG      THR  17   7.468   7.951   4.176
  138   2HG2  THR  17           HMG      THR  17   8.293   9.448   4.684
  139   3HG2  THR  17           HMG      THR  17   6.535   9.455   4.386
  140    H    SER  18           HN       SER  18   5.845   6.614   2.919
  141    HA   SER  18           HA       SER  18   3.203   7.740   2.989
  142   1HB   SER  18           HBS      SER  18   3.664   7.145   0.500
  143   2HB   SER  18           HBR      SER  18   3.411   5.460   1.042
  144    HG   SER  18           HG       SER  18   1.636   7.186   0.240
  145    H    LEU  19           HN       LEU  19   2.049   6.734   4.469
  146    HA   LEU  19           HA       LEU  19   1.641   5.426   6.294
  147   1HB   LEU  19           HBR      LEU  19   2.830   3.270   4.521
  148   2HB   LEU  19           HBS      LEU  19   1.829   3.019   5.977
  149    HG   LEU  19           HG       LEU  19   0.441   2.597   4.123
  150   1HD1  LEU  19           HMD      LEU  19  -0.047   5.441   5.063
  151   2HD1  LEU  19           HMD      LEU  19  -1.232   4.410   4.222
  152   3HD1  LEU  19           HMD      LEU  19  -0.638   3.949   5.837
  153   1HD2  LEU  19           HMD      LEU  19   2.140   4.032   2.675
  154   2HD2  LEU  19           HMD      LEU  19   0.462   3.749   2.142
  155   3HD2  LEU  19           HMD      LEU  19   0.905   5.295   2.912
  156    H    GLY  20           HN       GLY  20   4.166   6.869   5.984
  157   1HA   GLY  20           HAS      GLY  20   5.904   7.315   7.422
  158   2HA   GLY  20           HAR      GLY  20   5.091   6.191   8.544
  159    H    LYS  21           HN       LYS  21   5.935   4.896   5.467
  160    HA   LYS  21           HA       LYS  21   8.720   4.388   6.126
  161   1HB   LYS  21           HBR      LYS  21   6.773   2.277   6.475
  162   2HB   LYS  21           HBS      LYS  21   7.878   1.891   5.127
  163   1HG   LYS  21           HGR      LYS  21   9.783   2.484   6.757
  164   2HG   LYS  21           HGS      LYS  21   8.543   2.391   8.039
  165   1HD   LYS  21           HDR      LYS  21   8.144   0.151   7.702
  166   2HD   LYS  21           HDS      LYS  21   8.858   0.124   6.113
  167   1HE   LYS  21           HES      LYS  21  10.348   0.497   8.723
  168   2HE   LYS  21           HER      LYS  21  10.229  -1.015   7.778
  169   1HZ   LYS  21           HZB      LYS  21  11.192   1.326   6.394
  170   2HZ   LYS  21           HZC      LYS  21  12.199   0.674   7.503
  171   3HZ   LYS  21           HZA      LYS  21  11.656  -0.235   6.260
  172    H    ASP  22           HN       ASP  22   9.844   4.718   4.348
  173    HA   ASP  22           HA       ASP  22   8.420   5.875   2.219
  174   1HB   ASP  22           HBS      ASP  22  11.351   5.185   2.153
  175   2HB   ASP  22           HBR      ASP  22  10.488   6.477   1.273
  176    H    TRP  23           HN       TRP  23   8.980   5.442  -0.130
  177    HA   TRP  23           HA       TRP  23   9.182   2.534  -0.719
  178   1HB   TRP  23           HBR      TRP  23   7.231   4.523  -1.895
  179   2HB   TRP  23           HBS      TRP  23   7.313   2.761  -2.218
  180    HD1  TRP  23           HD1      TRP  23   6.373   5.274   0.562
  181    HE1  TRP  23           HE1      TRP  23   4.433   4.267   1.918
  182    HE3  TRP  23           HE3      TRP  23   6.249   0.682  -1.618
  183    HZ2  TRP  23           HZ2      TRP  23   2.975   1.870   1.938
  184    HZ3  TRP  23           HZ3      TRP  23   4.623  -0.963  -0.800
  185    HH2  TRP  23           HH2      TRP  23   2.943  -0.352   0.862
  186    H    HIS  24           HN       ZHI  24   9.434   2.165  -3.120
  187    HA   HIS  24           HA       ZHI  24  11.255   4.111  -4.324
  188   1HB   HIS  24           HBS      ZHI  24  10.295   1.422  -5.398
  189   2HB   HIS  24           HBR      ZHI  24  11.563   2.457  -6.115
  190    HD2  HIS  24           HD2      ZHI  24  13.486   3.085  -3.737
  191    HE1  HIS  24           HE1      ZHI  24  13.030  -0.777  -2.200
  192    HE2  HIS  24           HE2      ZHI  24  14.611   1.172  -2.405
  193    H    ARG  25           HN       ARG  25  10.991   5.121  -6.282
  194    HA   ARG  25           HA       ARG  25   8.455   6.306  -6.609
  195   1HB   ARG  25           HBS      ARG  25  10.542   7.423  -7.260
  196   2HB   ARG  25           HBR      ARG  25  10.777   6.226  -8.566
  197   1HG   ARG  25           HGR      ARG  25   9.912   8.403  -9.375
  198   2HG   ARG  25           HGS      ARG  25   8.815   7.037  -9.727
  199   1HD   ARG  25           HDS      ARG  25   7.655   7.673  -7.534
  200   2HD   ARG  25           HDR      ARG  25   8.551   9.213  -7.675
  201    HE   ARG  25           HE       ARG  25   6.213   8.460  -9.134
  202   1HH1  ARG  25           HH1      ARG  25   9.171  10.373  -9.296
  203   2HH1  ARG  25           HH1      ARG  25   8.620  11.311 -10.643
  204   1HH2  ARG  25           HH2      ARG  25   5.579   9.622 -10.975
  205   2HH2  ARG  25           HH2      ARG  25   6.586  10.888 -11.594
  206    HA   PRO  26           HA       PRO  26   8.092   3.414 -10.461
  207   1HB   PRO  26           HBR      PRO  26   9.605   1.189 -10.292
  208   2HB   PRO  26           HBS      PRO  26   9.879   2.451 -11.305
  209   1HG   PRO  26           HGS      PRO  26  11.242   1.782  -8.967
  210   2HG   PRO  26           HGR      PRO  26  11.754   2.746 -10.229
  211   1HD   PRO  26           HDS      PRO  26  10.969   3.657  -7.842
  212   2HD   PRO  26           HDR      PRO  26  11.080   4.575  -9.213
  213    H    CYS  27           HN       CYS  27   8.494   2.240  -7.308
  214    HA   CYS  27           HA       CYS  27   7.086  -0.199  -7.719
  215   1HB   CYS  27           HBS      CYS  27   8.249   1.271  -5.411
  216   2HB   CYS  27           HBR      CYS  27   6.989   0.056  -5.057
  217    H    LEU  28           HN       LEU  28   6.152   2.905  -6.234
  218    HA   LEU  28           HA       LEU  28   3.843   1.801  -5.007
  219   1HB   LEU  28           HBS      LEU  28   5.403   3.787  -4.420
  220   2HB   LEU  28           HBR      LEU  28   4.319   4.738  -5.473
  221    HG   LEU  28           HG       LEU  28   2.549   3.495  -3.784
  222   1HD1  LEU  28           HMD      LEU  28   5.150   3.436  -2.529
  223   2HD1  LEU  28           HMD      LEU  28   4.063   4.538  -1.644
  224   3HD1  LEU  28           HMD      LEU  28   3.583   2.844  -1.920
  225   1HD2  LEU  28           HMD      LEU  28   3.226   5.996  -4.590
  226   2HD2  LEU  28           HMD      LEU  28   2.019   5.646  -3.326
  227   3HD2  LEU  28           HMD      LEU  28   3.688   6.074  -2.871
  228    H    LYS  29           HN       LYS  29   2.487   0.870  -6.471
  229    HA   LYS  29           HA       LYS  29   0.674   2.873  -7.669
  230   1HB   LYS  29           HBR      LYS  29   1.315   0.201  -8.961
  231   2HB   LYS  29           HBS      LYS  29   0.040   1.345  -9.468
  232   1HG   LYS  29           HGR      LYS  29   2.180   2.991  -9.574
  233   2HG   LYS  29           HGS      LYS  29   2.989   1.432  -9.905
  234   1HD   LYS  29           HDR      LYS  29   2.283   1.393 -11.954
  235   2HD   LYS  29           HDS      LYS  29   0.618   1.527 -11.461
  236   1HE   LYS  29           HES      LYS  29   0.518   3.603 -12.264
  237   2HE   LYS  29           HER      LYS  29   1.880   4.084 -11.213
  238   1HZ   LYS  29           HZB      LYS  29   3.285   2.989 -12.985
  239   2HZ   LYS  29           HZC      LYS  29   1.970   3.068 -13.952
  240   3HZ   LYS  29           HZA      LYS  29   2.622   4.436 -13.348
  241    H    CYS  30           HN       CYS  30  -1.538   2.008  -7.835
  242    HA   CYS  30           HA       CYS  30  -2.496   0.616  -5.605
  243   1HB   CYS  30           HBS      CYS  30  -3.681   2.014  -7.511
  244   2HB   CYS  30           HBR      CYS  30  -3.976   0.384  -8.180
  245    H    GLU  31           HN       GLU  31  -4.009  -1.426  -6.088
  246    HA   GLU  31           HA       GLU  31  -2.989  -3.145  -8.217
  247   1HB   GLU  31           HBS      GLU  31  -2.081  -3.556  -5.739
  248   2HB   GLU  31           HBR      GLU  31  -3.484  -4.463  -5.581
  249   1HG   GLU  31           HGR      GLU  31  -1.733  -4.937  -8.041
  250   2HG   GLU  31           HGS      GLU  31  -1.135  -5.441  -6.437
  251    H    LYS  32           HN       LYS  32  -5.309  -1.418  -7.331
  252    HA   LYS  32           HA       LYS  32  -7.480  -3.465  -7.287
  253   1HB   LYS  32           HBR      LYS  32  -6.752  -1.370  -5.368
  254   2HB   LYS  32           HBS      LYS  32  -8.451  -1.275  -5.912
  255   1HG   LYS  32           HGS      LYS  32  -7.093  -3.721  -4.712
  256   2HG   LYS  32           HGR      LYS  32  -8.227  -2.629  -3.867
  257   1HD   LYS  32           HDS      LYS  32  -9.878  -3.936  -4.548
  258   2HD   LYS  32           HDR      LYS  32  -9.567  -3.373  -6.168
  259   1HE   LYS  32           HER      LYS  32  -9.638  -5.900  -5.705
  260   2HE   LYS  32           HES      LYS  32  -8.379  -5.239  -6.786
  261   1HZ   LYS  32           HZC      LYS  32  -7.627  -5.311  -4.041
  262   2HZ   LYS  32           HZA      LYS  32  -7.927  -6.794  -4.657
  263   3HZ   LYS  32           HZB      LYS  32  -6.814  -5.828  -5.360
  264    H    CYS  33           HN       CYS  33  -6.376  -0.266  -8.269
  265    HA   CYS  33           HA       CYS  33  -8.585  -0.307 -10.257
  266   1HB   CYS  33           HBS      CYS  33  -8.343   2.099 -10.574
  267   2HB   CYS  33           HBR      CYS  33  -8.909   1.658  -8.940
  268    H    GLY  34           HN       GLY  34  -5.205   0.710  -9.644
  269   1HA   GLY  34           HAR      GLY  34  -3.403  -0.010 -11.189
  270   2HA   GLY  34           HAS      GLY  34  -4.592   0.121 -12.512
  271    H    LYS  35           HN       LYS  35  -3.407   2.126  -9.777
  272    HA   LYS  35           HA       LYS  35  -2.798   4.310 -11.713
  273   1HB   LYS  35           HBR      LYS  35  -4.401   4.433  -9.147
  274   2HB   LYS  35           HBS      LYS  35  -3.632   5.866  -9.888
  275   1HG   LYS  35           HGS      LYS  35  -5.456   4.130 -11.544
  276   2HG   LYS  35           HGR      LYS  35  -6.154   5.299 -10.387
  277   1HD   LYS  35           HDS      LYS  35  -4.025   6.228 -12.267
  278   2HD   LYS  35           HDR      LYS  35  -5.575   5.822 -12.950
  279   1HE   LYS  35           HES      LYS  35  -6.642   7.579 -12.040
  280   2HE   LYS  35           HER      LYS  35  -5.660   7.523 -10.548
  281   1HZ   LYS  35           HZC      LYS  35  -3.820   8.320 -12.095
  282   2HZ   LYS  35           HZA      LYS  35  -5.022   8.769 -13.107
  283   3HZ   LYS  35           HZB      LYS  35  -4.940   9.402 -11.603
  284    H    THR  36           HN       THR  36  -1.407   5.974 -10.805
  285    HA   THR  36           HA       THR  36   0.562   4.908  -8.868
  286    HB   THR  36           HB       THR  36   0.868   7.637 -10.143
  287    HG1  THR  36           HG1      THR  36   1.111   7.020 -11.843
  288   1HG2  THR  36           HMG      THR  36   2.818   5.385  -9.589
  289   2HG2  THR  36           HMG      THR  36   3.233   6.965 -10.303
  290   3HG2  THR  36           HMG      THR  36   2.612   6.876  -8.635
  291    H    LEU  37           HN       LEU  37   1.178   6.132  -7.048
  292    HA   LEU  37           HA       LEU  37  -1.074   7.754  -5.975
  293   1HB   LEU  37           HBR      LEU  37   0.651   5.765  -4.489
  294   2HB   LEU  37           HBS      LEU  37  -0.929   6.453  -4.012
  295    HG   LEU  37           HG       LEU  37  -0.706   4.718  -6.453
  296   1HD1  LEU  37           HMD      LEU  37   0.319   3.703  -4.241
  297   2HD1  LEU  37           HMD      LEU  37  -1.395   3.537  -3.785
  298   3HD1  LEU  37           HMD      LEU  37  -0.787   2.749  -5.260
  299   1HD2  LEU  37           HMD      LEU  37  -2.707   6.167  -5.206
  300   2HD2  LEU  37           HMD      LEU  37  -2.944   4.834  -6.364
  301   3HD2  LEU  37           HMD      LEU  37  -2.977   4.509  -4.612
  302    H    THR  38           HN       THR  38  -0.361   8.702  -3.742
  303    HA   THR  38           HA       THR  38   1.794  10.550  -4.598
  304    HB   THR  38           HB       THR  38  -0.351  11.450  -2.680
  305    HG1  THR  38           HG1      THR  38  -0.601  11.021  -5.352
  306   1HG2  THR  38           HMG      THR  38   1.385  12.651  -4.722
  307   2HG2  THR  38           HMG      THR  38  -0.288  13.263  -4.726
  308   3HG2  THR  38           HMG      THR  38   0.686  13.342  -3.235
  309    H    SER  39           HN       SER  39   2.026  12.131  -2.419
  310    HA   SER  39           HA       SER  39   3.809  10.848  -0.802
  311   1HB   SER  39           HBR      SER  39   3.328  12.771   0.868
  312   2HB   SER  39           HBS      SER  39   3.955  13.141  -0.764
  313    HG   SER  39           HG       SER  39   1.772  14.031   0.525
  314    H    GLY  40           HN       GLY  40   1.004  12.175   0.893
  315   1HA   GLY  40           HAR      GLY  40   0.390   9.454   1.957
  316   2HA   GLY  40           HAS      GLY  40  -0.031  10.957   2.836
  317    H    GLY  41           HN       GLY  41  -0.163  10.093  -0.613
  318   1HA   GLY  41           HAR      GLY  41  -3.061  10.353  -0.984
  319   2HA   GLY  41           HAS      GLY  41  -1.873   9.565  -2.047
  320    H    HIS  42           HN       HIS  42  -1.798   7.486  -2.091
  321    HA   HIS  42           HA       HIS  42  -3.847   6.012  -1.158
  322   1HB   HIS  42           HBS      HIS  42  -2.640   3.957  -1.790
  323   2HB   HIS  42           HBR      HIS  42  -2.410   5.250  -3.006
  324    HD1  HIS  42           HD1      HIS  42  -0.452   2.689  -1.610
  325    HD2  HIS  42           HD2      HIS  42   0.083   6.816  -1.775
  326    HE1  HIS  42           HE1      HIS  42   1.923   3.123  -0.931
  327    HE2  HIS  42           HE2      HIS  42   2.282   5.609  -1.144
  328    H    ALA  43           HN       ALA  43  -3.254   3.656  -0.089
  329    HA   ALA  43           HA       ALA  43  -1.543   4.066   2.294
  330   1HB   ALA  43           HMB      ALA  43  -4.325   3.572   2.408
  331   2HB   ALA  43           HMB      ALA  43  -3.510   2.046   2.833
  332   3HB   ALA  43           HMB      ALA  43  -3.138   3.536   3.737
  333    H    GLU  44           HN       GLU  44  -1.380   1.561   3.206
  334    HA   GLU  44           HA       GLU  44  -0.612  -0.122   0.855
  335   1HB   GLU  44           HBR      GLU  44   1.449  -0.476   1.858
  336   2HB   GLU  44           HBS      GLU  44   1.139   1.171   1.932
  337   1HG   GLU  44           HGS      GLU  44   1.672   1.196   4.055
  338   2HG   GLU  44           HGR      GLU  44   0.114   0.402   4.411
  339    H    HIS  45           HN       HIS  45  -1.055  -2.233   0.964
  340    HA   HIS  45           HA       HIS  45  -1.681  -3.477   3.592
  341   1HB   HIS  45           HBS      HIS  45  -3.806  -2.886   2.424
  342   2HB   HIS  45           HBR      HIS  45  -3.275  -3.854   1.016
  343    HD1  HIS  45           HD1      HIS  45  -4.094  -4.388   4.742
  344    HD2  HIS  45           HD2      HIS  45  -3.605  -6.532   1.206
  345    HE1  HIS  45           HE1      HIS  45  -4.740  -6.756   5.256
  346    HE2  HIS  45           HE2      HIS  45  -4.492  -8.047   3.106
  347    H    GLU  46           HN       GLU  46  -0.153  -4.918   3.886
  348    HA   GLU  46           HA       GLU  46   0.972  -6.906   3.685
  349   1HB   GLU  46           HBS      GLU  46  -1.572  -7.120   2.711
  350   2HB   GLU  46           HBR      GLU  46  -0.719  -7.780   1.425
  351   1HG   GLU  46           HGS      GLU  46  -0.912  -8.643   4.309
  352   2HG   GLU  46           HGR      GLU  46  -1.250  -9.680   2.896
  353    H    GLY  47           HN       GLY  47   2.042  -4.730   2.282
  354   1HA   GLY  47           HAR      GLY  47   4.025  -4.522   1.136
  355   2HA   GLY  47           HAS      GLY  47   3.988  -6.288   0.884
  356    H    LYS  48           HN       LYS  48   1.654  -3.776  -0.120
  357    HA   LYS  48           HA       LYS  48   2.420  -3.503  -2.840
  358   1HB   LYS  48           HBS      LYS  48   0.428  -4.830  -3.759
  359   2HB   LYS  48           HBR      LYS  48   1.912  -5.729  -3.335
  360   1HG   LYS  48           HGS      LYS  48   0.907  -6.514  -1.272
  361   2HG   LYS  48           HGR      LYS  48  -0.537  -5.499  -1.545
  362   1HD   LYS  48           HDS      LYS  48  -1.225  -6.839  -3.372
  363   2HD   LYS  48           HDR      LYS  48   0.341  -7.591  -3.510
  364   1HE   LYS  48           HES      LYS  48  -0.132  -8.482  -1.108
  365   2HE   LYS  48           HER      LYS  48  -1.826  -8.118  -1.539
  366   1HZ   LYS  48           HZC      LYS  48  -1.078  -9.415  -3.674
  367   2HZ   LYS  48           HZA      LYS  48  -0.050 -10.121  -2.619
  368   3HZ   LYS  48           HZB      LYS  48  -1.661 -10.184  -2.356
  369    HA   PRO  49           HA       PRO  49  -0.282  -0.475  -1.111
  370   1HB   PRO  49           HBR      PRO  49   0.322   1.480  -2.825
  371   2HB   PRO  49           HBS      PRO  49   1.159   1.171  -1.446
  372   1HG   PRO  49           HGS      PRO  49   1.873   0.578  -4.091
  373   2HG   PRO  49           HGR      PRO  49   2.872   0.832  -2.776
  374   1HD   PRO  49           HDS      PRO  49   2.334  -1.563  -3.805
  375   2HD   PRO  49           HDR      PRO  49   2.897  -1.313  -2.269
  376    H    TYR  50           HN       TYR  50  -2.264   0.366  -1.288
  377    HA   TYR  50           HA       TYR  50  -3.326   0.584  -4.012
  378   1HB   TYR  50           HBR      TYR  50  -5.280  -0.286  -1.908
  379   2HB   TYR  50           HBS      TYR  50  -5.347  -0.459  -3.685
  380    HD1  TYR  50           HD1      TYR  50  -3.014  -1.957  -4.424
  381    HD2  TYR  50           HD2      TYR  50  -5.358  -2.350  -0.897
  382    HE1  TYR  50           HE1      TYR  50  -2.047  -4.185  -4.036
  383    HE2  TYR  50           HE2      TYR  50  -4.490  -4.622  -0.564
  384    HH   TYR  50           HH       TYR  50  -2.487  -5.851  -1.055
  385    H    CYS  51           HN       CYS  51  -5.003   2.197  -4.139
  386    HA   CYS  51           HA       CYS  51  -4.826   4.452  -2.689
  387   1HB   CYS  51           HBS      CYS  51  -7.482   3.435  -3.724
  388   2HB   CYS  51           HBR      CYS  51  -6.999   5.129  -3.432
  389    H    ASN  52           HN       ASN  52  -5.532   5.384  -0.882
  390    HA   ASN  52           HA       ASN  52  -6.407   3.898   1.301
  391   1HB   ASN  52           HBR      ASN  52  -5.712   6.585   0.789
  392   2HB   ASN  52           HBS      ASN  52  -7.281   6.587   1.644
  393   1HD2  ASN  52           HD2      ASN  52  -3.973   6.213   3.763
  394   2HD2  ASN  52           HD2      ASN  52  -4.141   6.967   2.212
  395    H    HIS  53           HN       HIS  53  -8.287   5.608  -1.140
  396    HA   HIS  53           HA       HIS  53 -10.342   3.626  -0.867
  397   1HB   HIS  53           HBS      HIS  53 -10.990   6.443   0.064
  398   2HB   HIS  53           HBR      HIS  53 -12.222   5.414  -0.722
  399    HD1  HIS  53           HD1      HIS  53 -13.142   3.391   0.673
  400    HD2  HIS  53           HD2      HIS  53 -10.274   5.691   2.631
  401    HE1  HIS  53           HE1      HIS  53 -13.316   2.816   3.106
  402    HE2  HIS  53           HE2      HIS  53 -11.591   4.215   4.298
  403    HA   PRO  54           HA       PRO  54 -12.458   3.731  -1.418
  404   1HB   PRO  54           HBR      PRO  54 -13.783   2.433  -3.355
  405   2HB   PRO  54           HBS      PRO  54 -14.313   3.793  -2.601
  406   1HG   PRO  54           HGR      PRO  54 -13.439   3.546  -5.208
  407   2HG   PRO  54           HGS      PRO  54 -14.153   4.861  -4.471
  408   1HD   PRO  54           HDS      PRO  54 -11.480   4.510  -5.069
  409   2HD   PRO  54           HDR      PRO  54 -12.203   5.848  -4.421
  410    H    CYS  55           HN       CYS  55 -10.013   2.893  -3.351
  411    HA   CYS  55           HA       CYS  55 -10.465   0.238  -3.925
  412   1HB   CYS  55           HBS      CYS  55  -7.837   1.682  -3.522
  413   2HB   CYS  55           HBR      CYS  55  -8.002   0.049  -4.229
  414    H    TYR  56           HN       TYR  56  -8.626   1.548  -1.152
  415    HA   TYR  56           HA       TYR  56  -7.724  -0.944  -0.190
  416   1HB   TYR  56           HBR      TYR  56  -6.691   1.152   0.475
  417   2HB   TYR  56           HBS      TYR  56  -8.190   1.668   1.298
  418    HD1  TYR  56           HD2      TYR  56  -5.246  -0.521   1.477
  419    HD2  TYR  56           HD1      TYR  56  -8.797   0.692   3.476
  420    HE1  TYR  56           HE2      TYR  56  -4.401  -1.508   3.558
  421    HE2  TYR  56           HE1      TYR  56  -7.974  -0.311   5.562
  422    HH   TYR  56           HH       TYR  56  -5.035  -0.750   6.284
  423    H    SER  57           HN       SER  57 -10.651   0.931   0.523
  424    HA   SER  57           HA       SER  57 -11.681  -1.383   2.081
  425   1HB   SER  57           HBS      SER  57 -11.632   1.192   2.858
  426   2HB   SER  57           HBR      SER  57 -13.216   1.153   2.033
  427    HG   SER  57           HG       SER  57 -13.607   0.686   4.121
  428    H    ALA  58           HN       ALA  58 -11.431  -1.199  -0.850
  429    HA   ALA  58           HA       ALA  58 -14.231  -1.196  -1.763
  430   1HB   ALA  58           HMB      ALA  58 -11.838  -0.713  -3.017
  431   2HB   ALA  58           HMB      ALA  58 -12.189  -2.394  -3.496
  432   3HB   ALA  58           HMB      ALA  58 -13.379  -1.108  -3.822
  433    H    MET  59           HN       MET  59 -11.561  -3.586  -1.919
  434    HA   MET  59           HA       MET  59 -13.541  -5.690  -2.245
  435   1HB   MET  59           HBS      MET  59 -11.514  -5.524  -3.658
  436   2HB   MET  59           HBR      MET  59 -10.513  -5.881  -2.221
  437   1HG   MET  59           HGS      MET  59 -11.871  -8.024  -1.949
  438   2HG   MET  59           HGR      MET  59 -12.588  -7.670  -3.540
  439   1HE   MET  59           HME      MET  59 -10.668  -9.691  -1.930
  440   2HE   MET  59           HME      MET  59  -9.561 -10.394  -3.136
  441   3HE   MET  59           HME      MET  59  -8.958  -9.193  -1.967
  442    H    PHE  60           HN       PHE  60 -11.187  -4.657   0.176
  443    HA   PHE  60           HA       PHE  60 -11.096  -7.093   1.602
  444   1HB   PHE  60           HBR      PHE  60 -10.386  -4.258   2.438
  445   2HB   PHE  60           HBS      PHE  60 -10.223  -5.661   3.534
  446    HD1  PHE  60           HD1      PHE  60  -9.241  -7.756   2.085
  447    HD2  PHE  60           HD2      PHE  60  -8.221  -3.645   1.609
  448    HE1  PHE  60           HE1      PHE  60  -7.118  -8.423   1.054
  449    HE2  PHE  60           HE2      PHE  60  -6.066  -4.293   0.580
  450    HZ   PHE  60           HZ       PHE  60  -5.552  -6.695   0.250
  451    H    GLY  61           HN       GLY  61 -13.195  -7.817   1.895
  452   1HA   GLY  61           HAR      GLY  61 -14.735  -6.500   4.066
  453   2HA   GLY  61           HAS      GLY  61 -15.549  -6.821   2.510
  454    HA   PRO  62           HA       PRO  62 -16.167 -10.309   5.412
  455   1HB   PRO  62           HBS      PRO  62 -18.689 -10.596   4.235
  456   2HB   PRO  62           HBR      PRO  62 -18.338 -10.339   5.819
  457   1HG   PRO  62           HGS      PRO  62 -19.420  -8.557   4.183
  458   2HG   PRO  62           HGR      PRO  62 -18.676  -8.173   5.626
  459   1HD   PRO  62           HDS      PRO  62 -17.729  -7.778   3.014
  460   2HD   PRO  62           HDR      PRO  62 -17.208  -7.070   4.415
  461    H    LYS  63           HN       LYS  63 -17.433 -10.508   2.174
  462    HA   LYS  63           HA       LYS  63 -17.275 -13.326   2.076
  463   1HB   LYS  63           HBR      LYS  63 -17.684 -11.141   0.075
  464   2HB   LYS  63           HBS      LYS  63 -17.245 -12.765  -0.525
  465   1HG   LYS  63           HGR      LYS  63 -19.210 -13.501   1.124
  466   2HG   LYS  63           HGS      LYS  63 -19.751 -11.823   0.825
  467   1HD   LYS  63           HDS      LYS  63 -18.975 -13.194  -1.622
  468   2HD   LYS  63           HDR      LYS  63 -20.205 -14.065  -0.747
  469   1HE   LYS  63           HES      LYS  63 -21.431 -12.681  -2.134
  470   2HE   LYS  63           HER      LYS  63 -21.442 -11.843  -0.557
  471   1HZ   LYS  63           HZC      LYS  63 -19.569 -10.530  -1.401
  472   2HZ   LYS  63           HZA      LYS  63 -19.745 -11.218  -2.872
  473   3HZ   LYS  63           HZB      LYS  63 -20.942 -10.297  -2.251
  474    H    GLY  64           HN       GLY  64 -15.751 -14.721   1.514
  475   1HA   GLY  64           HAS      GLY  64 -13.028 -13.806   0.848
  476   2HA   GLY  64           HAR      GLY  64 -13.560 -15.486   1.125
  477    H    PHE  65           HN       PHE  65 -12.544 -16.189  -0.767
  478    HA   PHE  65           HA       PHE  65 -13.835 -15.379  -3.318
  479   1HB   PHE  65           HBR      PHE  65 -12.159 -16.759  -4.466
  480   2HB   PHE  65           HBS      PHE  65 -11.384 -15.491  -3.471
  481    HD1  PHE  65           HD1      PHE  65 -10.264 -16.001  -1.461
  482    HD2  PHE  65           HD2      PHE  65 -11.880 -19.162  -3.816
  483    HE1  PHE  65           HE1      PHE  65  -8.838 -17.597  -0.259
  484    HE2  PHE  65           HE2      PHE  65 -10.455 -20.792  -2.619
  485    HZ   PHE  65           HZ       PHE  65  -8.888 -19.984  -0.877
  486    H    GLY  66           HN       GLY  66 -12.966 -18.249  -1.366
  487   1HA   GLY  66           HAS      GLY  66 -15.641 -19.339  -1.892
  488   2HA   GLY  66           HAR      GLY  66 -14.279 -20.371  -2.402
  489    H    ARG  67           HN       ARG  67 -12.803 -21.142  -0.836
  490    HA   ARG  67           HA       ARG  67 -12.063 -21.886   1.194
  491   1HB   ARG  67           HBR      ARG  67 -12.610 -19.166   1.481
  492   2HB   ARG  67           HBS      ARG  67 -13.406 -19.931   2.884
  493   1HG   ARG  67           HGS      ARG  67 -10.951 -21.173   2.858
  494   2HG   ARG  67           HGR      ARG  67 -10.550 -19.521   2.307
  495   1HD   ARG  67           HDS      ARG  67 -12.037 -20.303   4.814
  496   2HD   ARG  67           HDR      ARG  67 -10.375 -19.659   4.699
  497    HE   ARG  67           HE       ARG  67 -12.127 -17.814   3.473
  498   1HH1  ARG  67           HH1      ARG  67 -11.755 -19.223   6.683
  499   2HH1  ARG  67           HH1      ARG  67 -12.153 -17.746   7.497
  500   1HH2  ARG  67           HH2      ARG  67 -12.516 -15.869   4.571
  501   2HH2  ARG  67           HH2      ARG  67 -12.586 -15.848   6.302
  502    H    GLY  68           HN       GLY  68 -12.742 -22.630   3.387
  503   1HA   GLY  68           HAS      GLY  68 -14.158 -23.657   4.881
  504   2HA   GLY  68           HAR      GLY  68 -15.468 -22.671   4.179
  505    H    GLY  69           HN       GLY  69 -14.894 -25.669   4.953
  506   1HA   GLY  69           HAS      GLY  69 -16.661 -26.667   2.798
  507   2HA   GLY  69           HAR      GLY  69 -15.228 -27.642   3.221
  508    H    ALA  70           HN       ALA  70 -16.735 -25.713   5.691
  509    HA   ALA  70           HA       ALA  70 -18.067 -26.165   7.494
  510   1HB   ALA  70           HMB      ALA  70 -19.149 -28.314   5.649
  511   2HB   ALA  70           HMB      ALA  70 -19.906 -27.747   7.160
  512   3HB   ALA  70           HMB      ALA  70 -19.726 -26.633   5.782
  513    H    GLU  71           HN       GLU  71 -17.949 -29.520   6.344
  514    HA   GLU  71           HA       GLU  71 -16.082 -30.450   8.388
  515   1HB   GLU  71           HBR      GLU  71 -18.698 -29.758   9.107
  516   2HB   GLU  71           HBS      GLU  71 -18.791 -31.405   8.799
  517   1HG   GLU  71           HGR      GLU  71 -17.151 -32.052  10.464
  518   2HG   GLU  71           HGS      GLU  71 -16.652 -30.346  10.606
  519    H    SER  72           HN       SER  72 -16.644 -32.943   8.693
  520    HA   SER  72           HA       SER  72 -17.320 -34.079   6.024
  521   1HB   SER  72           HBS      SER  72 -15.050 -34.621   6.706
  522   2HB   SER  72           HBR      SER  72 -15.654 -35.309   8.241
  523    HG   SER  72           HG       SER  72 -15.295 -37.002   6.935
  524    H    HIS  73           HN       HIS  73 -17.219 -35.540   9.262
  525    HA   HIS  73           HA       HIS  73 -19.824 -35.197  10.034
  526   1HB   HIS  73           HBS      HIS  73 -20.850 -37.483   9.605
  527   2HB   HIS  73           HBR      HIS  73 -20.795 -36.367   8.208
  528    HD1  HIS  73           HD1      HIS  73 -19.791 -39.781   9.235
  529    HD2  HIS  73           HD2      HIS  73 -18.658 -36.990   6.357
  530    HE1  HIS  73           HE1      HIS  73 -18.594 -41.061   7.443
  531    HE2  HIS  73           HE2      HIS  73 -17.927 -39.381   5.687
  532    H    THR  74           HN       THR  74 -17.636 -38.011   9.655
  533    HA   THR  74           HA       THR  74 -16.829 -37.738  12.424
  534    HB   THR  74           HB       THR  74 -17.272 -40.468  12.509
  535    HG1  THR  74           HG1      THR  74 -19.389 -39.126  11.459
  536   1HG2  THR  74           HMG      THR  74 -18.766 -38.152  13.664
  537   2HG2  THR  74           HMG      THR  74 -19.434 -39.793  13.861
  538   3HG2  THR  74           HMG      THR  74 -17.799 -39.419  14.463
  539    H    PHE  75           HN       PHE  75 -16.824 -40.604  10.313
  540    HA   PHE  75           HA       PHE  75 -13.914 -40.170   9.843
  541   1HB   PHE  75           HBS      PHE  75 -15.208 -42.338  11.253
  542   2HB   PHE  75           HBR      PHE  75 -14.452 -42.961   9.758
  543    HD1  PHE  75           HD2      PHE  75 -13.583 -40.677  12.669
  544    HD2  PHE  75           HD1      PHE  75 -12.336 -43.590   9.819
  545    HE1  PHE  75           HE2      PHE  75 -11.313 -40.659  13.651
  546    HE2  PHE  75           HE1      PHE  75 -10.076 -43.587  10.773
  547    HZ   PHE  75           HZ       PHE  75  -9.544 -42.078  12.649
  548    H    LYS  76           HN       LYS  76 -13.034 -41.306   8.011
  549    HA   LYS  76           HA       LYS  76 -14.985 -41.207   5.762
  550   1HB   LYS  76           HBS      LYS  76 -12.884 -39.564   6.168
  551   2HB   LYS  76           HBR      LYS  76 -12.072 -40.875   5.267
  552   1HG   LYS  76           HGR      LYS  76 -13.059 -40.311   3.314
  553   2HG   LYS  76           HGS      LYS  76 -14.637 -39.991   4.091
  554   1HD   LYS  76           HDS      LYS  76 -13.980 -37.813   4.758
  555   2HD   LYS  76           HDR      LYS  76 -12.315 -38.114   4.345
  556   1HE   LYS  76           HES      LYS  76 -12.590 -37.496   2.238
  557   2HE   LYS  76           HER      LYS  76 -14.028 -38.541   2.063
  558   1HZ   LYS  76           HZC      LYS  76 -14.816 -36.462   3.623
  559   2HZ   LYS  76           HZA      LYS  76 -13.896 -35.758   2.473
  560   3HZ   LYS  76           HZB      LYS  76 -15.174 -36.682   2.045
   
  No H/Q in entry =         560
  Start of MODEL   45
    1    H    PRO   1           HN       PRO   1  14.758  -0.077   7.021
    2    HA   PRO   1           HA       PRO   1  12.853   1.081   6.431
    3   1HB   PRO   1           HBR      PRO   1  13.488   2.692   4.391
    4   2HB   PRO   1           HBS      PRO   1  13.303   3.187   5.946
    5   1HG   PRO   1           HGR      PRO   1  15.676   2.903   4.501
    6   2HG   PRO   1           HGS      PRO   1  15.385   3.781   5.890
    7   1HD   PRO   1           HDS      PRO   1  16.677   1.409   5.756
    8   2HD   PRO   1           HDR      PRO   1  16.173   2.162   7.138
    9    H    LYS   2           HN       LYS   2  14.358   1.306   3.362
   10    HA   LYS   2           HA       LYS   2  14.362  -0.038   1.511
   11   1HB   LYS   2           HBR      LYS   2  15.059  -1.647   3.548
   12   2HB   LYS   2           HBS      LYS   2  13.544  -2.453   3.049
   13   1HG   LYS   2           HGR      LYS   2  14.410  -3.153   1.048
   14   2HG   LYS   2           HGS      LYS   2  15.492  -1.741   0.896
   15   1HD   LYS   2           HDS      LYS   2  17.095  -2.641   2.328
   16   2HD   LYS   2           HDR      LYS   2  15.983  -3.803   2.995
   17   1HE   LYS   2           HER      LYS   2  15.905  -5.001   0.866
   18   2HE   LYS   2           HES      LYS   2  17.106  -3.858   0.197
   19   1HZ   LYS   2           HZA      LYS   2  18.341  -4.629   2.368
   20   2HZ   LYS   2           HZB      LYS   2  17.463  -5.983   2.115
   21   3HZ   LYS   2           HZC      LYS   2  18.477  -5.438   0.955
   22    H    CYS   3           HN       CYS   3  13.031  -0.961  -0.027
   23    HA   CYS   3           HA       CYS   3  10.449  -0.014   0.098
   24   1HB   CYS   3           HBS      CYS   3  11.943  -0.380  -1.893
   25   2HB   CYS   3           HBR      CYS   3  11.433  -2.092  -1.858
   26    HA   PRO   4           HA       PRO   4   8.083  -3.434   1.681
   27   1HB   PRO   4           HBR      PRO   4   5.788  -1.955   1.337
   28   2HB   PRO   4           HBS      PRO   4   6.521  -2.335   2.755
   29   1HG   PRO   4           HGS      PRO   4   6.372   0.111   1.718
   30   2HG   PRO   4           HGR      PRO   4   7.406  -0.346   2.947
   31   1HD   PRO   4           HDS      PRO   4   7.983   0.049   0.205
   32   2HD   PRO   4           HDR      PRO   4   9.002   0.184   1.502
   33    H    LYS   5           HN       LYS   5   8.122  -2.067  -1.317
   34    HA   LYS   5           HA       LYS   5   6.111  -3.878  -2.405
   35   1HB   LYS   5           HBR      LYS   5   6.947  -1.332  -3.033
   36   2HB   LYS   5           HBS      LYS   5   7.741  -2.319  -4.292
   37   1HG   LYS   5           HGS      LYS   5   4.948  -3.088  -3.902
   38   2HG   LYS   5           HGR      LYS   5   5.116  -1.359  -4.321
   39   1HD   LYS   5           HDR      LYS   5   5.980  -1.811  -6.372
   40   2HD   LYS   5           HDS      LYS   5   6.710  -3.318  -5.893
   41   1HE   LYS   5           HES      LYS   5   3.724  -2.939  -6.149
   42   2HE   LYS   5           HER      LYS   5   4.777  -3.438  -7.502
   43   1HZ   LYS   5           HZA      LYS   5   5.516  -5.216  -5.844
   44   2HZ   LYS   5           HZB      LYS   5   4.117  -4.895  -5.066
   45   3HZ   LYS   5           HZC      LYS   5   4.091  -5.408  -6.616
   46    H    CYS   6           HN       CYS   6   9.440  -3.056  -3.460
   47    HA   CYS   6           HA       CYS   6   9.330  -5.516  -5.062
   48   1HB   CYS   6           HBS      CYS   6  11.116  -4.527  -6.383
   49   2HB   CYS   6           HBR      CYS   6   9.682  -3.474  -6.252
   50    H    ASP   7           HN       ASP   7  10.859  -4.343  -2.244
   51    HA   ASP   7           HA       ASP   7  12.529  -5.101  -0.914
   52   1HB   ASP   7           HBS      ASP   7  11.599  -7.400  -1.735
   53   2HB   ASP   7           HBR      ASP   7  13.146  -7.461  -2.627
   54    H    LYS   8           HN       LYS   8  13.163  -3.064  -2.190
   55    HA   LYS   8           HA       LYS   8  16.035  -3.595  -2.384
   56   1HB   LYS   8           HBS      LYS   8  14.550  -2.571  -4.638
   57   2HB   LYS   8           HBR      LYS   8  15.643  -1.310  -4.002
   58   1HG   LYS   8           HGR      LYS   8  17.568  -2.633  -4.374
   59   2HG   LYS   8           HGS      LYS   8  16.606  -4.124  -4.585
   60   1HD   LYS   8           HDS      LYS   8  15.577  -2.945  -6.615
   61   2HD   LYS   8           HDR      LYS   8  16.880  -1.799  -6.459
   62   1HE   LYS   8           HES      LYS   8  18.310  -4.080  -6.374
   63   2HE   LYS   8           HER      LYS   8  16.929  -4.584  -7.390
   64   1HZ   LYS   8           HZB      LYS   8  17.514  -2.271  -8.472
   65   2HZ   LYS   8           HZC      LYS   8  19.008  -2.668  -7.943
   66   3HZ   LYS   8           HZA      LYS   8  18.208  -3.668  -8.957
   67    H    GLU   9           HN       GLU   9  17.210  -1.417  -2.117
   68    HA   GLU   9           HA       GLU   9  15.959  -0.124   0.252
   69   1HB   GLU   9           HBR      GLU   9  18.670   0.622  -0.636
   70   2HB   GLU   9           HBS      GLU   9  18.002   0.453   0.891
   71   1HG   GLU   9           HGS      GLU   9  19.044  -1.431   1.212
   72   2HG   GLU   9           HGR      GLU   9  17.964  -2.225   0.034
   73    H    VAL  10           HN       VAL  10  15.939   2.162   0.408
   74    HA   VAL  10           HA       VAL  10  15.415   3.351  -2.271
   75    HB   VAL  10           HB       VAL  10  13.756   3.477   0.255
   76   1HG1  VAL  10           HMG      VAL  10  13.869   5.384  -1.802
   77   2HG1  VAL  10           HMG      VAL  10  12.396   4.433  -2.106
   78   3HG1  VAL  10           HMG      VAL  10  12.636   5.223  -0.529
   79   1HG2  VAL  10           HMG      VAL  10  13.863   1.500  -1.697
   80   2HG2  VAL  10           HMG      VAL  10  12.584   1.753  -0.488
   81   3HG2  VAL  10           HMG      VAL  10  12.422   2.469  -2.107
   82    H    TYR  11           HN       TYR  11  16.437   5.136  -2.702
   83    HA   TYR  11           HA       TYR  11  17.313   7.085  -0.676
   84   1HB   TYR  11           HBS      TYR  11  18.765   5.191  -0.280
   85   2HB   TYR  11           HBR      TYR  11  19.055   5.001  -2.030
   86    HD1  TYR  11           HD2      TYR  11  19.061   8.215  -0.177
   87    HD2  TYR  11           HD1      TYR  11  21.480   5.177  -1.908
   88    HE1  TYR  11           HE2      TYR  11  21.023   9.673   0.029
   89    HE2  TYR  11           HE1      TYR  11  23.459   6.617  -1.686
   90    HH   TYR  11           HH       TYR  11  23.753   9.006   0.279
   91    H    PHE  12           HN       PHE  12  17.624   8.994  -1.605
   92    HA   PHE  12           HA       PHE  12  17.960  10.616  -3.226
   93   1HB   PHE  12           HBR      PHE  12  17.811   8.684  -5.535
   94   2HB   PHE  12           HBS      PHE  12  18.594  10.286  -5.428
   95    HD1  PHE  12           HD2      PHE  12  20.605  10.217  -3.450
   96    HD2  PHE  12           HD1      PHE  12  19.176   6.993  -5.843
   97    HE1  PHE  12           HE2      PHE  12  22.779   9.069  -3.192
   98    HE2  PHE  12           HE1      PHE  12  21.314   5.822  -5.579
   99    HZ   PHE  12           HZ       PHE  12  23.139   6.883  -4.304
  100    H    ALA  13           HN       ALA  13  16.473  11.189  -5.218
  101    HA   ALA  13           HA       ALA  13  14.175  11.451  -3.813
  102   1HB   ALA  13           HMB      ALA  13  15.399  12.509  -6.118
  103   2HB   ALA  13           HMB      ALA  13  13.729  12.117  -6.596
  104   3HB   ALA  13           HMB      ALA  13  14.029  13.200  -5.213
  105    H    GLU  14           HN       GLU  14  14.860   8.810  -5.711
  106    HA   GLU  14           HA       GLU  14  12.353   7.953  -6.648
  107   1HB   GLU  14           HBS      GLU  14  14.614   6.507  -5.337
  108   2HB   GLU  14           HBR      GLU  14  13.349   5.667  -6.053
  109   1HG   GLU  14           HGR      GLU  14  15.603   7.276  -7.321
  110   2HG   GLU  14           HGS      GLU  14  14.944   5.677  -7.759
  111    H    ARG  15           HN       ARG  15  13.437   8.538  -3.432
  112    HA   ARG  15           HA       ARG  15  11.776   6.508  -2.185
  113   1HB   ARG  15           HBR      ARG  15  12.700   7.269  -0.109
  114   2HB   ARG  15           HBS      ARG  15  14.009   7.124  -1.315
  115   1HG   ARG  15           HGS      ARG  15  13.884   9.599  -1.652
  116   2HG   ARG  15           HGR      ARG  15  12.707   9.676  -0.310
  117   1HD   ARG  15           HDR      ARG  15  15.508   8.567  -0.126
  118   2HD   ARG  15           HDS      ARG  15  15.005  10.204   0.377
  119    HE   ARG  15           HE       ARG  15  14.498   7.693   1.776
  120   1HH1  ARG  15           HH1      ARG  15  13.271  10.960   1.277
  121   2HH1  ARG  15           HH1      ARG  15  12.659  11.094   2.891
  122   1HH2  ARG  15           HH2      ARG  15  13.795   7.952   3.916
  123   2HH2  ARG  15           HH2      ARG  15  12.950   9.390   4.383
  124    H    VAL  16           HN       VAL  16   9.792   6.713  -1.476
  125    HA   VAL  16           HA       VAL  16   8.913   9.366  -0.536
  126    HB   VAL  16           HB       VAL  16   6.700   9.122  -1.379
  127   1HG1  VAL  16           HMG      VAL  16   8.989   9.184  -3.197
  128   2HG1  VAL  16           HMG      VAL  16   7.471   8.695  -3.988
  129   3HG1  VAL  16           HMG      VAL  16   7.558  10.237  -3.105
  130   1HG2  VAL  16           HMG      VAL  16   7.583   6.439  -2.447
  131   2HG2  VAL  16           HMG      VAL  16   6.280   6.795  -1.289
  132   3HG2  VAL  16           HMG      VAL  16   6.114   7.281  -2.993
  133    H    THR  17           HN       THR  17   6.911   9.053   0.902
  134    HA   THR  17           HA       THR  17   7.565   6.788   2.723
  135    HB   THR  17           HB       THR  17   6.816   9.590   3.685
  136    HG1  THR  17           HG1      THR  17   8.794   9.979   3.846
  137   1HG2  THR  17           HMG      THR  17   7.241   7.212   5.048
  138   2HG2  THR  17           HMG      THR  17   8.780   8.092   5.228
  139   3HG2  THR  17           HMG      THR  17   7.252   8.853   5.741
  140    H    SER  18           HN       SER  18   5.960   5.868   3.888
  141    HA   SER  18           HA       SER  18   3.301   6.714   4.087
  142   1HB   SER  18           HBS      SER  18   3.366   6.502   1.593
  143   2HB   SER  18           HBR      SER  18   3.605   4.745   1.808
  144    HG   SER  18           HG       SER  18   1.595   4.505   1.977
  145    H    LEU  19           HN       LEU  19   2.394   5.559   5.613
  146    HA   LEU  19           HA       LEU  19   2.249   4.081   7.349
  147   1HB   LEU  19           HBR      LEU  19   3.216   2.137   5.228
  148   2HB   LEU  19           HBS      LEU  19   2.440   1.715   6.781
  149    HG   LEU  19           HG       LEU  19   0.815   1.441   5.083
  150   1HD1  LEU  19           HMD      LEU  19   0.556   3.449   7.108
  151   2HD1  LEU  19           HMD      LEU  19  -0.348   3.974   5.665
  152   3HD1  LEU  19           HMD      LEU  19  -0.698   2.393   6.410
  153   1HD2  LEU  19           HMD      LEU  19   2.208   3.014   3.542
  154   2HD2  LEU  19           HMD      LEU  19   0.441   2.919   3.325
  155   3HD2  LEU  19           HMD      LEU  19   1.158   4.299   4.194
  156    H    GLY  20           HN       GLY  20   4.823   5.505   6.590
  157   1HA   GLY  20           HAS      GLY  20   6.357   6.025   8.279
  158   2HA   GLY  20           HAR      GLY  20   6.114   4.407   8.990
  159    H    LYS  21           HN       LYS  21   6.444   3.416   6.043
  160    HA   LYS  21           HA       LYS  21   9.420   3.302   6.168
  161   1HB   LYS  21           HBR      LYS  21   7.449   1.055   5.744
  162   2HB   LYS  21           HBS      LYS  21   9.090   1.001   5.038
  163   1HG   LYS  21           HGS      LYS  21   9.142  -0.207   7.112
  164   2HG   LYS  21           HGR      LYS  21  10.010   1.336   7.359
  165   1HD   LYS  21           HDS      LYS  21   7.635   2.136   8.181
  166   2HD   LYS  21           HDR      LYS  21   7.326   0.429   8.342
  167   1HE   LYS  21           HER      LYS  21   8.125   1.618  10.402
  168   2HE   LYS  21           HES      LYS  21   8.993   0.120   9.958
  169   1HZ   LYS  21           HZB      LYS  21   9.903   2.844   9.322
  170   2HZ   LYS  21           HZC      LYS  21  10.468   1.935  10.557
  171   3HZ   LYS  21           HZA      LYS  21  10.711   1.457   9.013
  172    H    ASP  22           HN       ASP  22  10.418   3.704   4.303
  173    HA   ASP  22           HA       ASP  22   8.852   5.238   2.514
  174   1HB   ASP  22           HBS      ASP  22  11.744   4.522   2.096
  175   2HB   ASP  22           HBR      ASP  22  10.852   5.960   1.527
  176    H    TRP  23           HN       TRP  23   9.189   5.147   0.098
  177    HA   TRP  23           HA       TRP  23   9.329   2.369  -0.952
  178   1HB   TRP  23           HBR      TRP  23   7.224   4.436  -1.611
  179   2HB   TRP  23           HBS      TRP  23   7.275   2.715  -2.112
  180    HD1  TRP  23           HD1      TRP  23   6.646   4.935   0.986
  181    HE1  TRP  23           HE1      TRP  23   4.933   3.737   2.486
  182    HE3  TRP  23           HE3      TRP  23   6.410   0.523  -1.531
  183    HZ2  TRP  23           HZ2      TRP  23   3.607   1.267   2.515
  184    HZ3  TRP  23           HZ3      TRP  23   4.994  -1.267  -0.629
  185    HH2  TRP  23           HH2      TRP  23   3.512  -0.864   1.267
  186    H    HIS  24           HN       ZHI  24   9.639   2.210  -3.235
  187    HA   HIS  24           HA       ZHI  24  10.957   4.449  -4.551
  188   1HB   HIS  24           HBS      ZHI  24  10.009   1.837  -5.803
  189   2HB   HIS  24           HBR      ZHI  24  11.143   3.030  -6.502
  190    HD2  HIS  24           HD2      ZHI  24  13.287   3.427  -4.247
  191    HE1  HIS  24           HE1      ZHI  24  13.193  -0.649  -3.312
  192    HE2  HIS  24           HE2      ZHI  24  14.646   1.409  -3.359
  193    H    ARG  25           HN       ARG  25  10.189   5.746  -6.115
  194    HA   ARG  25           HA       ARG  25   7.456   6.503  -5.845
  195   1HB   ARG  25           HBR      ARG  25   9.306   8.061  -6.463
  196   2HB   ARG  25           HBS      ARG  25   9.386   7.268  -8.061
  197   1HG   ARG  25           HGR      ARG  25   8.119   9.188  -8.450
  198   2HG   ARG  25           HGS      ARG  25   6.895   7.899  -8.276
  199   1HD   ARG  25           HDR      ARG  25   7.755   9.430  -5.866
  200   2HD   ARG  25           HDS      ARG  25   6.653  10.199  -7.043
  201    HE   ARG  25           HE       ARG  25   5.980   7.538  -5.923
  202   1HH1  ARG  25           HH1      ARG  25   5.386  11.012  -5.969
  203   2HH1  ARG  25           HH1      ARG  25   3.749  10.850  -5.425
  204   1HH2  ARG  25           HH2      ARG  25   3.797   7.356  -5.341
  205   2HH2  ARG  25           HH2      ARG  25   2.845   8.781  -5.084
  206    HA   PRO  26           HA       PRO  26   7.068   4.387 -10.198
  207   1HB   PRO  26           HBR      PRO  26   8.952   2.497 -10.593
  208   2HB   PRO  26           HBS      PRO  26   8.861   3.934 -11.384
  209   1HG   PRO  26           HGR      PRO  26  10.641   3.188  -9.363
  210   2HG   PRO  26           HGS      PRO  26  10.771   4.420 -10.481
  211   1HD   PRO  26           HDS      PRO  26  10.187   4.756  -7.889
  212   2HD   PRO  26           HDR      PRO  26   9.949   5.888  -9.071
  213    H    CYS  27           HN       CYS  27   7.942   2.939  -7.299
  214    HA   CYS  27           HA       CYS  27   6.491   0.501  -7.823
  215   1HB   CYS  27           HBS      CYS  27   8.054   1.663  -5.572
  216   2HB   CYS  27           HBR      CYS  27   6.844   0.408  -5.182
  217    H    LEU  28           HN       LEU  28   5.929   3.398  -5.818
  218    HA   LEU  28           HA       LEU  28   3.738   2.344  -4.408
  219   1HB   LEU  28           HBR      LEU  28   5.311   4.327  -3.959
  220   2HB   LEU  28           HBS      LEU  28   4.185   5.276  -4.969
  221    HG   LEU  28           HG       LEU  28   2.446   4.192  -3.209
  222   1HD1  LEU  28           HMD      LEU  28   4.817   3.421  -2.092
  223   2HD1  LEU  28           HMD      LEU  28   4.550   4.993  -1.298
  224   3HD1  LEU  28           HMD      LEU  28   3.313   3.715  -1.184
  225   1HD2  LEU  28           HMD      LEU  28   3.916   6.701  -3.588
  226   2HD2  LEU  28           HMD      LEU  28   2.180   6.417  -3.302
  227   3HD2  LEU  28           HMD      LEU  28   3.311   6.484  -1.927
  228    H    LYS  29           HN       LYS  29   2.269   1.372  -5.741
  229    HA   LYS  29           HA       LYS  29   0.563   3.181  -7.335
  230   1HB   LYS  29           HBS      LYS  29   1.304   0.468  -8.429
  231   2HB   LYS  29           HBR      LYS  29   0.474   1.830  -9.237
  232   1HG   LYS  29           HGR      LYS  29   2.452   2.992  -9.613
  233   2HG   LYS  29           HGS      LYS  29   3.313   2.163  -8.283
  234   1HD   LYS  29           HDS      LYS  29   2.510   0.903 -10.908
  235   2HD   LYS  29           HDR      LYS  29   4.083   1.551 -10.534
  236   1HE   LYS  29           HER      LYS  29   4.598  -0.090  -9.011
  237   2HE   LYS  29           HES      LYS  29   2.889  -0.548  -8.763
  238   1HZ   LYS  29           HZC      LYS  29   3.086  -1.131 -11.260
  239   2HZ   LYS  29           HZA      LYS  29   4.683  -1.249 -10.935
  240   3HZ   LYS  29           HZB      LYS  29   3.613  -2.181 -10.128
  241    H    CYS  30           HN       CYS  30  -1.528   2.200  -7.802
  242    HA   CYS  30           HA       CYS  30  -2.644   0.594  -5.683
  243   1HB   CYS  30           HBS      CYS  30  -3.776   2.266  -7.363
  244   2HB   CYS  30           HBR      CYS  30  -3.935   0.798  -8.370
  245    H    GLU  31           HN       GLU  31  -3.551  -1.509  -5.919
  246    HA   GLU  31           HA       GLU  31  -2.573  -3.096  -8.234
  247   1HB   GLU  31           HBR      GLU  31  -1.521  -3.451  -5.800
  248   2HB   GLU  31           HBS      GLU  31  -2.975  -4.245  -5.529
  249   1HG   GLU  31           HGR      GLU  31  -0.985  -5.760  -6.347
  250   2HG   GLU  31           HGS      GLU  31  -2.648  -5.980  -6.957
  251    H    LYS  32           HN       LYS  32  -5.022  -1.538  -7.449
  252    HA   LYS  32           HA       LYS  32  -6.922  -3.762  -8.016
  253   1HB   LYS  32           HBS      LYS  32  -7.386  -2.163  -5.979
  254   2HB   LYS  32           HBR      LYS  32  -7.877  -1.018  -7.260
  255   1HG   LYS  32           HGR      LYS  32  -9.637  -2.423  -7.991
  256   2HG   LYS  32           HGS      LYS  32  -9.002  -3.828  -7.088
  257   1HD   LYS  32           HDS      LYS  32 -10.127  -3.310  -5.275
  258   2HD   LYS  32           HDR      LYS  32  -9.474  -1.694  -5.269
  259   1HE   LYS  32           HER      LYS  32 -12.018  -2.022  -5.397
  260   2HE   LYS  32           HES      LYS  32 -11.242  -0.779  -6.417
  261   1HZ   LYS  32           HZB      LYS  32 -11.452  -3.384  -7.595
  262   2HZ   LYS  32           HZC      LYS  32 -12.882  -2.640  -7.333
  263   3HZ   LYS  32           HZA      LYS  32 -11.738  -1.915  -8.246
  264    H    CYS  33           HN       CYS  33  -6.626  -0.225  -8.538
  265    HA   CYS  33           HA       CYS  33  -7.967  -0.611 -11.070
  266   1HB   CYS  33           HBS      CYS  33  -8.202   1.810 -11.098
  267   2HB   CYS  33           HBR      CYS  33  -8.729   1.079  -9.556
  268    H    GLY  34           HN       GLY  34  -4.720  -0.202 -10.075
  269   1HA   GLY  34           HAR      GLY  34  -2.856  -0.652 -11.355
  270   2HA   GLY  34           HAS      GLY  34  -3.906  -0.708 -12.795
  271    H    LYS  35           HN       LYS  35  -3.251   1.881 -10.407
  272    HA   LYS  35           HA       LYS  35  -1.885   3.470 -12.523
  273   1HB   LYS  35           HBS      LYS  35  -3.904   4.666 -10.623
  274   2HB   LYS  35           HBR      LYS  35  -3.170   5.381 -12.086
  275   1HG   LYS  35           HGR      LYS  35  -5.084   3.016 -12.099
  276   2HG   LYS  35           HGS      LYS  35  -5.573   4.715 -12.361
  277   1HD   LYS  35           HDR      LYS  35  -3.439   3.452 -14.032
  278   2HD   LYS  35           HDS      LYS  35  -5.116   3.127 -14.383
  279   1HE   LYS  35           HER      LYS  35  -3.567   5.674 -14.560
  280   2HE   LYS  35           HES      LYS  35  -4.657   4.925 -15.760
  281   1HZ   LYS  35           HZA      LYS  35  -6.485   5.491 -14.274
  282   2HZ   LYS  35           HZB      LYS  35  -5.457   6.264 -13.269
  283   3HZ   LYS  35           HZC      LYS  35  -5.686   6.819 -14.788
  284    H    THR  36           HN       THR  36  -0.494   5.074 -11.760
  285    HA   THR  36           HA       THR  36   0.971   4.392  -9.366
  286    HB   THR  36           HB       THR  36   1.271   7.106 -10.664
  287    HG1  THR  36           HG1      THR  36   2.033   4.682 -11.630
  288   1HG2  THR  36           HMG      THR  36   2.786   5.759  -8.860
  289   2HG2  THR  36           HMG      THR  36   3.603   5.322 -10.382
  290   3HG2  THR  36           HMG      THR  36   3.390   7.036  -9.944
  291    H    LEU  37           HN       LEU  37   1.437   6.092  -7.714
  292    HA   LEU  37           HA       LEU  37  -1.010   7.652  -7.030
  293   1HB   LEU  37           HBS      LEU  37   0.741   6.165  -5.070
  294   2HB   LEU  37           HBR      LEU  37  -0.906   6.818  -4.839
  295    HG   LEU  37           HG       LEU  37  -0.412   4.595  -6.796
  296   1HD1  LEU  37           HMD      LEU  37  -0.078   4.489  -3.897
  297   2HD1  LEU  37           HMD      LEU  37  -1.371   3.408  -4.475
  298   3HD1  LEU  37           HMD      LEU  37   0.278   3.261  -5.136
  299   1HD2  LEU  37           HMD      LEU  37  -2.568   6.116  -6.212
  300   2HD2  LEU  37           HMD      LEU  37  -2.674   4.424  -6.759
  301   3HD2  LEU  37           HMD      LEU  37  -2.785   4.808  -5.022
  302    H    THR  38           HN       THR  38  -0.420   9.070  -5.004
  303    HA   THR  38           HA       THR  38   1.723  10.802  -6.094
  304    HB   THR  38           HB       THR  38  -0.477  11.882  -4.315
  305    HG1  THR  38           HG1      THR  38  -1.830  11.528  -5.464
  306   1HG2  THR  38           HMG      THR  38   1.164  12.883  -6.612
  307   2HG2  THR  38           HMG      THR  38  -0.428  13.613  -6.287
  308   3HG2  THR  38           HMG      THR  38   0.833  13.630  -5.028
  309    H    SER  39           HN       SER  39   2.131  12.624  -4.248
  310    HA   SER  39           HA       SER  39   4.056  11.385  -2.690
  311   1HB   SER  39           HBR      SER  39   4.260  13.696  -3.299
  312   2HB   SER  39           HBS      SER  39   2.802  14.119  -2.357
  313    HG   SER  39           HG       SER  39   3.765  13.482  -0.437
  314    H    GLY  40           HN       GLY  40   0.706  11.693  -2.066
  315   1HA   GLY  40           HAR      GLY  40   0.676   9.670  -0.214
  316   2HA   GLY  40           HAS      GLY  40   0.787  11.138   0.795
  317    H    GLY  41           HN       GLY  41  -0.992   9.943  -2.085
  318   1HA   GLY  41           HAR      GLY  41  -3.521  10.664  -0.671
  319   2HA   GLY  41           HAS      GLY  41  -3.362  10.856  -2.437
  320    H    HIS  42           HN       HIS  42  -1.500   8.229  -1.615
  321    HA   HIS  42           HA       HIS  42  -3.612   6.307  -2.135
  322   1HB   HIS  42           HBS      HIS  42  -1.843   4.631  -2.228
  323   2HB   HIS  42           HBR      HIS  42  -1.408   6.055  -3.216
  324    HD1  HIS  42           HD1      HIS  42   0.153   3.791  -0.919
  325    HD2  HIS  42           HD2      HIS  42   0.275   7.910  -1.522
  326    HE1  HIS  42           HE1      HIS  42   2.228   4.612   0.223
  327    HE2  HIS  42           HE2      HIS  42   2.338   7.095  -0.193
  328    H    ALA  43           HN       ALA  43  -2.854   4.074  -0.823
  329    HA   ALA  43           HA       ALA  43  -2.225   4.579   1.948
  330   1HB   ALA  43           HMB      ALA  43  -4.931   4.581   1.376
  331   2HB   ALA  43           HMB      ALA  43  -4.617   2.910   1.904
  332   3HB   ALA  43           HMB      ALA  43  -4.179   4.276   2.962
  333    H    GLU  44           HN       GLU  44  -2.783   2.181   3.057
  334    HA   GLU  44           HA       GLU  44  -1.896   0.002   1.252
  335   1HB   GLU  44           HBS      GLU  44  -0.054   1.490   2.025
  336   2HB   GLU  44           HBR      GLU  44  -0.341   1.061   3.622
  337   1HG   GLU  44           HGS      GLU  44  -0.101  -1.419   2.613
  338   2HG   GLU  44           HGR      GLU  44   0.816  -0.590   1.326
  339    H    HIS  45           HN       HIS  45  -2.272  -2.014   2.072
  340    HA   HIS  45           HA       HIS  45  -3.772  -2.231   4.583
  341   1HB   HIS  45           HBS      HIS  45  -4.048  -4.611   4.016
  342   2HB   HIS  45           HBR      HIS  45  -4.597  -3.543   2.693
  343    HD1  HIS  45           HD1      HIS  45  -1.206  -5.206   3.544
  344    HD2  HIS  45           HD2      HIS  45  -3.833  -4.614   0.367
  345    HE1  HIS  45           HE1      HIS  45  -0.233  -6.431   1.585
  346    HE2  HIS  45           HE2      HIS  45  -1.820  -6.078  -0.340
  347    H    GLU  46           HN       GLU  46  -0.776  -1.613   4.291
  348    HA   GLU  46           HA       GLU  46   1.239  -2.157   5.235
  349   1HB   GLU  46           HBS      GLU  46  -0.244  -4.068   6.961
  350   2HB   GLU  46           HBR      GLU  46   1.209  -3.313   7.330
  351   1HG   GLU  46           HGR      GLU  46  -1.145  -1.468   6.827
  352   2HG   GLU  46           HGS      GLU  46  -1.272  -2.579   8.217
  353    H    GLY  47           HN       GLY  47   1.623  -3.163   3.159
  354   1HA   GLY  47           HAR      GLY  47   2.853  -5.569   3.144
  355   2HA   GLY  47           HAS      GLY  47   1.171  -6.039   2.781
  356    H    LYS  48           HN       LYS  48   0.332  -3.848   1.286
  357    HA   LYS  48           HA       LYS  48   2.295  -2.980  -0.636
  358   1HB   LYS  48           HBS      LYS  48   0.675  -5.317  -1.299
  359   2HB   LYS  48           HBR      LYS  48   0.352  -3.942  -2.392
  360   1HG   LYS  48           HGS      LYS  48   2.215  -4.400  -3.530
  361   2HG   LYS  48           HGR      LYS  48   3.189  -4.164  -2.052
  362   1HD   LYS  48           HDR      LYS  48   1.757  -6.726  -2.255
  363   2HD   LYS  48           HDS      LYS  48   2.927  -6.481  -3.523
  364   1HE   LYS  48           HES      LYS  48   4.368  -5.725  -1.333
  365   2HE   LYS  48           HER      LYS  48   3.275  -6.958  -0.644
  366   1HZ   LYS  48           HZA      LYS  48   4.342  -7.817  -3.093
  367   2HZ   LYS  48           HZB      LYS  48   5.554  -7.397  -2.083
  368   3HZ   LYS  48           HZC      LYS  48   4.456  -8.513  -1.620
  369    HA   PRO  49           HA       PRO  49  -0.467   0.348  -0.435
  370   1HB   PRO  49           HBR      PRO  49   0.456   1.740  -2.507
  371   2HB   PRO  49           HBS      PRO  49   1.111   1.792  -1.002
  372   1HG   PRO  49           HGS      PRO  49   2.113   0.542  -3.289
  373   2HG   PRO  49           HGR      PRO  49   2.943   1.033  -1.928
  374   1HD   PRO  49           HDS      PRO  49   2.259  -1.507  -2.513
  375   2HD   PRO  49           HDR      PRO  49   2.810  -0.971  -1.049
  376    H    TYR  50           HN       TYR  50  -2.353   1.169  -1.127
  377    HA   TYR  50           HA       TYR  50  -3.025   0.630  -3.927
  378   1HB   TYR  50           HBR      TYR  50  -5.028   0.124  -1.693
  379   2HB   TYR  50           HBS      TYR  50  -5.358   0.084  -3.448
  380    HD1  TYR  50           HD2      TYR  50  -2.857  -1.450  -1.109
  381    HD2  TYR  50           HD1      TYR  50  -5.647  -2.087  -4.253
  382    HE1  TYR  50           HE2      TYR  50  -2.365  -3.853  -1.047
  383    HE2  TYR  50           HE1      TYR  50  -5.185  -4.499  -4.184
  384    HH   TYR  50           HH       TYR  50  -3.352  -5.840  -1.421
  385    H    CYS  51           HN       CYS  51  -5.287   1.943  -4.232
  386    HA   CYS  51           HA       CYS  51  -5.068   4.624  -3.643
  387   1HB   CYS  51           HBS      CYS  51  -7.525   2.914  -4.028
  388   2HB   CYS  51           HBR      CYS  51  -7.601   4.685  -3.808
  389    H    ASN  52           HN       ASN  52  -7.113   5.686  -2.348
  390    HA   ASN  52           HA       ASN  52  -7.064   4.573   0.399
  391   1HB   ASN  52           HBS      ASN  52  -6.718   7.218  -0.437
  392   2HB   ASN  52           HBR      ASN  52  -8.360   7.133   0.265
  393   1HD2  ASN  52           HD2      ASN  52  -5.925   7.952   2.964
  394   2HD2  ASN  52           HD2      ASN  52  -6.366   8.666   1.449
  395    H    HIS  53           HN       HIS  53  -9.046   5.539  -2.336
  396    HA   HIS  53           HA       HIS  53 -10.873   3.390  -1.782
  397   1HB   HIS  53           HBS      HIS  53 -11.820   6.226  -1.260
  398   2HB   HIS  53           HBR      HIS  53 -12.929   4.976  -1.894
  399    HD1  HIS  53           HD1      HIS  53 -13.531   2.980  -0.246
  400    HD2  HIS  53           HD2      HIS  53 -11.211   6.022   1.401
  401    HE1  HIS  53           HE1      HIS  53 -13.728   2.752   2.241
  402    HE2  HIS  53           HE2      HIS  53 -12.343   4.602   3.244
  403    HA   PRO  54           HA       PRO  54 -12.991   3.210  -2.330
  404   1HB   PRO  54           HBS      PRO  54 -14.152   1.519  -4.063
  405   2HB   PRO  54           HBR      PRO  54 -14.838   2.896  -3.492
  406   1HG   PRO  54           HGR      PRO  54 -13.924   2.380  -6.045
  407   2HG   PRO  54           HGS      PRO  54 -14.757   3.717  -5.501
  408   1HD   PRO  54           HDS      PRO  54 -12.060   3.525  -6.059
  409   2HD   PRO  54           HDR      PRO  54 -12.905   4.874  -5.613
  410    H    CYS  55           HN       CYS  55 -10.451   2.335  -4.108
  411    HA   CYS  55           HA       CYS  55 -10.642  -0.403  -4.308
  412   1HB   CYS  55           HBS      CYS  55  -8.093   1.204  -4.004
  413   2HB   CYS  55           HBR      CYS  55  -8.245  -0.437  -4.693
  414    H    TYR  56           HN       TYR  56  -9.296   1.499  -1.635
  415    HA   TYR  56           HA       TYR  56  -8.016  -0.652  -0.331
  416   1HB   TYR  56           HBR      TYR  56  -7.450   1.700   0.066
  417   2HB   TYR  56           HBS      TYR  56  -9.043   1.967   0.828
  418    HD1  TYR  56           HD1      TYR  56  -6.497  -0.777   1.254
  419    HD2  TYR  56           HD2      TYR  56  -8.700   2.367   3.082
  420    HE1  TYR  56           HE1      TYR  56  -5.626  -1.452   3.451
  421    HE2  TYR  56           HE2      TYR  56  -7.862   1.687   5.284
  422    HH   TYR  56           HH       TYR  56  -7.251  -0.418   6.310
  423    H    SER  57           HN       SER  57 -11.274   0.705  -0.018
  424    HA   SER  57           HA       SER  57 -11.975  -1.462   1.883
  425   1HB   SER  57           HBS      SER  57 -13.868  -0.258   2.486
  426   2HB   SER  57           HBR      SER  57 -12.584   0.978   2.341
  427    HG   SER  57           HG       SER  57 -13.321   1.139   0.022
  428    H    ALA  58           HN       ALA  58 -11.452  -1.558  -1.132
  429    HA   ALA  58           HA       ALA  58 -13.848  -2.379  -2.428
  430   1HB   ALA  58           HMB      ALA  58 -11.617  -1.949  -3.492
  431   2HB   ALA  58           HMB      ALA  58 -11.072  -3.515  -2.837
  432   3HB   ALA  58           HMB      ALA  58 -12.424  -3.456  -3.998
  433    H    MET  59           HN       MET  59 -11.408  -4.192  -0.543
  434    HA   MET  59           HA       MET  59 -13.329  -6.464  -0.394
  435   1HB   MET  59           HBS      MET  59 -11.151  -6.489  -1.951
  436   2HB   MET  59           HBR      MET  59 -10.403  -7.011  -0.414
  437   1HG   MET  59           HGR      MET  59 -12.134  -8.783  -0.208
  438   2HG   MET  59           HGS      MET  59 -12.802  -8.307  -1.789
  439   1HE   MET  59           HME      MET  59  -9.310  -8.940  -0.072
  440   2HE   MET  59           HME      MET  59 -10.228 -10.463   0.024
  441   3HE   MET  59           HME      MET  59  -8.755 -10.372  -0.975
  442    H    PHE  60           HN       PHE  60 -11.070  -4.386   1.215
  443    HA   PHE  60           HA       PHE  60 -10.400  -6.170   3.341
  444   1HB   PHE  60           HBR      PHE  60  -9.953  -3.216   2.877
  445   2HB   PHE  60           HBS      PHE  60  -9.655  -3.931   4.489
  446    HD1  PHE  60           HD1      PHE  60  -8.376  -6.197   4.394
  447    HD2  PHE  60           HD2      PHE  60  -8.029  -3.131   1.456
  448    HE1  PHE  60           HE1      PHE  60  -6.220  -7.138   3.696
  449    HE2  PHE  60           HE2      PHE  60  -5.858  -4.066   0.726
  450    HZ   PHE  60           HZ       PHE  60  -4.989  -6.112   1.823
  451    H    GLY  61           HN       GLY  61 -11.898  -6.918   4.650
  452   1HA   GLY  61           HAR      GLY  61 -13.277  -5.600   6.642
  453   2HA   GLY  61           HAS      GLY  61 -14.353  -5.477   5.223
  454    HA   PRO  62           HA       PRO  62 -14.686  -9.463   7.686
  455   1HB   PRO  62           HBR      PRO  62 -17.328  -9.189   8.198
  456   2HB   PRO  62           HBS      PRO  62 -16.112  -8.959   9.278
  457   1HG   PRO  62           HGS      PRO  62 -17.661  -7.039   7.981
  458   2HG   PRO  62           HGR      PRO  62 -16.747  -6.872   9.368
  459   1HD   PRO  62           HDS      PRO  62 -16.068  -5.892   6.978
  460   2HD   PRO  62           HDR      PRO  62 -15.018  -6.118   8.236
  461    H    LYS  63           HN       LYS  63 -14.807 -11.336   6.779
  462    HA   LYS  63           HA       LYS  63 -17.122 -12.278   5.577
  463   1HB   LYS  63           HBS      LYS  63 -16.165 -10.562   3.768
  464   2HB   LYS  63           HBR      LYS  63 -15.167 -11.982   3.339
  465   1HG   LYS  63           HGR      LYS  63 -18.191 -12.116   3.579
  466   2HG   LYS  63           HGS      LYS  63 -17.361 -11.678   2.057
  467   1HD   LYS  63           HDS      LYS  63 -16.502 -13.758   1.729
  468   2HD   LYS  63           HDR      LYS  63 -16.456 -14.131   3.430
  469   1HE   LYS  63           HES      LYS  63 -18.811 -14.529   3.523
  470   2HE   LYS  63           HER      LYS  63 -19.003 -13.937   1.848
  471   1HZ   LYS  63           HZC      LYS  63 -17.640 -15.778   1.132
  472   2HZ   LYS  63           HZA      LYS  63 -17.497 -16.328   2.663
  473   3HZ   LYS  63           HZB      LYS  63 -18.957 -16.319   1.930
  474    H    GLY  64           HN       GLY  64 -13.783 -12.560   4.331
  475   1HA   GLY  64           HAS      GLY  64 -12.668 -14.357   6.012
  476   2HA   GLY  64           HAR      GLY  64 -13.647 -15.423   4.970
  477    H    PHE  65           HN       PHE  65 -11.325 -16.172   4.609
  478    HA   PHE  65           HA       PHE  65 -10.714 -15.292   1.918
  479   1HB   PHE  65           HBR      PHE  65  -8.147 -15.405   2.485
  480   2HB   PHE  65           HBS      PHE  65  -9.049 -13.871   2.665
  481    HD1  PHE  65           HD2      PHE  65  -7.538 -16.711   4.598
  482    HD2  PHE  65           HD1      PHE  65  -9.343 -12.852   4.683
  483    HE1  PHE  65           HE2      PHE  65  -6.946 -16.492   6.991
  484    HE2  PHE  65           HE1      PHE  65  -8.770 -12.612   7.056
  485    HZ   PHE  65           HZ       PHE  65  -7.626 -14.456   8.227
  486    H    GLY  66           HN       GLY  66 -10.604 -17.057   0.781
  487   1HA   GLY  66           HAS      GLY  66  -8.847 -19.230   1.614
  488   2HA   GLY  66           HAR      GLY  66 -10.553 -19.715   1.423
  489    H    ARG  67           HN       ARG  67 -11.155 -20.355  -0.519
  490    HA   ARG  67           HA       ARG  67 -10.720 -18.870  -2.857
  491   1HB   ARG  67           HBS      ARG  67  -8.558 -20.678  -2.316
  492   2HB   ARG  67           HBR      ARG  67  -9.476 -21.272  -3.730
  493   1HG   ARG  67           HGS      ARG  67  -9.076 -19.291  -4.954
  494   2HG   ARG  67           HGR      ARG  67  -8.523 -18.409  -3.503
  495   1HD   ARG  67           HDS      ARG  67  -6.483 -18.900  -4.233
  496   2HD   ARG  67           HDR      ARG  67  -6.810 -20.519  -3.551
  497    HE   ARG  67           HE       ARG  67  -6.573 -19.819  -6.348
  498   1HH1  ARG  67           HH1      ARG  67  -7.751 -22.183  -4.012
  499   2HH1  ARG  67           HH1      ARG  67  -8.017 -23.400  -5.214
  500   1HH2  ARG  67           HH2      ARG  67  -7.056 -21.391  -7.907
  501   2HH2  ARG  67           HH2      ARG  67  -7.622 -22.954  -7.418
  502    H    GLY  68           HN       GLY  68 -12.422 -19.251  -4.055
  503   1HA   GLY  68           HAR      GLY  68 -13.895 -20.971  -5.194
  504   2HA   GLY  68           HAS      GLY  68 -13.922 -21.799  -3.615
  505    H    GLY  69           HN       GLY  69 -16.027 -21.590  -3.093
  506   1HA   GLY  69           HAS      GLY  69 -16.931 -18.818  -2.451
  507   2HA   GLY  69           HAR      GLY  69 -18.073 -20.042  -3.066
  508    H    ALA  70           HN       ALA  70 -19.312 -20.675  -1.446
  509    HA   ALA  70           HA       ALA  70 -18.315 -21.873   0.990
  510   1HB   ALA  70           HMB      ALA  70 -18.031 -19.235   1.090
  511   2HB   ALA  70           HMB      ALA  70 -19.762 -19.316   1.503
  512   3HB   ALA  70           HMB      ALA  70 -18.567 -20.189   2.496
  513    H    GLU  71           HN       GLU  71 -20.541 -21.128   2.592
  514    HA   GLU  71           HA       GLU  71 -22.510 -22.148   3.168
  515   1HB   GLU  71           HBS      GLU  71 -22.813 -20.805   0.754
  516   2HB   GLU  71           HBR      GLU  71 -23.576 -22.268   0.448
  517   1HG   GLU  71           HGR      GLU  71 -25.189 -21.872   2.326
  518   2HG   GLU  71           HGS      GLU  71 -24.090 -20.604   2.932
  519    H    SER  72           HN       SER  72 -20.169 -23.691   2.208
  520    HA   SER  72           HA       SER  72 -21.406 -26.197   2.629
  521   1HB   SER  72           HBR      SER  72 -20.168 -26.998   0.295
  522   2HB   SER  72           HBS      SER  72 -21.925 -26.840   0.580
  523    HG   SER  72           HG       SER  72 -20.521 -25.724  -1.284
  524    H    HIS  73           HN       HIS  73 -20.011 -26.570   4.210
  525    HA   HIS  73           HA       HIS  73 -17.120 -26.718   3.520
  526   1HB   HIS  73           HBR      HIS  73 -18.066 -27.236   6.323
  527   2HB   HIS  73           HBS      HIS  73 -16.527 -26.546   5.731
  528    HD1  HIS  73           HD1      HIS  73 -16.454 -23.950   5.369
  529    HD2  HIS  73           HD2      HIS  73 -20.175 -25.401   6.556
  530    HE1  HIS  73           HE1      HIS  73 -17.884 -21.942   5.825
  531    HE2  HIS  73           HE2      HIS  73 -20.143 -22.814   6.523
  532    H    THR  74           HN       THR  74 -19.245 -28.519   5.757
  533    HA   THR  74           HA       THR  74 -18.721 -31.016   4.239
  534    HB   THR  74           HB       THR  74 -18.183 -30.639   7.241
  535    HG1  THR  74           HG1      THR  74 -16.663 -31.212   5.062
  536   1HG2  THR  74           HMG      THR  74 -18.533 -33.044   5.609
  537   2HG2  THR  74           HMG      THR  74 -16.992 -33.007   6.504
  538   3HG2  THR  74           HMG      THR  74 -18.534 -32.831   7.378
  539    H    PHE  75           HN       PHE  75 -20.225 -29.828   7.273
  540    HA   PHE  75           HA       PHE  75 -22.255 -30.250   8.237
  541   1HB   PHE  75           HBS      PHE  75 -23.012 -30.902   5.381
  542   2HB   PHE  75           HBR      PHE  75 -24.099 -31.337   6.733
  543    HD1  PHE  75           HD1      PHE  75 -24.939 -29.646   8.221
  544    HD2  PHE  75           HD2      PHE  75 -22.807 -28.533   4.702
  545    HE1  PHE  75           HE1      PHE  75 -25.916 -27.400   8.364
  546    HE2  PHE  75           HE2      PHE  75 -23.777 -26.261   4.827
  547    HZ   PHE  75           HZ       PHE  75 -25.385 -25.723   6.635
  548    H    LYS  76           HN       LYS  76 -23.208 -31.938   9.313
  549    HA   LYS  76           HA       LYS  76 -23.185 -33.977  10.360
  550   1HB   LYS  76           HBS      LYS  76 -22.018 -35.368   7.980
  551   2HB   LYS  76           HBR      LYS  76 -23.239 -35.922   9.162
  552   1HG   LYS  76           HGR      LYS  76 -24.717 -34.038   8.040
  553   2HG   LYS  76           HGS      LYS  76 -23.578 -34.253   6.679
  554   1HD   LYS  76           HDS      LYS  76 -24.215 -36.840   7.330
  555   2HD   LYS  76           HDR      LYS  76 -25.703 -36.004   7.679
  556   1HE   LYS  76           HES      LYS  76 -26.164 -35.554   5.532
  557   2HE   LYS  76           HER      LYS  76 -24.448 -35.259   5.132
  558   1HZ   LYS  76           HZB      LYS  76 -24.230 -37.743   5.390
  559   2HZ   LYS  76           HZC      LYS  76 -25.859 -37.815   5.299
  560   3HZ   LYS  76           HZA      LYS  76 -24.997 -37.205   4.053
   
  No H/Q in entry =         560
  Start of MODEL   46
    1    H    PRO   1           HN       PRO   1  12.087   0.954   7.112
    2    HA   PRO   1           HA       PRO   1  13.493   1.956   5.660
    3   1HB   PRO   1           HBS      PRO   1  15.746   0.441   5.603
    4   2HB   PRO   1           HBR      PRO   1  15.595   1.914   6.309
    5   1HG   PRO   1           HGR      PRO   1  15.940  -0.484   7.555
    6   2HG   PRO   1           HGS      PRO   1  15.720   1.006   8.275
    7   1HD   PRO   1           HDR      PRO   1  13.868  -1.068   7.977
    8   2HD   PRO   1           HDS      PRO   1  13.766   0.265   8.952
    9    H    LYS   2           HN       LYS   2  14.490   1.555   3.513
   10    HA   LYS   2           HA       LYS   2  14.467   0.531   1.464
   11   1HB   LYS   2           HBS      LYS   2  14.497  -1.836   3.346
   12   2HB   LYS   2           HBR      LYS   2  14.496  -2.030   1.570
   13   1HG   LYS   2           HGS      LYS   2  16.601  -0.865   1.377
   14   2HG   LYS   2           HGR      LYS   2  16.569  -0.421   3.107
   15   1HD   LYS   2           HDR      LYS   2  18.118  -2.219   2.648
   16   2HD   LYS   2           HDS      LYS   2  16.858  -2.724   3.739
   17   1HE   LYS   2           HER      LYS   2  16.141  -4.311   2.348
   18   2HE   LYS   2           HES      LYS   2  16.220  -3.234   0.926
   19   1HZ   LYS   2           HZA      LYS   2  18.691  -3.584   1.108
   20   2HZ   LYS   2           HZB      LYS   2  18.365  -4.835   2.106
   21   3HZ   LYS   2           HZC      LYS   2  17.812  -4.850   0.569
   22    H    CYS   3           HN       CYS   3  13.244  -0.843  -0.036
   23    HA   CYS   3           HA       CYS   3  10.591   0.006   0.159
   24   1HB   CYS   3           HBS      CYS   3  12.087  -0.186  -1.860
   25   2HB   CYS   3           HBR      CYS   3  11.691  -1.927  -1.880
   26    HA   PRO   4           HA       PRO   4   8.511  -3.638   1.664
   27   1HB   PRO   4           HBR      PRO   4   6.108  -2.333   1.355
   28   2HB   PRO   4           HBS      PRO   4   6.866  -2.698   2.766
   29   1HG   PRO   4           HGS      PRO   4   6.531  -0.240   1.784
   30   2HG   PRO   4           HGR      PRO   4   7.563  -0.647   3.031
   31   1HD   PRO   4           HDS      PRO   4   8.185  -0.097   0.334
   32   2HD   PRO   4           HDR      PRO   4   9.164   0.024   1.663
   33    H    LYS   5           HN       LYS   5   8.392  -2.125  -1.281
   34    HA   LYS   5           HA       LYS   5   6.461  -4.001  -2.422
   35   1HB   LYS   5           HBR      LYS   5   7.209  -1.367  -2.958
   36   2HB   LYS   5           HBS      LYS   5   7.881  -2.306  -4.321
   37   1HG   LYS   5           HGR      LYS   5   4.984  -2.148  -3.418
   38   2HG   LYS   5           HGS      LYS   5   5.688  -1.566  -4.954
   39   1HD   LYS   5           HDR      LYS   5   5.409  -4.422  -4.057
   40   2HD   LYS   5           HDS      LYS   5   4.427  -3.625  -5.255
   41   1HE   LYS   5           HES      LYS   5   6.767  -3.190  -6.409
   42   2HE   LYS   5           HER      LYS   5   7.247  -4.574  -5.389
   43   1HZ   LYS   5           HZB      LYS   5   5.441  -5.814  -6.378
   44   2HZ   LYS   5           HZC      LYS   5   5.043  -4.551  -7.333
   45   3HZ   LYS   5           HZA      LYS   5   6.483  -5.298  -7.525
   46    H    CYS   6           HN       CYS   6   9.694  -2.898  -3.518
   47    HA   CYS   6           HA       CYS   6   9.817  -5.361  -5.140
   48   1HB   CYS   6           HBS      CYS   6  11.583  -4.267  -6.384
   49   2HB   CYS   6           HBR      CYS   6  10.076  -3.314  -6.341
   50    H    ASP   7           HN       ASP   7  10.976  -4.223  -2.191
   51    HA   ASP   7           HA       ASP   7  12.678  -4.681  -0.811
   52   1HB   ASP   7           HBS      ASP   7  13.446  -6.829  -0.532
   53   2HB   ASP   7           HBR      ASP   7  11.793  -7.015  -1.181
   54    H    LYS   8           HN       LYS   8  13.275  -2.834  -2.467
   55    HA   LYS   8           HA       LYS   8  16.189  -3.352  -2.841
   56   1HB   LYS   8           HBR      LYS   8  14.561  -2.132  -4.684
   57   2HB   LYS   8           HBS      LYS   8  15.147  -0.742  -3.729
   58   1HG   LYS   8           HGR      LYS   8  17.465  -2.178  -4.149
   59   2HG   LYS   8           HGS      LYS   8  16.567  -2.453  -5.668
   60   1HD   LYS   8           HDS      LYS   8  16.178   0.162  -5.480
   61   2HD   LYS   8           HDR      LYS   8  17.617   0.073  -4.500
   62   1HE   LYS   8           HER      LYS   8  18.923  -0.808  -6.237
   63   2HE   LYS   8           HES      LYS   8  17.492  -1.126  -7.256
   64   1HZ   LYS   8           HZB      LYS   8  17.347   1.505  -6.741
   65   2HZ   LYS   8           HZC      LYS   8  18.958   1.282  -6.903
   66   3HZ   LYS   8           HZA      LYS   8  17.947   0.844  -8.109
   67    H    GLU   9           HN       GLU   9  17.124  -0.841  -2.505
   68    HA   GLU   9           HA       GLU   9  15.942   0.164   0.053
   69   1HB   GLU   9           HBS      GLU   9  18.234   1.473  -0.148
   70   2HB   GLU   9           HBR      GLU   9  17.987   0.152   0.848
   71   1HG   GLU   9           HGS      GLU   9  18.765  -1.186  -1.366
   72   2HG   GLU   9           HGR      GLU   9  19.521   0.374  -1.785
   73    H    VAL  10           HN       VAL  10  15.616   2.370   0.233
   74    HA   VAL  10           HA       VAL  10  15.006   3.513  -2.430
   75    HB   VAL  10           HB       VAL  10  13.616   3.711   0.246
   76   1HG1  VAL  10           HMG      VAL  10  13.572   5.839  -1.269
   77   2HG1  VAL  10           HMG      VAL  10  12.427   4.886  -2.245
   78   3HG1  VAL  10           HMG      VAL  10  12.070   5.227  -0.535
   79   1HG2  VAL  10           HMG      VAL  10  13.487   1.738  -1.636
   80   2HG2  VAL  10           HMG      VAL  10  12.223   2.120  -0.444
   81   3HG2  VAL  10           HMG      VAL  10  12.113   2.785  -2.090
   82    H    TYR  11           HN       TYR  11  16.077   5.183  -3.086
   83    HA   TYR  11           HA       TYR  11  17.713   6.782  -1.224
   84   1HB   TYR  11           HBR      TYR  11  17.940   6.041  -3.944
   85   2HB   TYR  11           HBS      TYR  11  17.618   7.798  -3.931
   86    HD1  TYR  11           HD2      TYR  11  18.998   8.509  -1.368
   87    HD2  TYR  11           HD1      TYR  11  20.248   6.001  -4.568
   88    HE1  TYR  11           HE2      TYR  11  21.340   9.036  -0.857
   89    HE2  TYR  11           HE1      TYR  11  22.597   6.507  -4.056
   90    HH   TYR  11           HH       TYR  11  23.549   9.090  -2.766
   91    H    PHE  12           HN       PHE  12  17.600   9.242  -2.333
   92    HA   PHE  12           HA       PHE  12  15.455  10.199  -0.798
   93   1HB   PHE  12           HBS      PHE  12  17.370  11.690  -2.635
   94   2HB   PHE  12           HBR      PHE  12  16.144  12.497  -1.616
   95    HD1  PHE  12           HD1      PHE  12  16.103  11.348   0.823
   96    HD2  PHE  12           HD2      PHE  12  19.550  11.738  -1.653
   97    HE1  PHE  12           HE1      PHE  12  17.522  11.283   2.823
   98    HE2  PHE  12           HE2      PHE  12  21.002  11.669   0.348
   99    HZ   PHE  12           HZ       PHE  12  19.967  11.514   2.595
  100    H    ALA  13           HN       ALA  13  15.997  11.634  -3.981
  101    HA   ALA  13           HA       ALA  13  13.443  12.520  -4.027
  102   1HB   ALA  13           HMB      ALA  13  15.597  12.291  -6.106
  103   2HB   ALA  13           HMB      ALA  13  14.004  12.934  -6.575
  104   3HB   ALA  13           HMB      ALA  13  14.949  13.742  -5.299
  105    H    GLU  14           HN       GLU  14  14.304   9.398  -4.785
  106    HA   GLU  14           HA       GLU  14  11.923   8.924  -6.454
  107   1HB   GLU  14           HBR      GLU  14  12.886   6.693  -6.627
  108   2HB   GLU  14           HBS      GLU  14  13.885   7.949  -7.122
  109   1HG   GLU  14           HGR      GLU  14  14.672   7.671  -4.429
  110   2HG   GLU  14           HGS      GLU  14  14.382   6.015  -5.031
  111    H    ARG  15           HN       ARG  15  11.974   9.623  -3.438
  112    HA   ARG  15           HA       ARG  15  11.117   7.100  -2.224
  113   1HB   ARG  15           HBR      ARG  15  11.396   8.186  -0.120
  114   2HB   ARG  15           HBS      ARG  15  12.807   8.576  -1.145
  115   1HG   ARG  15           HGR      ARG  15  12.457  10.658  -0.352
  116   2HG   ARG  15           HGS      ARG  15  11.241  10.723  -1.661
  117   1HD   ARG  15           HDR      ARG  15   9.832   9.553   0.348
  118   2HD   ARG  15           HDS      ARG  15  10.913  10.650   1.254
  119    HE   ARG  15           HE       ARG  15   9.494  11.817  -1.034
  120   1HH1  ARG  15           HH1      ARG  15   9.864  11.524   2.459
  121   2HH1  ARG  15           HH1      ARG  15   8.713  12.774   2.796
  122   1HH2  ARG  15           HH2      ARG  15   7.901  13.356  -0.553
  123   2HH2  ARG  15           HH2      ARG  15   7.600  13.811   1.091
  124    H    VAL  16           HN       VAL  16   9.236   6.808  -1.047
  125    HA   VAL  16           HA       VAL  16   7.483   9.058  -0.618
  126    HB   VAL  16           HB       VAL  16   5.446   8.107  -1.445
  127   1HG1  VAL  16           HMG      VAL  16   6.916   9.480  -2.977
  128   2HG1  VAL  16           HMG      VAL  16   7.397   7.948  -3.747
  129   3HG1  VAL  16           HMG      VAL  16   5.692   8.457  -3.769
  130   1HG2  VAL  16           HMG      VAL  16   6.056   5.719  -1.155
  131   2HG2  VAL  16           HMG      VAL  16   5.274   6.080  -2.712
  132   3HG2  VAL  16           HMG      VAL  16   7.034   5.825  -2.638
  133    H    THR  17           HN       THR  17   6.202   8.809   1.182
  134    HA   THR  17           HA       THR  17   7.103   6.547   2.894
  135    HB   THR  17           HB       THR  17   6.559   9.459   3.713
  136    HG1  THR  17           HG1      THR  17   8.549   9.599   3.888
  137   1HG2  THR  17           HMG      THR  17   6.194   7.888   5.560
  138   2HG2  THR  17           HMG      THR  17   7.816   7.200   5.295
  139   3HG2  THR  17           HMG      THR  17   7.640   8.892   5.824
  140    H    SER  18           HN       SER  18   5.701   5.530   4.187
  141    HA   SER  18           HA       SER  18   3.013   6.226   4.720
  142   1HB   SER  18           HBR      SER  18   2.838   6.146   2.232
  143   2HB   SER  18           HBS      SER  18   3.289   4.418   2.309
  144    HG   SER  18           HG       SER  18   1.308   4.008   2.495
  145    H    LEU  19           HN       LEU  19   2.211   4.870   6.164
  146    HA   LEU  19           HA       LEU  19   2.266   3.296   7.815
  147   1HB   LEU  19           HBR      LEU  19   3.481   1.599   5.612
  148   2HB   LEU  19           HBS      LEU  19   2.826   1.002   7.164
  149    HG   LEU  19           HG       LEU  19   1.223   0.539   5.477
  150   1HD1  LEU  19           HMD      LEU  19   0.599   2.863   7.276
  151   2HD1  LEU  19           HMD      LEU  19  -0.620   2.296   6.107
  152   3HD1  LEU  19           HMD      LEU  19   0.014   1.182   7.346
  153   1HD2  LEU  19           HMD      LEU  19   2.273   2.354   3.968
  154   2HD2  LEU  19           HMD      LEU  19   0.521   2.055   3.835
  155   3HD2  LEU  19           HMD      LEU  19   1.117   3.464   4.746
  156    H    GLY  20           HN       GLY  20   4.630   5.081   7.002
  157   1HA   GLY  20           HAS      GLY  20   6.167   5.788   8.620
  158   2HA   GLY  20           HAR      GLY  20   6.151   4.156   9.339
  159    H    LYS  21           HN       LYS  21   6.454   3.188   6.386
  160    HA   LYS  21           HA       LYS  21   9.429   3.405   6.386
  161   1HB   LYS  21           HBR      LYS  21   9.208   1.092   5.174
  162   2HB   LYS  21           HBS      LYS  21   9.245   1.195   6.957
  163   1HG   LYS  21           HGS      LYS  21   6.566   1.355   6.517
  164   2HG   LYS  21           HGR      LYS  21   7.061   0.343   5.128
  165   1HD   LYS  21           HDS      LYS  21   7.583  -1.414   6.446
  166   2HD   LYS  21           HDR      LYS  21   8.261  -0.405   7.695
  167   1HE   LYS  21           HER      LYS  21   5.308  -0.433   7.297
  168   2HE   LYS  21           HES      LYS  21   6.106  -1.770   8.172
  169   1HZ   LYS  21           HZA      LYS  21   6.770   0.945   8.931
  170   2HZ   LYS  21           HZB      LYS  21   5.309   0.375   9.382
  171   3HZ   LYS  21           HZC      LYS  21   6.667  -0.400   9.852
  172    H    ASP  22           HN       ASP  22  10.384   3.660   4.424
  173    HA   ASP  22           HA       ASP  22   8.668   5.117   2.647
  174   1HB   ASP  22           HBS      ASP  22  11.617   4.693   2.252
  175   2HB   ASP  22           HBR      ASP  22  10.587   6.051   1.721
  176    H    TRP  23           HN       TRP  23   9.016   5.027   0.248
  177    HA   TRP  23           HA       TRP  23   9.399   2.255  -0.759
  178   1HB   TRP  23           HBR      TRP  23   7.137   4.133  -1.463
  179   2HB   TRP  23           HBS      TRP  23   7.340   2.419  -1.951
  180    HD1  TRP  23           HD1      TRP  23   6.497   4.599   1.125
  181    HE1  TRP  23           HE1      TRP  23   4.870   3.277   2.614
  182    HE3  TRP  23           HE3      TRP  23   6.552   0.203  -1.431
  183    HZ2  TRP  23           HZ2      TRP  23   3.698   0.730   2.612
  184    HZ3  TRP  23           HZ3      TRP  23   5.198  -1.660  -0.592
  185    HH2  TRP  23           HH2      TRP  23   3.718  -1.379   1.326
  186    H    HIS  24           HN       ZHI  24   9.295   2.262  -3.226
  187    HA   HIS  24           HA       ZHI  24  10.617   4.642  -4.370
  188   1HB   HIS  24           HBS      ZHI  24   9.937   2.019  -5.767
  189   2HB   HIS  24           HBR      ZHI  24  10.964   3.346  -6.384
  190    HD2  HIS  24           HD2      ZHI  24  13.068   3.826  -4.143
  191    HE1  HIS  24           HE1      ZHI  24  13.285  -0.261  -3.288
  192    HE2  HIS  24           HE2      ZHI  24  14.570   1.904  -3.278
  193    H    ARG  25           HN       ARG  25   9.759   5.919  -5.915
  194    HA   ARG  25           HA       ARG  25   6.910   6.323  -5.638
  195   1HB   ARG  25           HBR      ARG  25   8.446   8.223  -5.855
  196   2HB   ARG  25           HBS      ARG  25   8.920   7.660  -7.483
  197   1HG   ARG  25           HGS      ARG  25   7.323   9.550  -7.527
  198   2HG   ARG  25           HGR      ARG  25   6.692   8.082  -8.329
  199   1HD   ARG  25           HDR      ARG  25   4.932   8.105  -7.013
  200   2HD   ARG  25           HDS      ARG  25   5.990   7.974  -5.580
  201    HE   ARG  25           HE       ARG  25   5.987  10.379  -5.419
  202   1HH1  ARG  25           HH1      ARG  25   3.926   9.203  -8.026
  203   2HH1  ARG  25           HH1      ARG  25   2.889  10.590  -7.977
  204   1HH2  ARG  25           HH2      ARG  25   4.534  12.114  -5.298
  205   2HH2  ARG  25           HH2      ARG  25   3.234  12.239  -6.436
  206    HA   PRO  26           HA       PRO  26   7.228   4.621 -10.262
  207   1HB   PRO  26           HBR      PRO  26   9.424   2.899  -9.996
  208   2HB   PRO  26           HBS      PRO  26   9.088   3.935 -11.225
  209   1HG   PRO  26           HGR      PRO  26  11.017   4.298  -9.433
  210   2HG   PRO  26           HGS      PRO  26  10.387   5.481 -10.427
  211   1HD   PRO  26           HDS      PRO  26   9.999   5.135  -7.676
  212   2HD   PRO  26           HDR      PRO  26   9.676   6.468  -8.600
  213    H    CYS  27           HN       CYS  27   8.261   2.812  -7.502
  214    HA   CYS  27           HA       CYS  27   6.839   0.471  -8.121
  215   1HB   CYS  27           HBS      CYS  27   8.056   1.640  -5.665
  216   2HB   CYS  27           HBR      CYS  27   6.897   0.294  -5.471
  217    H    LEU  28           HN       LEU  28   5.925   3.150  -5.929
  218    HA   LEU  28           HA       LEU  28   3.702   1.850  -4.863
  219   1HB   LEU  28           HBS      LEU  28   5.078   3.861  -4.079
  220   2HB   LEU  28           HBR      LEU  28   3.994   4.847  -5.102
  221    HG   LEU  28           HG       LEU  28   2.113   3.670  -3.692
  222   1HD1  LEU  28           HMD      LEU  28   4.298   2.505  -2.502
  223   2HD1  LEU  28           HMD      LEU  28   3.972   3.884  -1.422
  224   3HD1  LEU  28           HMD      LEU  28   2.691   2.691  -1.754
  225   1HD2  LEU  28           HMD      LEU  28   3.542   6.108  -3.645
  226   2HD2  LEU  28           HMD      LEU  28   1.906   5.783  -3.015
  227   3HD2  LEU  28           HMD      LEU  28   3.321   5.622  -1.945
  228    H    LYS  29           HN       LYS  29   2.501   0.912  -6.505
  229    HA   LYS  29           HA       LYS  29   0.506   2.802  -7.634
  230   1HB   LYS  29           HBR      LYS  29   0.234   1.206  -9.559
  231   2HB   LYS  29           HBS      LYS  29   1.720   2.198  -9.571
  232   1HG   LYS  29           HGS      LYS  29   3.073   0.335  -8.921
  233   2HG   LYS  29           HGR      LYS  29   1.638  -0.664  -8.555
  234   1HD   LYS  29           HDS      LYS  29   1.054  -0.468 -11.010
  235   2HD   LYS  29           HDR      LYS  29   2.589   0.326 -11.245
  236   1HE   LYS  29           HER      LYS  29   3.681  -1.570 -11.345
  237   2HE   LYS  29           HES      LYS  29   2.988  -2.130  -9.797
  238   1HZ   LYS  29           HZA      LYS  29   0.977  -2.324 -11.611
  239   2HZ   LYS  29           HZB      LYS  29   2.286  -2.856 -12.429
  240   3HZ   LYS  29           HZC      LYS  29   1.867  -3.559 -11.016
  241    H    CYS  30           HN       CYS  30  -1.577   1.859  -7.932
  242    HA   CYS  30           HA       CYS  30  -2.463  -0.105  -6.055
  243   1HB   CYS  30           HBS      CYS  30  -3.729   1.723  -7.518
  244   2HB   CYS  30           HBR      CYS  30  -3.949   0.316  -8.596
  245    H    GLU  31           HN       GLU  31  -3.302  -2.204  -6.526
  246    HA   GLU  31           HA       GLU  31  -2.712  -3.299  -9.191
  247   1HB   GLU  31           HBS      GLU  31  -1.944  -5.330  -8.384
  248   2HB   GLU  31           HBR      GLU  31  -0.909  -4.141  -7.810
  249   1HG   GLU  31           HGR      GLU  31  -2.071  -4.319  -5.507
  250   2HG   GLU  31           HGS      GLU  31  -3.163  -5.498  -6.284
  251    H    LYS  32           HN       LYS  32  -4.960  -2.126  -7.671
  252    HA   LYS  32           HA       LYS  32  -6.775  -4.489  -7.496
  253   1HB   LYS  32           HBS      LYS  32  -6.310  -2.496  -5.546
  254   2HB   LYS  32           HBR      LYS  32  -7.891  -2.120  -6.290
  255   1HG   LYS  32           HGS      LYS  32  -7.070  -4.773  -5.040
  256   2HG   LYS  32           HGR      LYS  32  -8.168  -3.558  -4.322
  257   1HD   LYS  32           HDS      LYS  32  -9.834  -4.669  -5.276
  258   2HD   LYS  32           HDR      LYS  32  -9.266  -4.023  -6.792
  259   1HE   LYS  32           HES      LYS  32  -9.283  -6.203  -7.368
  260   2HE   LYS  32           HER      LYS  32  -7.636  -6.099  -6.686
  261   1HZ   LYS  32           HZB      LYS  32  -8.570  -6.869  -4.595
  262   2HZ   LYS  32           HZC      LYS  32 -10.040  -7.042  -5.284
  263   3HZ   LYS  32           HZA      LYS  32  -8.787  -7.961  -5.788
  264    H    CYS  33           HN       CYS  33  -6.256  -1.151  -8.559
  265    HA   CYS  33           HA       CYS  33  -8.354  -1.646 -10.609
  266   1HB   CYS  33           HBS      CYS  33  -8.513   0.755 -10.987
  267   2HB   CYS  33           HBR      CYS  33  -9.018   0.269  -9.345
  268    H    GLY  34           HN       GLY  34  -5.203  -0.068  -9.972
  269   1HA   GLY  34           HAR      GLY  34  -3.266  -0.925 -11.136
  270   2HA   GLY  34           HAS      GLY  34  -4.272  -1.146 -12.591
  271    H    LYS  35           HN       LYS  35  -3.622   1.539 -10.294
  272    HA   LYS  35           HA       LYS  35  -2.363   3.039 -12.507
  273   1HB   LYS  35           HBS      LYS  35  -4.884   3.751 -11.769
  274   2HB   LYS  35           HBR      LYS  35  -3.912   4.707 -10.616
  275   1HG   LYS  35           HGR      LYS  35  -2.585   5.534 -12.636
  276   2HG   LYS  35           HGS      LYS  35  -3.861   4.802 -13.649
  277   1HD   LYS  35           HDR      LYS  35  -5.492   6.234 -12.903
  278   2HD   LYS  35           HDS      LYS  35  -4.625   6.694 -11.464
  279   1HE   LYS  35           HES      LYS  35  -4.139   7.541 -14.315
  280   2HE   LYS  35           HER      LYS  35  -4.550   8.546 -12.896
  281   1HZ   LYS  35           HZB      LYS  35  -2.263   7.334 -12.188
  282   2HZ   LYS  35           HZC      LYS  35  -2.013   7.623 -13.775
  283   3HZ   LYS  35           HZA      LYS  35  -2.383   8.856 -12.771
  284    H    THR  36           HN       THR  36  -0.611   4.167 -11.893
  285    HA   THR  36           HA       THR  36   0.662   3.692  -9.416
  286    HB   THR  36           HB       THR  36   1.336   6.193 -10.981
  287    HG1  THR  36           HG1      THR  36   0.866   5.133 -12.434
  288   1HG2  THR  36           HMG      THR  36   2.749   4.224  -9.320
  289   2HG2  THR  36           HMG      THR  36   3.612   4.683 -10.811
  290   3HG2  THR  36           HMG      THR  36   3.117   5.937  -9.644
  291    H    LEU  37           HN       LEU  37   1.250   5.229  -7.779
  292    HA   LEU  37           HA       LEU  37  -1.099   6.926  -7.095
  293   1HB   LEU  37           HBR      LEU  37   0.755   5.449  -5.213
  294   2HB   LEU  37           HBS      LEU  37  -0.831   6.190  -4.858
  295    HG   LEU  37           HG       LEU  37  -0.642   3.916  -6.807
  296   1HD1  LEU  37           HMD      LEU  37   0.110   3.805  -4.019
  297   2HD1  LEU  37           HMD      LEU  37  -1.386   2.878  -4.296
  298   3HD1  LEU  37           HMD      LEU  37   0.080   2.507  -5.239
  299   1HD2  LEU  37           HMD      LEU  37  -2.641   5.562  -5.802
  300   2HD2  LEU  37           HMD      LEU  37  -2.872   4.005  -6.638
  301   3HD2  LEU  37           HMD      LEU  37  -2.813   4.061  -4.858
  302    H    THR  38           HN       THR  38  -0.229   8.209  -4.920
  303    HA   THR  38           HA       THR  38   1.728  10.060  -6.174
  304    HB   THR  38           HB       THR  38  -0.257  11.024  -4.109
  305    HG1  THR  38           HG1      THR  38  -0.707  10.461  -6.730
  306   1HG2  THR  38           HMG      THR  38   1.384  12.188  -6.180
  307   2HG2  THR  38           HMG      THR  38  -0.324  12.654  -6.388
  308   3HG2  THR  38           HMG      THR  38   0.502  12.967  -4.840
  309    H    SER  39           HN       SER  39   2.298  11.782  -4.273
  310    HA   SER  39           HA       SER  39   4.425  10.449  -3.054
  311   1HB   SER  39           HBR      SER  39   5.085  12.503  -2.166
  312   2HB   SER  39           HBS      SER  39   4.204  12.913  -3.665
  313    HG   SER  39           HG       SER  39   2.902  14.079  -2.654
  314    H    GLY  40           HN       GLY  40   1.184  10.898  -1.965
  315   1HA   GLY  40           HAR      GLY  40   1.362   8.876  -0.067
  316   2HA   GLY  40           HAS      GLY  40   1.542  10.392   0.855
  317    H    GLY  41           HN       GLY  41  -0.406   9.462  -2.010
  318   1HA   GLY  41           HAR      GLY  41  -2.878   9.962  -0.403
  319   2HA   GLY  41           HAS      GLY  41  -2.781  10.301  -2.151
  320    H    HIS  42           HN       HIS  42  -0.893   7.615  -1.605
  321    HA   HIS  42           HA       HIS  42  -2.931   5.740  -2.388
  322   1HB   HIS  42           HBS      HIS  42  -1.177   4.038  -2.342
  323   2HB   HIS  42           HBR      HIS  42  -0.618   5.498  -3.209
  324    HD1  HIS  42           HD1      HIS  42   0.586   3.126  -0.777
  325    HD2  HIS  42           HD2      HIS  42   0.823   7.265  -1.185
  326    HE1  HIS  42           HE1      HIS  42   2.396   3.888   0.781
  327    HE2  HIS  42           HE2      HIS  42   2.609   6.380   0.463
  328    H    ALA  43           HN       ALA  43  -2.382   3.427  -1.136
  329    HA   ALA  43           HA       ALA  43  -2.085   3.737   1.717
  330   1HB   ALA  43           HMB      ALA  43  -4.706   3.844   0.804
  331   2HB   ALA  43           HMB      ALA  43  -4.487   2.147   1.302
  332   3HB   ALA  43           HMB      ALA  43  -4.160   3.465   2.457
  333    H    GLU  44           HN       GLU  44  -2.841   1.295   2.585
  334    HA   GLU  44           HA       GLU  44  -1.754  -0.856   0.930
  335   1HB   GLU  44           HBR      GLU  44   0.176   0.597   1.375
  336   2HB   GLU  44           HBS      GLU  44  -0.218   0.638   3.006
  337   1HG   GLU  44           HGS      GLU  44   0.098  -2.102   2.081
  338   2HG   GLU  44           HGR      GLU  44   1.622  -1.181   1.966
  339    H    HIS  45           HN       HIS  45  -1.978  -2.826   1.907
  340    HA   HIS  45           HA       HIS  45  -2.997  -2.858   4.702
  341   1HB   HIS  45           HBS      HIS  45  -4.748  -3.380   3.007
  342   2HB   HIS  45           HBR      HIS  45  -3.743  -4.739   2.419
  343    HD1  HIS  45           HD1      HIS  45  -5.500  -3.653   5.673
  344    HD2  HIS  45           HD2      HIS  45  -3.875  -7.028   3.852
  345    HE1  HIS  45           HE1      HIS  45  -6.035  -5.592   7.170
  346    HE2  HIS  45           HE2      HIS  45  -5.085  -7.643   6.056
  347    H    GLU  46           HN       GLU  46  -0.812  -3.119   5.413
  348    HA   GLU  46           HA       GLU  46   1.121  -4.228   5.966
  349   1HB   GLU  46           HBS      GLU  46  -0.700  -6.552   5.506
  350   2HB   GLU  46           HBR      GLU  46   0.727  -6.648   6.383
  351   1HG   GLU  46           HGS      GLU  46  -1.917  -5.378   7.026
  352   2HG   GLU  46           HGR      GLU  46  -0.969  -6.424   8.118
  353    H    GLY  47           HN       GLY  47   2.190  -3.585   4.033
  354   1HA   GLY  47           HAR      GLY  47   3.804  -4.113   2.482
  355   2HA   GLY  47           HAS      GLY  47   3.597  -5.805   3.004
  356    H    LYS  48           HN       LYS  48   1.202  -3.620   1.521
  357    HA   LYS  48           HA       LYS  48   1.712  -4.438  -1.181
  358   1HB   LYS  48           HBS      LYS  48  -0.243  -6.005   0.355
  359   2HB   LYS  48           HBR      LYS  48  -0.931  -5.233  -1.102
  360   1HG   LYS  48           HGS      LYS  48  -0.036  -6.823  -2.387
  361   2HG   LYS  48           HGR      LYS  48   1.597  -6.412  -1.794
  362   1HD   LYS  48           HDS      LYS  48   1.502  -8.031  -0.113
  363   2HD   LYS  48           HDR      LYS  48  -0.238  -8.097  -0.141
  364   1HE   LYS  48           HES      LYS  48  -0.027  -9.961  -1.318
  365   2HE   LYS  48           HER      LYS  48   0.387  -8.885  -2.683
  366   1HZ   LYS  48           HZB      LYS  48   2.716  -9.075  -1.856
  367   2HZ   LYS  48           HZC      LYS  48   2.224 -10.298  -0.890
  368   3HZ   LYS  48           HZA      LYS  48   2.094 -10.435  -2.511
  369    HA   PRO  49           HA       PRO  49  -0.185  -0.394  -0.668
  370   1HB   PRO  49           HBR      PRO  49   1.047   0.658  -2.790
  371   2HB   PRO  49           HBS      PRO  49   1.615   0.739  -1.251
  372   1HG   PRO  49           HGS      PRO  49   2.535  -0.844  -3.360
  373   2HG   PRO  49           HGR      PRO  49   3.349  -0.376  -1.980
  374   1HD   PRO  49           HDS      PRO  49   2.313  -2.818  -2.423
  375   2HD   PRO  49           HDR      PRO  49   2.835  -2.247  -0.962
  376    H    TYR  50           HN       TYR  50  -1.852   0.714  -1.534
  377    HA   TYR  50           HA       TYR  50  -2.575   0.083  -4.269
  378   1HB   TYR  50           HBR      TYR  50  -4.648  -0.353  -2.086
  379   2HB   TYR  50           HBS      TYR  50  -4.904  -0.461  -3.851
  380    HD1  TYR  50           HD1      TYR  50  -3.171  -2.094  -0.972
  381    HD2  TYR  50           HD2      TYR  50  -4.505  -2.476  -4.992
  382    HE1  TYR  50           HE1      TYR  50  -2.804  -4.520  -0.857
  383    HE2  TYR  50           HE2      TYR  50  -4.139  -4.900  -4.892
  384    HH   TYR  50           HH       TYR  50  -2.484  -6.362  -2.111
  385    H    CYS  51           HN       CYS  51  -4.937   1.400  -4.464
  386    HA   CYS  51           HA       CYS  51  -4.603   4.091  -4.171
  387   1HB   CYS  51           HBS      CYS  51  -7.107   2.423  -4.055
  388   2HB   CYS  51           HBR      CYS  51  -7.148   4.206  -3.941
  389    H    ASN  52           HN       ASN  52  -6.126   5.536  -2.788
  390    HA   ASN  52           HA       ASN  52  -6.275   4.539  -0.002
  391   1HB   ASN  52           HBR      ASN  52  -4.910   6.582  -0.187
  392   2HB   ASN  52           HBS      ASN  52  -6.335   7.438  -0.842
  393   1HD2  ASN  52           HD2      ASN  52  -5.771   7.553   3.029
  394   2HD2  ASN  52           HD2      ASN  52  -4.563   7.317   1.810
  395    H    HIS  53           HN       HIS  53  -7.888   5.918  -2.783
  396    HA   HIS  53           HA       HIS  53 -10.188   4.294  -2.086
  397   1HB   HIS  53           HBS      HIS  53 -10.497   7.312  -2.336
  398   2HB   HIS  53           HBR      HIS  53 -11.822   6.171  -2.705
  399    HD1  HIS  53           HD1      HIS  53 -13.254   5.491  -0.719
  400    HD2  HIS  53           HD2      HIS  53  -9.615   7.183   0.401
  401    HE1  HIS  53           HE1      HIS  53 -13.402   5.919   1.746
  402    HE2  HIS  53           HE2      HIS  53 -11.200   6.934   2.432
  403    HA   PRO  54           HA       PRO  54 -12.217   4.412  -2.849
  404   1HB   PRO  54           HBR      PRO  54 -13.630   2.726  -4.364
  405   2HB   PRO  54           HBS      PRO  54 -13.978   4.320  -4.169
  406   1HG   PRO  54           HGS      PRO  54 -13.008   3.058  -6.423
  407   2HG   PRO  54           HGR      PRO  54 -13.574   4.621  -6.286
  408   1HD   PRO  54           HDS      PRO  54 -10.951   3.802  -6.444
  409   2HD   PRO  54           HDR      PRO  54 -11.516   5.353  -6.347
  410    H    CYS  55           HN       CYS  55  -9.966   2.562  -4.382
  411    HA   CYS  55           HA       CYS  55 -10.896   0.005  -3.957
  412   1HB   CYS  55           HBS      CYS  55  -7.989   0.855  -4.036
  413   2HB   CYS  55           HBR      CYS  55  -8.641  -0.777  -4.360
  414    H    TYR  56           HN       TYR  56  -8.669   1.858  -1.864
  415    HA   TYR  56           HA       TYR  56  -8.085  -0.294  -0.122
  416   1HB   TYR  56           HBR      TYR  56  -6.641   1.653  -0.303
  417   2HB   TYR  56           HBS      TYR  56  -7.928   2.708   0.346
  418    HD1  TYR  56           HD2      TYR  56  -6.748  -0.642   1.509
  419    HD2  TYR  56           HD1      TYR  56  -7.113   3.498   2.418
  420    HE1  TYR  56           HE2      TYR  56  -6.043  -1.095   3.816
  421    HE2  TYR  56           HE1      TYR  56  -6.414   3.057   4.732
  422    HH   TYR  56           HH       TYR  56  -6.613   0.517   6.245
  423    H    SER  57           HN       SER  57 -10.480   2.336   0.081
  424    HA   SER  57           HA       SER  57 -11.275   1.627   2.788
  425   1HB   SER  57           HBS      SER  57 -12.195   3.648   0.762
  426   2HB   SER  57           HBR      SER  57 -13.179   3.284   2.209
  427    HG   SER  57           HG       SER  57 -11.987   4.445   3.373
  428    H    ALA  58           HN       ALA  58 -12.015   0.592  -0.390
  429    HA   ALA  58           HA       ALA  58 -14.754  -0.236   0.304
  430   1HB   ALA  58           HMB      ALA  58 -14.246   0.968  -1.806
  431   2HB   ALA  58           HMB      ALA  58 -13.261  -0.422  -2.326
  432   3HB   ALA  58           HMB      ALA  58 -15.011  -0.621  -2.054
  433    H    MET  59           HN       MET  59 -11.876  -1.722  -1.246
  434    HA   MET  59           HA       MET  59 -13.009  -4.301  -1.309
  435   1HB   MET  59           HBR      MET  59 -10.055  -3.626  -1.373
  436   2HB   MET  59           HBS      MET  59 -10.857  -5.072  -2.041
  437   1HG   MET  59           HGS      MET  59 -11.618  -2.266  -2.955
  438   2HG   MET  59           HGR      MET  59 -10.228  -3.122  -3.659
  439   1HE   MET  59           HME      MET  59 -11.013  -3.275  -5.939
  440   2HE   MET  59           HME      MET  59 -12.526  -3.986  -6.554
  441   3HE   MET  59           HME      MET  59 -12.556  -2.412  -5.722
  442    H    PHE  60           HN       PHE  60 -11.060  -2.654   1.106
  443    HA   PHE  60           HA       PHE  60 -10.909  -5.136   2.735
  444   1HB   PHE  60           HBR      PHE  60  -9.393  -2.517   2.903
  445   2HB   PHE  60           HBS      PHE  60  -9.559  -3.589   4.323
  446    HD1  PHE  60           HD1      PHE  60  -9.219  -6.136   3.654
  447    HD2  PHE  60           HD2      PHE  60  -7.314  -2.828   1.759
  448    HE1  PHE  60           HE1      PHE  60  -7.446  -7.635   2.864
  449    HE2  PHE  60           HE2      PHE  60  -5.522  -4.321   0.940
  450    HZ   PHE  60           HZ       PHE  60  -5.629  -6.743   1.456
  451    H    GLY  61           HN       GLY  61 -13.071  -5.230   3.283
  452   1HA   GLY  61           HAS      GLY  61 -14.254  -2.873   4.683
  453   2HA   GLY  61           HAR      GLY  61 -15.174  -4.161   3.858
  454    HA   PRO  62           HA       PRO  62 -15.016  -4.761   8.430
  455   1HB   PRO  62           HBR      PRO  62 -17.623  -5.460   8.597
  456   2HB   PRO  62           HBS      PRO  62 -16.995  -3.999   9.001
  457   1HG   PRO  62           HGS      PRO  62 -18.474  -4.679   6.741
  458   2HG   PRO  62           HGR      PRO  62 -18.205  -3.165   7.388
  459   1HD   PRO  62           HDS      PRO  62 -17.040  -4.093   5.171
  460   2HD   PRO  62           HDR      PRO  62 -16.492  -2.807   6.056
  461    H    LYS  63           HN       LYS  63 -17.399  -6.885   7.099
  462    HA   LYS  63           HA       LYS  63 -15.677  -9.194   7.857
  463   1HB   LYS  63           HBS      LYS  63 -18.551  -8.692   8.691
  464   2HB   LYS  63           HBR      LYS  63 -17.675 -10.236   8.885
  465   1HG   LYS  63           HGR      LYS  63 -17.270  -9.413  10.964
  466   2HG   LYS  63           HGS      LYS  63 -15.940  -8.565  10.122
  467   1HD   LYS  63           HDS      LYS  63 -17.173  -7.079  11.605
  468   2HD   LYS  63           HDR      LYS  63 -17.177  -6.579   9.936
  469   1HE   LYS  63           HES      LYS  63 -19.408  -7.015   9.618
  470   2HE   LYS  63           HER      LYS  63 -19.455  -8.209  10.945
  471   1HZ   LYS  63           HZA      LYS  63 -19.067  -6.285  12.439
  472   2HZ   LYS  63           HZB      LYS  63 -19.340  -5.287  11.175
  473   3HZ   LYS  63           HZC      LYS  63 -20.521  -6.287  11.695
  474    H    GLY  64           HN       GLY  64 -19.091  -8.838   6.888
  475   1HA   GLY  64           HAS      GLY  64 -19.570  -9.453   4.400
  476   2HA   GLY  64           HAR      GLY  64 -18.596 -10.892   4.796
  477    H    PHE  65           HN       PHE  65 -19.495 -11.063   7.552
  478    HA   PHE  65           HA       PHE  65 -22.300 -10.900   7.784
  479   1HB   PHE  65           HBS      PHE  65 -21.849 -13.121   6.304
  480   2HB   PHE  65           HBR      PHE  65 -21.644 -13.810   7.941
  481    HD1  PHE  65           HD1      PHE  65 -23.434 -12.600   9.604
  482    HD2  PHE  65           HD2      PHE  65 -24.060 -13.606   5.511
  483    HE1  PHE  65           HE1      PHE  65 -25.854 -12.624  10.001
  484    HE2  PHE  65           HE2      PHE  65 -26.504 -13.638   5.885
  485    HZ   PHE  65           HZ       PHE  65 -27.395 -13.083   8.131
  486    H    GLY  66           HN       GLY  66 -19.822 -13.268   8.842
  487   1HA   GLY  66           HAS      GLY  66 -18.622 -12.257  10.907
  488   2HA   GLY  66           HAR      GLY  66 -20.230 -12.406  11.666
  489    H    ARG  67           HN       ARG  67 -17.539 -14.167  10.194
  490    HA   ARG  67           HA       ARG  67 -16.657 -16.237  10.610
  491   1HB   ARG  67           HBR      ARG  67 -18.070 -15.507  13.152
  492   2HB   ARG  67           HBS      ARG  67 -17.418 -17.160  12.962
  493   1HG   ARG  67           HGS      ARG  67 -15.185 -16.144  12.454
  494   2HG   ARG  67           HGR      ARG  67 -15.878 -14.546  12.853
  495   1HD   ARG  67           HDS      ARG  67 -16.170 -15.087  15.082
  496   2HD   ARG  67           HDR      ARG  67 -16.074 -16.844  14.769
  497    HE   ARG  67           HE       ARG  67 -13.815 -14.960  14.993
  498   1HH1  ARG  67           HH1      ARG  67 -14.874 -18.185  14.041
  499   2HH1  ARG  67           HH1      ARG  67 -13.343 -18.912  14.398
  500   1HH2  ARG  67           HH2      ARG  67 -11.869 -15.967  15.569
  501   2HH2  ARG  67           HH2      ARG  67 -11.642 -17.657  15.262
  502    H    GLY  68           HN       GLY  68 -19.446 -15.933   9.406
  503   1HA   GLY  68           HAR      GLY  68 -20.492 -17.753   8.177
  504   2HA   GLY  68           HAS      GLY  68 -20.103 -18.842   9.535
  505    H    GLY  69           HN       GLY  69 -20.835 -17.079  11.652
  506   1HA   GLY  69           HAS      GLY  69 -23.316 -16.000  11.916
  507   2HA   GLY  69           HAR      GLY  69 -23.692 -17.717  11.612
  508    H    ALA  70           HN       ALA  70 -22.492 -19.309  12.986
  509    HA   ALA  70           HA       ALA  70 -21.844 -18.235  15.669
  510   1HB   ALA  70           HMB      ALA  70 -24.218 -19.607  15.131
  511   2HB   ALA  70           HMB      ALA  70 -23.133 -20.823  15.852
  512   3HB   ALA  70           HMB      ALA  70 -23.473 -19.305  16.722
  513    H    GLU  71           HN       GLU  71 -21.177 -20.494  16.940
  514    HA   GLU  71           HA       GLU  71 -18.553 -20.796  15.986
  515   1HB   GLU  71           HBS      GLU  71 -20.305 -21.847  18.067
  516   2HB   GLU  71           HBR      GLU  71 -19.040 -22.897  17.738
  517   1HG   GLU  71           HGS      GLU  71 -18.644 -21.254  19.613
  518   2HG   GLU  71           HGR      GLU  71 -17.361 -21.140  18.378
  519    H    SER  72           HN       SER  72 -21.232 -23.181  16.071
  520    HA   SER  72           HA       SER  72 -20.367 -24.163  13.468
  521   1HB   SER  72           HBR      SER  72 -19.068 -25.645  14.854
  522   2HB   SER  72           HBS      SER  72 -20.505 -26.037  15.842
  523    HG   SER  72           HG       SER  72 -19.608 -27.447  13.949
  524    H    HIS  73           HN       HIS  73 -22.138 -23.920  12.356
  525    HA   HIS  73           HA       HIS  73 -24.654 -23.519  13.570
  526   1HB   HIS  73           HBS      HIS  73 -25.603 -23.484  11.280
  527   2HB   HIS  73           HBR      HIS  73 -24.159 -22.444  11.446
  528    HD1  HIS  73           HD1      HIS  73 -21.862 -23.505  10.390
  529    HD2  HIS  73           HD2      HIS  73 -25.429 -25.392   9.356
  530    HE1  HIS  73           HE1      HIS  73 -21.321 -25.050   8.491
  531    HE2  HIS  73           HE2      HIS  73 -23.472 -26.210   7.876
  532    H    THR  74           HN       THR  74 -25.828 -24.988  14.524
  533    HA   THR  74           HA       THR  74 -27.079 -26.990  12.962
  534    HB   THR  74           HB       THR  74 -25.150 -28.417  13.246
  535    HG1  THR  74           HG1      THR  74 -26.108 -29.878  13.804
  536   1HG2  THR  74           HMG      THR  74 -24.620 -27.085  15.599
  537   2HG2  THR  74           HMG      THR  74 -25.162 -28.687  16.161
  538   3HG2  THR  74           HMG      THR  74 -23.799 -28.556  15.020
  539    H    PHE  75           HN       PHE  75 -26.130 -26.414  16.372
  540    HA   PHE  75           HA       PHE  75 -28.835 -25.698  17.051
  541   1HB   PHE  75           HBS      PHE  75 -28.137 -28.459  17.500
  542   2HB   PHE  75           HBR      PHE  75 -28.266 -27.626  19.076
  543    HD1  PHE  75           HD1      PHE  75 -29.956 -28.388  15.926
  544    HD2  PHE  75           HD2      PHE  75 -30.483 -26.897  19.883
  545    HE1  PHE  75           HE1      PHE  75 -32.386 -28.592  15.657
  546    HE2  PHE  75           HE2      PHE  75 -32.937 -27.090  19.635
  547    HZ   PHE  75           HZ       PHE  75 -33.876 -28.001  17.530
  548    H    LYS  76           HN       LYS  76 -25.839 -26.973  18.558
  549    HA   LYS  76           HA       LYS  76 -25.110 -24.323  19.432
  550   1HB   LYS  76           HBR      LYS  76 -26.745 -25.338  21.237
  551   2HB   LYS  76           HBS      LYS  76 -25.294 -26.270  21.705
  552   1HG   LYS  76           HGR      LYS  76 -25.443 -24.277  23.077
  553   2HG   LYS  76           HGS      LYS  76 -24.051 -24.126  21.967
  554   1HD   LYS  76           HDS      LYS  76 -25.048 -22.032  21.939
  555   2HD   LYS  76           HDR      LYS  76 -25.482 -22.809  20.441
  556   1HE   LYS  76           HES      LYS  76 -27.626 -22.495  20.831
  557   2HE   LYS  76           HER      LYS  76 -27.491 -23.437  22.343
  558   1HZ   LYS  76           HZA      LYS  76 -26.678 -21.347  23.362
  559   2HZ   LYS  76           HZB      LYS  76 -27.104 -20.548  22.001
  560   3HZ   LYS  76           HZC      LYS  76 -28.243 -21.304  22.895
   
  No H/Q in entry =         560
  Start of MODEL   47
    1    H    PRO   1           HN       PRO   1  12.621   5.478   4.850
    2    HA   PRO   1           HA       PRO   1  13.571   5.242   2.659
    3   1HB   PRO   1           HBS      PRO   1  15.828   3.842   3.605
    4   2HB   PRO   1           HBR      PRO   1  15.764   4.982   2.425
    5   1HG   PRO   1           HGR      PRO   1  16.733   5.366   4.876
    6   2HG   PRO   1           HGS      PRO   1  16.285   6.579   3.821
    7   1HD   PRO   1           HDR      PRO   1  15.005   5.783   6.155
    8   2HD   PRO   1           HDS      PRO   1  14.677   7.105   5.217
    9    H    LYS   2           HN       LYS   2  14.688   2.882   1.868
   10    HA   LYS   2           HA       LYS   2  14.424   0.619   1.717
   11   1HB   LYS   2           HBR      LYS   2  13.239   0.707   4.501
   12   2HB   LYS   2           HBS      LYS   2  14.091  -0.636   3.688
   13   1HG   LYS   2           HGR      LYS   2  15.923   0.033   4.794
   14   2HG   LYS   2           HGS      LYS   2  15.961   1.428   3.678
   15   1HD   LYS   2           HDR      LYS   2  15.146   2.876   5.177
   16   2HD   LYS   2           HDS      LYS   2  14.190   1.695   6.029
   17   1HE   LYS   2           HES      LYS   2  15.940   2.442   7.476
   18   2HE   LYS   2           HER      LYS   2  16.303   0.765   6.978
   19   1HZ   LYS   2           HZB      LYS   2  17.504   2.286   5.112
   20   2HZ   LYS   2           HZC      LYS   2  17.763   3.144   6.475
   21   3HZ   LYS   2           HZA      LYS   2  18.246   1.587   6.388
   22    H    CYS   3           HN       CYS   3  12.984  -0.242   0.445
   23    HA   CYS   3           HA       CYS   3  10.276   0.608   0.561
   24   1HB   CYS   3           HBS      CYS   3  11.722   0.304  -1.458
   25   2HB   CYS   3           HBR      CYS   3  11.521  -1.459  -1.254
   26    HA   PRO   4           HA       PRO   4   8.624  -2.936   2.650
   27   1HB   PRO   4           HBR      PRO   4   6.197  -1.611   2.794
   28   2HB   PRO   4           HBS      PRO   4   7.214  -1.987   4.028
   29   1HG   PRO   4           HGS      PRO   4   6.748   0.469   3.176
   30   2HG   PRO   4           HGR      PRO   4   8.079   0.025   4.079
   31   1HD   PRO   4           HDS      PRO   4   7.916   0.519   1.291
   32   2HD   PRO   4           HDR      PRO   4   9.218   0.714   2.293
   33    H    LYS   5           HN       LYS   5   8.179  -1.903  -0.350
   34    HA   LYS   5           HA       LYS   5   5.901  -3.709  -0.952
   35   1HB   LYS   5           HBS      LYS   5   6.144  -1.317  -1.934
   36   2HB   LYS   5           HBR      LYS   5   7.397  -2.033  -2.964
   37   1HG   LYS   5           HGS      LYS   5   4.858  -3.555  -2.896
   38   2HG   LYS   5           HGR      LYS   5   4.725  -1.913  -3.588
   39   1HD   LYS   5           HDS      LYS   5   5.380  -2.864  -5.491
   40   2HD   LYS   5           HDR      LYS   5   6.974  -2.812  -4.787
   41   1HE   LYS   5           HER      LYS   5   6.529  -4.984  -5.719
   42   2HE   LYS   5           HES      LYS   5   6.741  -5.087  -3.949
   43   1HZ   LYS   5           HZA      LYS   5   4.182  -4.841  -4.016
   44   2HZ   LYS   5           HZB      LYS   5   4.331  -5.426  -5.533
   45   3HZ   LYS   5           HZC      LYS   5   4.872  -6.301  -4.264
   46    H    CYS   6           HN       CYS   6   8.933  -2.925  -2.684
   47    HA   CYS   6           HA       CYS   6   8.904  -5.633  -3.796
   48   1HB   CYS   6           HBS      CYS   6  10.751  -4.926  -5.180
   49   2HB   CYS   6           HBR      CYS   6   9.365  -3.810  -5.286
   50    H    ASP   7           HN       ASP   7  10.262  -4.038  -1.111
   51    HA   ASP   7           HA       ASP   7  11.845  -4.550   0.417
   52   1HB   ASP   7           HBR      ASP   7  12.082  -7.310  -0.740
   53   2HB   ASP   7           HBS      ASP   7  12.297  -6.750   0.944
   54    H    LYS   8           HN       LYS   8  12.685  -3.106  -1.675
   55    HA   LYS   8           HA       LYS   8  15.537  -3.972  -1.797
   56   1HB   LYS   8           HBR      LYS   8  13.971  -2.667  -3.753
   57   2HB   LYS   8           HBS      LYS   8  15.033  -1.417  -3.046
   58   1HG   LYS   8           HGR      LYS   8  16.288  -2.252  -4.835
   59   2HG   LYS   8           HGS      LYS   8  16.943  -3.131  -3.424
   60   1HD   LYS   8           HDS      LYS   8  15.583  -5.067  -3.950
   61   2HD   LYS   8           HDR      LYS   8  14.834  -4.215  -5.273
   62   1HE   LYS   8           HES      LYS   8  16.377  -5.020  -6.625
   63   2HE   LYS   8           HER      LYS   8  17.563  -3.994  -5.770
   64   1HZ   LYS   8           HZB      LYS   8  16.905  -6.470  -4.478
   65   2HZ   LYS   8           HZC      LYS   8  17.705  -6.629  -5.893
   66   3HZ   LYS   8           HZA      LYS   8  18.356  -5.749  -4.682
   67    H    GLU   9           HN       GLU   9  16.741  -1.554  -1.775
   68    HA   GLU   9           HA       GLU   9  15.621  -0.050   0.553
   69   1HB   GLU   9           HBR      GLU   9  18.420   0.403  -0.295
   70   2HB   GLU   9           HBS      GLU   9  17.668   0.577   1.191
   71   1HG   GLU   9           HGS      GLU   9  18.345  -1.331   1.977
   72   2HG   GLU   9           HGR      GLU   9  17.564  -2.254   0.665
   73    H    VAL  10           HN       VAL  10  15.759   2.252   0.346
   74    HA   VAL  10           HA       VAL  10  15.199   2.919  -2.492
   75    HB   VAL  10           HB       VAL  10  13.856   3.702   0.099
   76   1HG1  VAL  10           HMG      VAL  10  14.012   5.620  -1.594
   77   2HG1  VAL  10           HMG      VAL  10  12.904   4.654  -2.599
   78   3HG1  VAL  10           HMG      VAL  10  12.402   5.182  -0.974
   79   1HG2  VAL  10           HMG      VAL  10  13.490   1.510  -1.500
   80   2HG2  VAL  10           HMG      VAL  10  12.309   2.182  -0.354
   81   3HG2  VAL  10           HMG      VAL  10  12.225   2.631  -2.072
   82    H    TYR  11           HN       TYR  11  16.415   4.339  -3.431
   83    HA   TYR  11           HA       TYR  11  18.573   5.374  -1.782
   84   1HB   TYR  11           HBS      TYR  11  18.970   3.983  -3.805
   85   2HB   TYR  11           HBR      TYR  11  18.279   5.284  -4.815
   86    HD1  TYR  11           HD2      TYR  11  21.087   4.453  -2.525
   87    HD2  TYR  11           HD1      TYR  11  19.668   7.049  -5.580
   88    HE1  TYR  11           HE2      TYR  11  23.350   5.359  -2.794
   89    HE2  TYR  11           HE1      TYR  11  21.924   7.991  -5.836
   90    HH   TYR  11           HH       TYR  11  24.231   7.095  -5.576
   91    H    PHE  12           HN       PHE  12  16.371   6.859  -1.275
   92    HA   PHE  12           HA       PHE  12  16.114   9.061  -0.674
   93   1HB   PHE  12           HBS      PHE  12  18.802   9.201  -1.838
   94   2HB   PHE  12           HBR      PHE  12  17.825  10.653  -2.205
   95    HD1  PHE  12           HD2      PHE  12  16.733  11.883  -0.165
   96    HD2  PHE  12           HD1      PHE  12  19.680   8.828   0.205
   97    HE1  PHE  12           HE2      PHE  12  17.201  12.621   2.149
   98    HE2  PHE  12           HE1      PHE  12  20.158   9.537   2.504
   99    HZ   PHE  12           HZ       PHE  12  18.873  11.389   3.503
  100    H    ALA  13           HN       ALA  13  17.422   9.796  -3.872
  101    HA   ALA  13           HA       ALA  13  15.255  11.341  -4.380
  102   1HB   ALA  13           HMB      ALA  13  17.522  11.681  -5.261
  103   2HB   ALA  13           HMB      ALA  13  17.318  10.279  -6.342
  104   3HB   ALA  13           HMB      ALA  13  16.328  11.741  -6.583
  105    H    GLU  14           HN       GLU  14  15.321   8.049  -4.831
  106    HA   GLU  14           HA       GLU  14  13.112   8.113  -6.797
  107   1HB   GLU  14           HBS      GLU  14  14.522   5.881  -5.401
  108   2HB   GLU  14           HBR      GLU  14  13.433   5.650  -6.656
  109   1HG   GLU  14           HGS      GLU  14  16.240   6.710  -6.635
  110   2HG   GLU  14           HGR      GLU  14  15.585   5.510  -7.782
  111    H    ARG  15           HN       ARG  15  13.051   8.946  -3.801
  112    HA   ARG  15           HA       ARG  15  11.708   6.721  -2.491
  113   1HB   ARG  15           HBR      ARG  15  11.781   8.013  -0.491
  114   2HB   ARG  15           HBS      ARG  15  13.356   8.180  -1.318
  115   1HG   ARG  15           HGR      ARG  15  12.615  10.404  -2.166
  116   2HG   ARG  15           HGS      ARG  15  11.120  10.233  -1.203
  117   1HD   ARG  15           HDS      ARG  15  13.352   9.658   0.465
  118   2HD   ARG  15           HDR      ARG  15  13.664  11.189  -0.402
  119    HE   ARG  15           HE       ARG  15  11.310  11.813   0.446
  120   1HH1  ARG  15           HH1      ARG  15  13.755   9.992   2.217
  121   2HH1  ARG  15           HH1      ARG  15  13.037  10.318   3.759
  122   1HH2  ARG  15           HH2      ARG  15  10.326  12.107   2.468
  123   2HH2  ARG  15           HH2      ARG  15  11.100  11.521   3.904
  124    H    VAL  16           HN       VAL  16   9.673   6.718  -1.571
  125    HA   VAL  16           HA       VAL  16   8.128   9.152  -1.582
  126    HB   VAL  16           HB       VAL  16   6.118   8.332  -2.566
  127   1HG1  VAL  16           HMG      VAL  16   7.763   9.383  -4.073
  128   2HG1  VAL  16           HMG      VAL  16   8.388   7.770  -4.491
  129   3HG1  VAL  16           HMG      VAL  16   6.714   8.210  -4.905
  130   1HG2  VAL  16           HMG      VAL  16   7.588   5.724  -2.952
  131   2HG2  VAL  16           HMG      VAL  16   6.082   6.030  -2.053
  132   3HG2  VAL  16           HMG      VAL  16   6.097   6.146  -3.829
  133    H    THR  17           HN       THR  17   7.287   9.377   0.338
  134    HA   THR  17           HA       THR  17   7.873   7.156   2.178
  135    HB   THR  17           HB       THR  17   7.459  10.159   2.684
  136    HG1  THR  17           HG1      THR  17   9.562   8.439   2.747
  137   1HG2  THR  17           HMG      THR  17   8.242   7.950   4.594
  138   2HG2  THR  17           HMG      THR  17   8.560   9.678   4.899
  139   3HG2  THR  17           HMG      THR  17   6.885   9.099   4.717
  140    H    SER  18           HN       SER  18   6.489   6.328   3.645
  141    HA   SER  18           HA       SER  18   3.792   7.069   4.076
  142   1HB   SER  18           HBR      SER  18   3.619   6.720   1.625
  143   2HB   SER  18           HBS      SER  18   4.117   5.022   1.870
  144    HG   SER  18           HG       SER  18   1.694   6.303   2.133
  145    H    LEU  19           HN       LEU  19   2.867   5.789   5.556
  146    HA   LEU  19           HA       LEU  19   2.846   4.380   7.350
  147   1HB   LEU  19           HBR      LEU  19   4.239   2.573   5.352
  148   2HB   LEU  19           HBS      LEU  19   3.594   2.053   6.935
  149    HG   LEU  19           HG       LEU  19   2.042   1.368   5.289
  150   1HD1  LEU  19           HMD      LEU  19   1.221   3.863   6.773
  151   2HD1  LEU  19           HMD      LEU  19   0.074   2.975   5.737
  152   3HD1  LEU  19           HMD      LEU  19   0.831   2.162   7.130
  153   1HD2  LEU  19           HMD      LEU  19   3.066   3.263   3.724
  154   2HD2  LEU  19           HMD      LEU  19   1.449   2.572   3.434
  155   3HD2  LEU  19           HMD      LEU  19   1.612   4.141   4.261
  156    H    GLY  20           HN       GLY  20   5.178   6.202   6.636
  157   1HA   GLY  20           HAR      GLY  20   6.673   7.041   8.219
  158   2HA   GLY  20           HAS      GLY  20   6.602   5.489   9.093
  159    H    LYS  21           HN       LYS  21   7.051   4.308   6.195
  160    HA   LYS  21           HA       LYS  21  10.005   4.529   6.288
  161   1HB   LYS  21           HBR      LYS  21   8.565   1.884   5.945
  162   2HB   LYS  21           HBS      LYS  21  10.326   2.179   6.020
  163   1HG   LYS  21           HGS      LYS  21   8.709   3.037   8.380
  164   2HG   LYS  21           HGR      LYS  21   8.890   1.279   8.116
  165   1HD   LYS  21           HDR      LYS  21  11.088   3.335   8.366
  166   2HD   LYS  21           HDS      LYS  21  10.579   2.254   9.634
  167   1HE   LYS  21           HES      LYS  21  11.317   0.330   8.330
  168   2HE   LYS  21           HER      LYS  21  11.710   1.412   6.963
  169   1HZ   LYS  21           HZA      LYS  21  13.255   2.521   8.540
  170   2HZ   LYS  21           HZB      LYS  21  13.025   1.284   9.581
  171   3HZ   LYS  21           HZC      LYS  21  13.683   1.004   8.113
  172    H    ASP  22           HN       ASP  22  10.843   4.811   4.342
  173    HA   ASP  22           HA       ASP  22   9.040   5.811   2.458
  174   1HB   ASP  22           HBS      ASP  22  11.939   5.197   1.903
  175   2HB   ASP  22           HBR      ASP  22  10.893   6.397   1.098
  176    H    TRP  23           HN       TRP  23   9.203   5.331   0.056
  177    HA   TRP  23           HA       TRP  23   9.503   2.428  -0.517
  178   1HB   TRP  23           HBR      TRP  23   7.379   4.403  -1.369
  179   2HB   TRP  23           HBS      TRP  23   7.480   2.691  -1.894
  180    HD1  TRP  23           HD1      TRP  23   6.824   4.847   1.250
  181    HE1  TRP  23           HE1      TRP  23   5.226   3.559   2.803
  182    HE3  TRP  23           HE3      TRP  23   6.768   0.420  -1.249
  183    HZ2  TRP  23           HZ2      TRP  23   4.161   0.968   2.955
  184    HZ3  TRP  23           HZ3      TRP  23   5.601  -1.482  -0.233
  185    HH2  TRP  23           HH2      TRP  23   4.225  -1.194   1.764
  186    H    HIS  24           HN       ZHI  24   9.301   2.145  -3.031
  187    HA   HIS  24           HA       ZHI  24  10.857   4.201  -4.446
  188   1HB   HIS  24           HBS      ZHI  24   9.775   1.547  -5.490
  189   2HB   HIS  24           HBR      ZHI  24  10.870   2.667  -6.353
  190    HD2  HIS  24           HD2      ZHI  24  13.147   3.229  -4.291
  191    HE1  HIS  24           HE1      ZHI  24  12.996  -0.683  -2.830
  192    HE2  HIS  24           HE2      ZHI  24  14.490   1.315  -3.182
  193    H    ARG  25           HN       ARG  25  10.176   5.247  -6.306
  194    HA   ARG  25           HA       ARG  25   7.474   6.141  -6.314
  195   1HB   ARG  25           HBR      ARG  25   9.920   6.831  -7.626
  196   2HB   ARG  25           HBS      ARG  25   8.661   6.598  -8.872
  197   1HG   ARG  25           HGR      ARG  25   7.669   8.531  -8.363
  198   2HG   ARG  25           HGS      ARG  25   7.694   8.172  -6.612
  199   1HD   ARG  25           HDR      ARG  25   8.968  10.213  -7.393
  200   2HD   ARG  25           HDS      ARG  25   9.839   9.054  -6.350
  201    HE   ARG  25           HE       ARG  25  10.651   8.161  -8.688
  202   1HH1  ARG  25           HH1      ARG  25  10.409  11.477  -7.518
  203   2HH1  ARG  25           HH1      ARG  25  11.541  12.085  -8.679
  204   1HH2  ARG  25           HH2      ARG  25  12.027   9.015 -10.273
  205   2HH2  ARG  25           HH2      ARG  25  12.460  10.691 -10.237
  206    HA   PRO  26           HA       PRO  26   7.071   3.556 -10.402
  207   1HB   PRO  26           HBR      PRO  26   9.089   1.652 -10.415
  208   2HB   PRO  26           HBS      PRO  26   8.740   2.754 -11.581
  209   1HG   PRO  26           HGS      PRO  26  10.896   2.798 -10.023
  210   2HG   PRO  26           HGR      PRO  26  10.363   4.072 -10.958
  211   1HD   PRO  26           HDS      PRO  26  10.168   3.743  -8.175
  212   2HD   PRO  26           HDR      PRO  26  10.047   5.138  -9.057
  213    H    CYS  27           HN       CYS  27   7.971   2.359  -7.391
  214    HA   CYS  27           HA       CYS  27   6.440  -0.064  -7.595
  215   1HB   CYS  27           HBS      CYS  27   7.915   1.397  -5.459
  216   2HB   CYS  27           HBR      CYS  27   6.657   0.230  -4.960
  217    H    LEU  28           HN       LEU  28   5.891   3.065  -5.951
  218    HA   LEU  28           HA       LEU  28   3.533   2.143  -4.674
  219   1HB   LEU  28           HBR      LEU  28   5.297   3.947  -4.085
  220   2HB   LEU  28           HBS      LEU  28   4.274   5.038  -5.062
  221    HG   LEU  28           HG       LEU  28   2.387   4.114  -3.439
  222   1HD1  LEU  28           HMD      LEU  28   4.830   3.119  -2.284
  223   2HD1  LEU  28           HMD      LEU  28   4.107   4.338  -1.203
  224   3HD1  LEU  28           HMD      LEU  28   3.151   2.924  -1.717
  225   1HD2  LEU  28           HMD      LEU  28   3.913   6.419  -3.765
  226   2HD2  LEU  28           HMD      LEU  28   2.422   6.257  -2.802
  227   3HD2  LEU  28           HMD      LEU  28   4.014   6.076  -2.018
  228    H    LYS  29           HN       LYS  29   2.279   1.320  -6.413
  229    HA   LYS  29           HA       LYS  29   0.391   3.412  -7.268
  230   1HB   LYS  29           HBR      LYS  29  -0.010   2.344  -9.430
  231   2HB   LYS  29           HBS      LYS  29   1.649   2.994  -9.306
  232   1HG   LYS  29           HGR      LYS  29   2.534   0.748  -8.928
  233   2HG   LYS  29           HGS      LYS  29   0.880   0.070  -8.949
  234   1HD   LYS  29           HDR      LYS  29   2.379   1.336 -11.224
  235   2HD   LYS  29           HDS      LYS  29   1.983  -0.351 -11.045
  236   1HE   LYS  29           HER      LYS  29   0.326   0.250 -12.455
  237   2HE   LYS  29           HES      LYS  29  -0.497   0.651 -10.921
  238   1HZ   LYS  29           HZC      LYS  29   0.489   2.916 -11.253
  239   2HZ   LYS  29           HZA      LYS  29   0.836   2.473 -12.787
  240   3HZ   LYS  29           HZB      LYS  29  -0.714   2.502 -12.276
  241    H    CYS  30           HN       CYS  30  -1.693   2.363  -7.973
  242    HA   CYS  30           HA       CYS  30  -2.585   0.426  -6.060
  243   1HB   CYS  30           HBS      CYS  30  -3.865   2.268  -7.461
  244   2HB   CYS  30           HBR      CYS  30  -4.103   0.897  -8.583
  245    H    GLU  31           HN       GLU  31  -3.430  -1.662  -6.473
  246    HA   GLU  31           HA       GLU  31  -2.777  -2.857  -9.110
  247   1HB   GLU  31           HBS      GLU  31  -1.589  -3.504  -6.722
  248   2HB   GLU  31           HBR      GLU  31  -2.791  -4.673  -6.782
  249   1HG   GLU  31           HGR      GLU  31  -0.570  -5.443  -7.825
  250   2HG   GLU  31           HGS      GLU  31  -1.957  -5.482  -8.947
  251    H    LYS  32           HN       LYS  32  -5.091  -1.496  -7.846
  252    HA   LYS  32           HA       LYS  32  -7.007  -3.769  -7.559
  253   1HB   LYS  32           HBS      LYS  32  -6.382  -1.916  -5.620
  254   2HB   LYS  32           HBR      LYS  32  -7.813  -1.189  -6.405
  255   1HG   LYS  32           HGS      LYS  32  -8.590  -2.522  -4.567
  256   2HG   LYS  32           HGR      LYS  32  -9.003  -3.388  -6.075
  257   1HD   LYS  32           HDR      LYS  32  -8.119  -5.142  -5.066
  258   2HD   LYS  32           HDS      LYS  32  -6.582  -4.461  -5.527
  259   1HE   LYS  32           HER      LYS  32  -6.499  -3.307  -3.319
  260   2HE   LYS  32           HES      LYS  32  -7.995  -4.174  -2.868
  261   1HZ   LYS  32           HZB      LYS  32  -6.052  -5.938  -3.877
  262   2HZ   LYS  32           HZC      LYS  32  -5.439  -5.085  -2.628
  263   3HZ   LYS  32           HZA      LYS  32  -6.806  -5.953  -2.429
  264    H    CYS  33           HN       CYS  33  -6.620  -0.341  -8.510
  265    HA   CYS  33           HA       CYS  33  -8.727  -0.799 -10.552
  266   1HB   CYS  33           HBS      CYS  33  -8.878   1.630 -10.724
  267   2HB   CYS  33           HBR      CYS  33  -9.238   1.009  -9.090
  268    H    GLY  34           HN       GLY  34  -5.486   0.656 -10.127
  269   1HA   GLY  34           HAR      GLY  34  -3.755  -0.123 -11.640
  270   2HA   GLY  34           HAS      GLY  34  -4.933  -0.035 -12.977
  271    H    LYS  35           HN       LYS  35  -3.923   2.199 -10.353
  272    HA   LYS  35           HA       LYS  35  -2.954   4.143 -12.383
  273   1HB   LYS  35           HBR      LYS  35  -4.993   4.691 -10.200
  274   2HB   LYS  35           HBS      LYS  35  -4.170   5.932 -11.186
  275   1HG   LYS  35           HGS      LYS  35  -5.193   4.355 -13.150
  276   2HG   LYS  35           HGR      LYS  35  -6.421   4.116 -11.874
  277   1HD   LYS  35           HDR      LYS  35  -7.286   5.908 -12.928
  278   2HD   LYS  35           HDS      LYS  35  -6.332   6.725 -11.720
  279   1HE   LYS  35           HES      LYS  35  -5.869   7.886 -13.684
  280   2HE   LYS  35           HER      LYS  35  -4.480   6.776 -13.507
  281   1HZ   LYS  35           HZC      LYS  35  -5.693   5.268 -15.003
  282   2HZ   LYS  35           HZA      LYS  35  -6.807   6.434 -15.266
  283   3HZ   LYS  35           HZB      LYS  35  -5.255   6.672 -15.714
  284    H    THR  36           HN       THR  36  -1.818   5.965 -11.375
  285    HA   THR  36           HA       THR  36  -0.126   5.022  -9.198
  286    HB   THR  36           HB       THR  36   0.074   7.671 -10.732
  287    HG1  THR  36           HG1      THR  36   1.348   6.689 -11.962
  288   1HG2  THR  36           HMG      THR  36   2.101   6.044  -9.182
  289   2HG2  THR  36           HMG      THR  36   2.523   7.381 -10.280
  290   3HG2  THR  36           HMG      THR  36   1.527   7.695  -8.836
  291    H    LEU  37           HN       LEU  37   0.599   6.647  -7.545
  292    HA   LEU  37           HA       LEU  37  -1.816   7.923  -6.357
  293   1HB   LEU  37           HBR      LEU  37   0.199   6.308  -4.812
  294   2HB   LEU  37           HBS      LEU  37  -1.492   6.714  -4.403
  295    HG   LEU  37           HG       LEU  37  -0.835   4.879  -6.699
  296   1HD1  LEU  37           HMD      LEU  37  -0.116   4.373  -4.037
  297   2HD1  LEU  37           HMD      LEU  37  -1.663   3.522  -4.270
  298   3HD1  LEU  37           HMD      LEU  37  -0.289   3.184  -5.352
  299   1HD2  LEU  37           HMD      LEU  37  -3.132   6.073  -5.785
  300   2HD2  LEU  37           HMD      LEU  37  -3.064   4.572  -6.742
  301   3HD2  LEU  37           HMD      LEU  37  -3.184   4.492  -4.966
  302    H    THR  38           HN       THR  38  -1.552   9.772  -5.283
  303    HA   THR  38           HA       THR  38   0.947  10.611  -4.245
  304    HB   THR  38           HB       THR  38   0.095  12.675  -6.272
  305    HG1  THR  38           HG1      THR  38   0.113  11.404  -7.558
  306   1HG2  THR  38           HMG      THR  38   2.200  12.453  -4.515
  307   2HG2  THR  38           HMG      THR  38   2.932  11.973  -6.068
  308   3HG2  THR  38           HMG      THR  38   2.118  13.552  -5.916
  309    H    SER  39           HN       SER  39   0.585  13.267  -3.912
  310    HA   SER  39           HA       SER  39  -0.407  14.676  -2.412
  311   1HB   SER  39           HBS      SER  39  -3.049  13.407  -2.273
  312   2HB   SER  39           HBR      SER  39  -2.593  15.114  -2.551
  313    HG   SER  39           HG       SER  39  -2.636  14.940  -4.609
  314    H    GLY  40           HN       GLY  40   0.645  11.831  -2.044
  315   1HA   GLY  40           HAR      GLY  40   0.811  10.145  -0.486
  316   2HA   GLY  40           HAS      GLY  40   0.166  11.279   0.731
  317    H    GLY  41           HN       GLY  41  -1.169   9.948  -2.314
  318   1HA   GLY  41           HAR      GLY  41  -3.808   9.929  -1.024
  319   2HA   GLY  41           HAS      GLY  41  -3.465   9.840  -2.770
  320    H    HIS  42           HN       HIS  42  -1.417   7.671  -1.306
  321    HA   HIS  42           HA       HIS  42  -3.193   5.466  -1.959
  322   1HB   HIS  42           HBS      HIS  42  -1.179   4.090  -2.009
  323   2HB   HIS  42           HBR      HIS  42  -0.937   5.586  -2.956
  324    HD1  HIS  42           HD1      HIS  42   0.893   3.545  -0.666
  325    HD2  HIS  42           HD2      HIS  42   0.380   7.643  -1.190
  326    HE1  HIS  42           HE1      HIS  42   2.898   4.644   0.358
  327    HE2  HIS  42           HE2      HIS  42   2.601   7.125   0.029
  328    H    ALA  43           HN       ALA  43  -2.139   3.359  -0.638
  329    HA   ALA  43           HA       ALA  43  -1.724   3.614   2.121
  330   1HB   ALA  43           HMB      ALA  43  -4.615   3.097   1.377
  331   2HB   ALA  43           HMB      ALA  43  -3.905   2.814   2.988
  332   3HB   ALA  43           HMB      ALA  43  -3.965   4.465   2.317
  333    H    GLU  44           HN       GLU  44  -1.791   1.540   3.223
  334    HA   GLU  44           HA       GLU  44  -0.965  -0.505   1.236
  335   1HB   GLU  44           HBR      GLU  44   0.626  -1.127   2.883
  336   2HB   GLU  44           HBS      GLU  44   0.671   0.527   2.595
  337   1HG   GLU  44           HGS      GLU  44   0.233   1.162   4.648
  338   2HG   GLU  44           HGR      GLU  44  -1.133   0.033   4.859
  339    H    HIS  45           HN       HIS  45  -1.575  -2.597   1.373
  340    HA   HIS  45           HA       HIS  45  -3.465  -3.385   3.525
  341   1HB   HIS  45           HBS      HIS  45  -4.274  -3.927   1.228
  342   2HB   HIS  45           HBR      HIS  45  -2.802  -4.904   0.959
  343    HD1  HIS  45           HD1      HIS  45  -6.097  -4.969   2.850
  344    HD2  HIS  45           HD2      HIS  45  -2.828  -7.403   1.995
  345    HE1  HIS  45           HE1      HIS  45  -6.734  -7.285   3.566
  346    HE2  HIS  45           HE2      HIS  45  -4.764  -8.766   3.040
  347    H    GLU  46           HN       GLU  46  -0.901  -2.789   4.214
  348    HA   GLU  46           HA       GLU  46   1.075  -3.544   5.097
  349   1HB   GLU  46           HBR      GLU  46  -0.978  -5.335   5.787
  350   2HB   GLU  46           HBS      GLU  46   0.240  -6.313   5.176
  351   1HG   GLU  46           HGS      GLU  46   0.434  -4.506   7.545
  352   2HG   GLU  46           HGR      GLU  46   0.783  -6.257   7.512
  353    H    GLY  47           HN       GLY  47   2.429  -3.285   3.407
  354   1HA   GLY  47           HAR      GLY  47   4.207  -4.054   2.159
  355   2HA   GLY  47           HAS      GLY  47   3.698  -5.714   2.564
  356    H    LYS  48           HN       LYS  48   1.626  -3.309   1.011
  357    HA   LYS  48           HA       LYS  48   2.320  -3.764  -1.697
  358   1HB   LYS  48           HBS      LYS  48   0.358  -5.673  -0.521
  359   2HB   LYS  48           HBR      LYS  48  -0.094  -4.902  -2.069
  360   1HG   LYS  48           HGR      LYS  48   1.252  -6.274  -3.209
  361   2HG   LYS  48           HGS      LYS  48   2.647  -5.846  -2.176
  362   1HD   LYS  48           HDR      LYS  48   1.903  -7.460  -0.509
  363   2HD   LYS  48           HDS      LYS  48   0.561  -7.929  -1.515
  364   1HE   LYS  48           HER      LYS  48   2.460  -8.364  -3.287
  365   2HE   LYS  48           HES      LYS  48   3.484  -8.466  -1.828
  366   1HZ   LYS  48           HZC      LYS  48   1.982 -10.142  -0.995
  367   2HZ   LYS  48           HZA      LYS  48   1.061 -10.054  -2.340
  368   3HZ   LYS  48           HZB      LYS  48   2.597 -10.598  -2.437
  369    HA   PRO  49           HA       PRO  49  -0.029  -0.091  -0.835
  370   1HB   PRO  49           HBR      PRO  49   1.002   1.320  -2.859
  371   2HB   PRO  49           HBS      PRO  49   1.621   1.283  -1.338
  372   1HG   PRO  49           HGS      PRO  49   2.604   0.046  -3.642
  373   2HG   PRO  49           HGR      PRO  49   3.424   0.439  -2.242
  374   1HD   PRO  49           HDS      PRO  49   2.629  -2.032  -2.926
  375   2HD   PRO  49           HDR      PRO  49   3.121  -1.572  -1.416
  376    H    TYR  50           HN       TYR  50  -1.820   0.966  -1.498
  377    HA   TYR  50           HA       TYR  50  -2.584   0.653  -4.278
  378   1HB   TYR  50           HBR      TYR  50  -4.555  -0.221  -2.132
  379   2HB   TYR  50           HBS      TYR  50  -4.849  -0.124  -3.890
  380    HD1  TYR  50           HD1      TYR  50  -2.625  -1.863  -1.403
  381    HD2  TYR  50           HD2      TYR  50  -4.655  -2.057  -5.135
  382    HE1  TYR  50           HE1      TYR  50  -2.045  -4.245  -1.587
  383    HE2  TYR  50           HE2      TYR  50  -4.097  -4.440  -5.325
  384    HH   TYR  50           HH       TYR  50  -3.639  -6.314  -3.063
  385    H    CYS  51           HN       CYS  51  -5.009   1.804  -4.289
  386    HA   CYS  51           HA       CYS  51  -4.886   4.447  -3.476
  387   1HB   CYS  51           HBS      CYS  51  -7.285   2.637  -3.797
  388   2HB   CYS  51           HBR      CYS  51  -7.399   4.393  -3.486
  389    H    ASN  52           HN       ASN  52  -6.618   5.417  -1.915
  390    HA   ASN  52           HA       ASN  52  -6.627   3.908   0.639
  391   1HB   ASN  52           HBS      ASN  52  -5.707   6.392   0.422
  392   2HB   ASN  52           HBR      ASN  52  -7.443   6.757   0.640
  393   1HD2  ASN  52           HD2      ASN  52  -5.331   6.295   3.877
  394   2HD2  ASN  52           HD2      ASN  52  -4.833   6.934   2.345
  395    H    HIS  53           HN       HIS  53  -8.482   5.427  -1.900
  396    HA   HIS  53           HA       HIS  53 -10.577   3.489  -1.475
  397   1HB   HIS  53           HBS      HIS  53 -11.144   6.404  -0.848
  398   2HB   HIS  53           HBR      HIS  53 -12.401   5.336  -1.533
  399    HD1  HIS  53           HD1      HIS  53 -13.368   3.471   0.051
  400    HD2  HIS  53           HD2      HIS  53 -10.493   5.928   1.795
  401    HE1  HIS  53           HE1      HIS  53 -13.577   3.155   2.528
  402    HE2  HIS  53           HE2      HIS  53 -11.848   4.650   3.589
  403    HA   PRO  54           HA       PRO  54 -12.713   3.636  -2.054
  404   1HB   PRO  54           HBS      PRO  54 -14.070   2.202  -3.854
  405   2HB   PRO  54           HBR      PRO  54 -14.551   3.662  -3.274
  406   1HG   PRO  54           HGR      PRO  54 -13.605   3.041  -5.810
  407   2HG   PRO  54           HGS      PRO  54 -14.325   4.451  -5.289
  408   1HD   PRO  54           HDS      PRO  54 -11.651   4.023  -5.754
  409   2HD   PRO  54           HDR      PRO  54 -12.369   5.425  -5.242
  410    H    CYS  55           HN       CYS  55 -10.313   2.488  -3.912
  411    HA   CYS  55           HA       CYS  55 -10.882  -0.207  -4.141
  412   1HB   CYS  55           HBS      CYS  55  -8.140   1.057  -3.907
  413   2HB   CYS  55           HBR      CYS  55  -8.516  -0.554  -4.583
  414    H    TYR  56           HN       TYR  56  -8.926   1.379  -1.606
  415    HA   TYR  56           HA       TYR  56  -7.961  -1.006  -0.459
  416   1HB   TYR  56           HBR      TYR  56  -6.892   1.146  -0.084
  417   2HB   TYR  56           HBS      TYR  56  -8.332   1.741   0.791
  418    HD1  TYR  56           HD2      TYR  56  -6.627  -1.565   1.075
  419    HD2  TYR  56           HD1      TYR  56  -7.475   2.144   2.976
  420    HE1  TYR  56           HE2      TYR  56  -5.731  -2.449   3.181
  421    HE2  TYR  56           HE1      TYR  56  -6.552   1.282   5.083
  422    HH   TYR  56           HH       TYR  56  -6.501  -1.778   5.800
  423    H    SER  57           HN       SER  57 -10.846   0.931   0.237
  424    HA   SER  57           HA       SER  57 -11.731  -1.171   2.129
  425   1HB   SER  57           HBS      SER  57 -13.150   1.441   1.786
  426   2HB   SER  57           HBR      SER  57 -12.980   0.403   3.230
  427    HG   SER  57           HG       SER  57 -10.885   1.886   1.853
  428    H    ALA  58           HN       ALA  58 -11.809  -1.214  -0.899
  429    HA   ALA  58           HA       ALA  58 -14.689  -1.395  -1.388
  430   1HB   ALA  58           HMB      ALA  58 -12.185  -1.595  -3.025
  431   2HB   ALA  58           HMB      ALA  58 -13.711  -2.267  -3.653
  432   3HB   ALA  58           HMB      ALA  58 -13.607  -0.541  -3.224
  433    H    MET  59           HN       MET  59 -11.949  -3.650  -1.915
  434    HA   MET  59           HA       MET  59 -13.920  -5.858  -1.797
  435   1HB   MET  59           HBR      MET  59 -11.475  -5.307  -3.413
  436   2HB   MET  59           HBS      MET  59 -11.838  -7.006  -2.996
  437   1HG   MET  59           HGS      MET  59 -14.077  -6.800  -3.983
  438   2HG   MET  59           HGR      MET  59 -13.795  -5.070  -4.296
  439   1HE   MET  59           HME      MET  59 -14.767  -6.711  -6.354
  440   2HE   MET  59           HME      MET  59 -13.970  -5.422  -7.288
  441   3HE   MET  59           HME      MET  59 -13.691  -7.130  -7.710
  442    H    PHE  60           HN       PHE  60 -10.998  -4.610  -0.373
  443    HA   PHE  60           HA       PHE  60 -10.043  -7.107   0.644
  444   1HB   PHE  60           HBR      PHE  60  -9.133  -4.330   0.688
  445   2HB   PHE  60           HBS      PHE  60  -8.919  -5.117   2.278
  446    HD1  PHE  60           HD2      PHE  60  -8.394  -7.977   1.248
  447    HD2  PHE  60           HD1      PHE  60  -6.926  -4.144   0.105
  448    HE1  PHE  60           HE2      PHE  60  -6.345  -9.036   0.354
  449    HE2  PHE  60           HE1      PHE  60  -4.880  -5.169  -0.780
  450    HZ   PHE  60           HZ       PHE  60  -4.609  -7.619  -0.705
  451    H    GLY  61           HN       GLY  61 -11.573  -8.140   1.823
  452   1HA   GLY  61           HAR      GLY  61 -12.011  -7.587   4.556
  453   2HA   GLY  61           HAS      GLY  61 -13.388  -6.910   3.641
  454    HA   PRO  62           HA       PRO  62 -12.954 -11.617   2.566
  455   1HB   PRO  62           HBS      PRO  62 -11.744 -13.022   4.550
  456   2HB   PRO  62           HBR      PRO  62 -11.129 -12.746   3.053
  457   1HG   PRO  62           HGS      PRO  62 -10.439 -11.556   5.478
  458   2HG   PRO  62           HGR      PRO  62  -9.567 -11.578   4.055
  459   1HD   PRO  62           HDS      PRO  62 -10.848  -9.441   5.009
  460   2HD   PRO  62           HDR      PRO  62 -10.368  -9.625   3.437
  461    H    LYS  63           HN       LYS  63 -13.126 -11.258   6.024
  462    HA   LYS  63           HA       LYS  63 -14.734 -11.882   7.541
  463   1HB   LYS  63           HBS      LYS  63 -16.286 -11.232   5.229
  464   2HB   LYS  63           HBR      LYS  63 -16.914 -12.754   5.922
  465   1HG   LYS  63           HGR      LYS  63 -16.523 -10.131   7.418
  466   2HG   LYS  63           HGS      LYS  63 -18.081 -10.794   6.844
  467   1HD   LYS  63           HDS      LYS  63 -18.291 -12.161   8.566
  468   2HD   LYS  63           HDR      LYS  63 -16.652 -12.729   8.418
  469   1HE   LYS  63           HES      LYS  63 -16.730 -11.792  10.542
  470   2HE   LYS  63           HER      LYS  63 -15.922 -10.569   9.522
  471   1HZ   LYS  63           HZB      LYS  63 -18.145  -9.540   9.302
  472   2HZ   LYS  63           HZC      LYS  63 -18.708 -10.559  10.447
  473   3HZ   LYS  63           HZA      LYS  63 -17.533  -9.487  10.815
  474    H    GLY  64           HN       GLY  64 -15.813 -13.852   4.774
  475   1HA   GLY  64           HAR      GLY  64 -14.194 -16.127   5.621
  476   2HA   GLY  64           HAS      GLY  64 -15.951 -16.390   5.788
  477    H    PHE  65           HN       PHE  65 -14.179 -17.792   4.033
  478    HA   PHE  65           HA       PHE  65 -15.638 -17.206   1.519
  479   1HB   PHE  65           HBS      PHE  65 -13.784 -18.119   0.171
  480   2HB   PHE  65           HBR      PHE  65 -13.319 -16.615   1.017
  481    HD1  PHE  65           HD2      PHE  65 -12.264 -17.216   3.541
  482    HD2  PHE  65           HD1      PHE  65 -12.299 -19.745   0.111
  483    HE1  PHE  65           HE2      PHE  65 -10.294 -18.426   4.420
  484    HE2  PHE  65           HE1      PHE  65 -10.343 -20.959   0.960
  485    HZ   PHE  65           HZ       PHE  65  -9.301 -20.263   3.085
  486    H    GLY  66           HN       GLY  66 -15.208 -19.349   0.081
  487   1HA   GLY  66           HAS      GLY  66 -15.982 -21.678   1.777
  488   2HA   GLY  66           HAR      GLY  66 -17.076 -21.061   0.510
  489    H    ARG  67           HN       ARG  67 -14.584 -23.200   1.228
  490    HA   ARG  67           HA       ARG  67 -14.750 -24.290  -1.418
  491   1HB   ARG  67           HBS      ARG  67 -12.407 -24.321  -2.003
  492   2HB   ARG  67           HBR      ARG  67 -12.991 -22.637  -1.867
  493   1HG   ARG  67           HGS      ARG  67 -11.942 -22.483   0.369
  494   2HG   ARG  67           HGR      ARG  67 -11.307 -24.140   0.165
  495   1HD   ARG  67           HDS      ARG  67 -10.666 -22.584  -2.142
  496   2HD   ARG  67           HDR      ARG  67 -10.173 -21.697  -0.671
  497    HE   ARG  67           HE       ARG  67  -8.553 -23.304  -0.277
  498   1HH1  ARG  67           HH1      ARG  67 -10.593 -24.302  -2.973
  499   2HH1  ARG  67           HH1      ARG  67  -9.668 -25.732  -3.286
  500   1HH2  ARG  67           HH2      ARG  67  -7.445 -25.249  -0.634
  501   2HH2  ARG  67           HH2      ARG  67  -7.885 -26.267  -1.964
  502    H    GLY  68           HN       GLY  68 -15.222 -24.870   1.442
  503   1HA   GLY  68           HAR      GLY  68 -14.933 -27.597   1.582
  504   2HA   GLY  68           HAS      GLY  68 -13.339 -26.987   2.104
  505    H    GLY  69           HN       GLY  69 -16.591 -25.586   2.569
  506   1HA   GLY  69           HAR      GLY  69 -16.360 -26.123   5.501
  507   2HA   GLY  69           HAS      GLY  69 -17.081 -24.621   4.862
  508    H    ALA  70           HN       ALA  70 -17.397 -28.144   5.035
  509    HA   ALA  70           HA       ALA  70 -20.280 -27.800   5.305
  510   1HB   ALA  70           HMB      ALA  70 -19.046 -29.316   3.022
  511   2HB   ALA  70           HMB      ALA  70 -20.589 -29.846   3.737
  512   3HB   ALA  70           HMB      ALA  70 -20.446 -28.212   3.040
  513    H    GLU  71           HN       GLU  71 -17.729 -28.603   6.744
  514    HA   GLU  71           HA       GLU  71 -17.520 -31.370   7.024
  515   1HB   GLU  71           HBS      GLU  71 -16.044 -29.477   7.682
  516   2HB   GLU  71           HBR      GLU  71 -16.959 -29.205   9.062
  517   1HG   GLU  71           HGR      GLU  71 -16.126 -31.235  10.123
  518   2HG   GLU  71           HGS      GLU  71 -15.943 -31.977   8.511
  519    H    SER  72           HN       SER  72 -19.082 -29.088   9.320
  520    HA   SER  72           HA       SER  72 -21.332 -30.943   9.631
  521   1HB   SER  72           HBS      SER  72 -19.276 -31.250  11.385
  522   2HB   SER  72           HBR      SER  72 -20.286 -30.045  12.237
  523    HG   SER  72           HG       SER  72 -20.521 -32.603  12.311
  524    H    HIS  73           HN       HIS  73 -19.725 -27.905  10.517
  525    HA   HIS  73           HA       HIS  73 -20.521 -25.811  10.968
  526   1HB   HIS  73           HBR      HIS  73 -23.066 -26.900   9.721
  527   2HB   HIS  73           HBS      HIS  73 -22.999 -25.294  10.502
  528    HD1  HIS  73           HD1      HIS  73 -21.748 -27.167   7.442
  529    HD2  HIS  73           HD2      HIS  73 -21.602 -23.352   9.109
  530    HE1  HIS  73           HE1      HIS  73 -20.982 -25.627   5.618
  531    HE2  HIS  73           HE2      HIS  73 -20.913 -23.315   6.614
  532    H    THR  74           HN       THR  74 -20.617 -28.209  12.742
  533    HA   THR  74           HA       THR  74 -22.723 -27.862  14.661
  534    HB   THR  74           HB       THR  74 -20.966 -28.887  16.268
  535    HG1  THR  74           HG1      THR  74 -19.349 -29.712  15.374
  536   1HG2  THR  74           HMG      THR  74 -22.357 -30.141  14.065
  537   2HG2  THR  74           HMG      THR  74 -20.839 -31.000  14.433
  538   3HG2  THR  74           HMG      THR  74 -22.052 -30.744  15.714
  539    H    PHE  75           HN       PHE  75 -19.353 -27.200  15.475
  540    HA   PHE  75           HA       PHE  75 -20.322 -24.838  16.966
  541   1HB   PHE  75           HBR      PHE  75 -19.080 -26.881  18.068
  542   2HB   PHE  75           HBS      PHE  75 -17.612 -26.086  17.429
  543    HD1  PHE  75           HD2      PHE  75 -17.009 -23.763  18.297
  544    HD2  PHE  75           HD1      PHE  75 -20.335 -25.975  19.782
  545    HE1  PHE  75           HE2      PHE  75 -17.082 -22.304  20.292
  546    HE2  PHE  75           HE1      PHE  75 -20.426 -24.543  21.772
  547    HZ   PHE  75           HZ       PHE  75 -18.763 -22.745  22.060
  548    H    LYS  76           HN       LYS  76 -17.148 -25.785  15.607
  549    HA   LYS  76           HA       LYS  76 -16.968 -23.100  14.355
  550   1HB   LYS  76           HBS      LYS  76 -15.110 -24.283  16.357
  551   2HB   LYS  76           HBR      LYS  76 -14.371 -23.532  14.912
  552   1HG   LYS  76           HGR      LYS  76 -16.477 -21.873  16.113
  553   2HG   LYS  76           HGS      LYS  76 -15.137 -22.221  17.242
  554   1HD   LYS  76           HDS      LYS  76 -14.195 -20.437  16.313
  555   2HD   LYS  76           HDR      LYS  76 -13.685 -21.608  15.130
  556   1HE   LYS  76           HES      LYS  76 -16.050 -20.946  14.046
  557   2HE   LYS  76           HER      LYS  76 -15.644 -19.427  14.896
  558   1HZ   LYS  76           HZB      LYS  76 -13.406 -19.735  13.774
  559   2HZ   LYS  76           HZC      LYS  76 -14.165 -20.776  12.770
  560   3HZ   LYS  76           HZA      LYS  76 -14.654 -19.219  12.853
   
  No H/Q in entry =         560
  Start of MODEL   48
    1    H    PRO   1           HN       PRO   1  14.304   2.177   6.167
    2    HA   PRO   1           HA       PRO   1  12.500   3.290   5.286
    3   1HB   PRO   1           HBR      PRO   1  13.391   4.911   3.354
    4   2HB   PRO   1           HBS      PRO   1  12.987   5.400   4.869
    5   1HG   PRO   1           HGS      PRO   1  15.526   5.149   3.754
    6   2HG   PRO   1           HGR      PRO   1  15.067   6.017   5.103
    7   1HD   PRO   1           HDR      PRO   1  16.372   3.648   5.107
    8   2HD   PRO   1           HDS      PRO   1  15.711   4.395   6.427
    9    H    LYS   2           HN       LYS   2  13.724   0.857   4.662
   10    HA   LYS   2           HA       LYS   2  14.066   0.627   1.841
   11   1HB   LYS   2           HBR      LYS   2  14.114  -1.823   2.283
   12   2HB   LYS   2           HBS      LYS   2  15.251  -0.869   3.280
   13   1HG   LYS   2           HGR      LYS   2  14.331  -2.465   4.757
   14   2HG   LYS   2           HGS      LYS   2  13.456  -0.949   5.111
   15   1HD   LYS   2           HDR      LYS   2  12.107  -2.414   3.053
   16   2HD   LYS   2           HDS      LYS   2  12.395  -3.476   4.403
   17   1HE   LYS   2           HES      LYS   2  11.475  -0.903   5.341
   18   2HE   LYS   2           HER      LYS   2  10.385  -1.554   4.084
   19   1HZ   LYS   2           HZB      LYS   2  11.238  -3.418   6.096
   20   2HZ   LYS   2           HZC      LYS   2  10.252  -2.228   6.625
   21   3HZ   LYS   2           HZA      LYS   2   9.768  -3.212   5.416
   22    H    CYS   3           HN       CYS   3  12.891  -0.764   0.404
   23    HA   CYS   3           HA       CYS   3  10.252   0.189   0.357
   24   1HB   CYS   3           HBS      CYS   3  11.908  -0.155  -1.535
   25   2HB   CYS   3           HBR      CYS   3  11.408  -1.870  -1.517
   26    HA   PRO   4           HA       PRO   4   7.944  -3.348   1.778
   27   1HB   PRO   4           HBR      PRO   4   5.612  -2.032   1.162
   28   2HB   PRO   4           HBS      PRO   4   6.219  -2.318   2.661
   29   1HG   PRO   4           HGS      PRO   4   6.020   0.078   1.513
   30   2HG   PRO   4           HGR      PRO   4   6.926  -0.264   2.874
   31   1HD   PRO   4           HDS      PRO   4   7.804   0.099   0.212
   32   2HD   PRO   4           HDR      PRO   4   8.651   0.322   1.616
   33    H    LYS   5           HN       LYS   5   8.097  -1.943  -1.233
   34    HA   LYS   5           HA       LYS   5   6.115  -3.714  -2.432
   35   1HB   LYS   5           HBR      LYS   5   6.883  -1.158  -2.955
   36   2HB   LYS   5           HBS      LYS   5   7.833  -2.050  -4.176
   37   1HG   LYS   5           HGR      LYS   5   5.127  -3.057  -4.140
   38   2HG   LYS   5           HGS      LYS   5   5.099  -1.277  -4.292
   39   1HD   LYS   5           HDR      LYS   5   5.835  -1.295  -6.347
   40   2HD   LYS   5           HDS      LYS   5   7.125  -2.414  -6.002
   41   1HE   LYS   5           HER      LYS   5   6.026  -3.889  -7.234
   42   2HE   LYS   5           HES      LYS   5   4.815  -3.981  -5.925
   43   1HZ   LYS   5           HZB      LYS   5   4.596  -1.827  -7.851
   44   2HZ   LYS   5           HZC      LYS   5   4.159  -3.324  -8.334
   45   3HZ   LYS   5           HZA      LYS   5   3.422  -2.633  -7.051
   46    H    CYS   6           HN       CYS   6   9.473  -2.865  -3.365
   47    HA   CYS   6           HA       CYS   6   9.486  -5.301  -5.013
   48   1HB   CYS   6           HBS      CYS   6  11.466  -4.332  -6.076
   49   2HB   CYS   6           HBR      CYS   6  10.028  -3.275  -6.144
   50    H    ASP   7           HN       ASP   7  10.760  -4.138  -2.048
   51    HA   ASP   7           HA       ASP   7  12.294  -4.901  -0.567
   52   1HB   ASP   7           HBS      ASP   7  11.341  -7.193  -1.451
   53   2HB   ASP   7           HBR      ASP   7  12.991  -7.336  -2.120
   54    H    LYS   8           HN       LYS   8  13.027  -2.959  -2.128
   55    HA   LYS   8           HA       LYS   8  15.940  -3.570  -2.305
   56   1HB   LYS   8           HBS      LYS   8  14.493  -2.274  -4.265
   57   2HB   LYS   8           HBR      LYS   8  15.103  -0.922  -3.270
   58   1HG   LYS   8           HGS      LYS   8  16.584  -1.538  -5.198
   59   2HG   LYS   8           HGR      LYS   8  17.386  -1.617  -3.604
   60   1HD   LYS   8           HDS      LYS   8  17.103  -4.044  -3.593
   61   2HD   LYS   8           HDR      LYS   8  16.198  -3.967  -5.079
   62   1HE   LYS   8           HES      LYS   8  18.611  -4.684  -5.273
   63   2HE   LYS   8           HER      LYS   8  18.048  -3.389  -6.365
   64   1HZ   LYS   8           HZC      LYS   8  19.167  -2.540  -3.856
   65   2HZ   LYS   8           HZA      LYS   8  20.224  -3.209  -4.905
   66   3HZ   LYS   8           HZB      LYS   8  19.347  -1.906  -5.350
   67    H    GLU   9           HN       GLU   9  16.926  -1.092  -1.882
   68    HA   GLU   9           HA       GLU   9  15.532  -0.009   0.528
   69   1HB   GLU   9           HBR      GLU   9  18.316   0.810   0.040
   70   2HB   GLU   9           HBS      GLU   9  17.445   0.609   1.454
   71   1HG   GLU   9           HGR      GLU   9  17.570  -1.946   1.232
   72   2HG   GLU   9           HGS      GLU   9  18.685  -1.623  -0.123
   73    H    VAL  10           HN       VAL  10  15.410   2.271   0.621
   74    HA   VAL  10           HA       VAL  10  15.063   3.279  -2.144
   75    HB   VAL  10           HB       VAL  10  13.535   3.760   0.419
   76   1HG1  VAL  10           HMG      VAL  10  13.734   5.830  -1.071
   77   2HG1  VAL  10           HMG      VAL  10  12.739   4.935  -2.244
   78   3HG1  VAL  10           HMG      VAL  10  12.101   5.289  -0.621
   79   1HG2  VAL  10           HMG      VAL  10  13.336   1.698  -1.345
   80   2HG2  VAL  10           HMG      VAL  10  12.032   2.280  -0.285
   81   3HG2  VAL  10           HMG      VAL  10  12.109   2.836  -1.971
   82    H    TYR  11           HN       TYR  11  16.314   4.809  -2.829
   83    HA   TYR  11           HA       TYR  11  18.189   5.894  -0.843
   84   1HB   TYR  11           HBR      TYR  11  18.544   4.519  -3.200
   85   2HB   TYR  11           HBS      TYR  11  18.828   6.205  -3.713
   86    HD1  TYR  11           HD2      TYR  11  19.806   3.820  -0.994
   87    HD2  TYR  11           HD1      TYR  11  20.954   7.156  -3.370
   88    HE1  TYR  11           HE2      TYR  11  22.020   3.801   0.064
   89    HE2  TYR  11           HE1      TYR  11  23.183   7.132  -2.336
   90    HH   TYR  11           HH       TYR  11  23.703   5.799   0.605
   91    H    PHE  12           HN       PHE  12  15.896   7.300  -0.739
   92    HA   PHE  12           HA       PHE  12  15.539   9.519  -0.239
   93   1HB   PHE  12           HBS      PHE  12  18.098  10.127  -1.787
   94   2HB   PHE  12           HBR      PHE  12  17.085  11.318  -0.922
   95    HD1  PHE  12           HD2      PHE  12  18.229   7.868   0.161
   96    HD2  PHE  12           HD1      PHE  12  18.434  12.089   0.700
   97    HE1  PHE  12           HE2      PHE  12  19.420   7.532   2.304
   98    HE2  PHE  12           HE1      PHE  12  19.594  11.782   2.840
   99    HZ   PHE  12           HZ       PHE  12  20.040   9.504   3.671
  100    H    ALA  13           HN       ALA  13  17.149  10.123  -3.327
  101    HA   ALA  13           HA       ALA  13  15.088  11.753  -3.995
  102   1HB   ALA  13           HMB      ALA  13  17.634  10.835  -5.166
  103   2HB   ALA  13           HMB      ALA  13  16.495  11.517  -6.353
  104   3HB   ALA  13           HMB      ALA  13  17.011  12.490  -4.953
  105    H    GLU  14           HN       GLU  14  15.093   8.469  -4.504
  106    HA   GLU  14           HA       GLU  14  12.738   8.804  -6.318
  107   1HB   GLU  14           HBR      GLU  14  13.998   6.144  -5.882
  108   2HB   GLU  14           HBS      GLU  14  13.044   6.722  -7.134
  109   1HG   GLU  14           HGR      GLU  14  16.009   7.289  -6.805
  110   2HG   GLU  14           HGS      GLU  14  15.118   6.517  -8.145
  111    H    ARG  15           HN       ARG  15  12.877   9.342  -3.503
  112    HA   ARG  15           HA       ARG  15  11.542   7.105  -2.207
  113   1HB   ARG  15           HBR      ARG  15  11.380   8.463  -0.270
  114   2HB   ARG  15           HBS      ARG  15  12.999   8.720  -0.978
  115   1HG   ARG  15           HGR      ARG  15  11.933  10.822  -2.070
  116   2HG   ARG  15           HGS      ARG  15  10.650  10.606  -0.844
  117   1HD   ARG  15           HDS      ARG  15  13.586  11.127  -0.451
  118   2HD   ARG  15           HDR      ARG  15  12.187  12.088   0.106
  119    HE   ARG  15           HE       ARG  15  13.084   9.499   1.256
  120   1HH1  ARG  15           HH1      ARG  15  10.949  12.301   1.394
  121   2HH1  ARG  15           HH1      ARG  15  10.683  12.150   3.099
  122   1HH2  ARG  15           HH2      ARG  15  12.797   9.397   3.503
  123   2HH2  ARG  15           HH2      ARG  15  11.724  10.506   4.292
  124    H    VAL  16           HN       VAL  16   9.443   6.941  -1.568
  125    HA   VAL  16           HA       VAL  16   7.736   9.263  -1.747
  126    HB   VAL  16           HB       VAL  16   5.901   8.286  -2.917
  127   1HG1  VAL  16           HMG      VAL  16   7.754   9.415  -4.218
  128   2HG1  VAL  16           HMG      VAL  16   8.297   7.787  -4.688
  129   3HG1  VAL  16           HMG      VAL  16   6.672   8.349  -5.148
  130   1HG2  VAL  16           HMG      VAL  16   7.540   5.787  -2.878
  131   2HG2  VAL  16           HMG      VAL  16   5.806   6.033  -2.556
  132   3HG2  VAL  16           HMG      VAL  16   6.414   6.070  -4.228
  133    H    THR  17           HN       THR  17   6.693   9.429   0.074
  134    HA   THR  17           HA       THR  17   7.200   7.236   1.979
  135    HB   THR  17           HB       THR  17   6.569  10.189   2.541
  136    HG1  THR  17           HG1      THR  17   8.560  10.370   2.834
  137   1HG2  THR  17           HMG      THR  17   6.847   7.920   4.287
  138   2HG2  THR  17           HMG      THR  17   8.174   9.075   4.571
  139   3HG2  THR  17           HMG      THR  17   6.481   9.618   4.684
  140    H    SER  18           HN       SER  18   5.708   6.319   3.245
  141    HA   SER  18           HA       SER  18   2.935   7.014   3.412
  142   1HB   SER  18           HBR      SER  18   3.080   6.622   0.969
  143   2HB   SER  18           HBS      SER  18   3.634   4.955   1.303
  144    HG   SER  18           HG       SER  18   1.207   6.193   2.313
  145    H    LEU  19           HN       LEU  19   2.066   5.895   4.990
  146    HA   LEU  19           HA       LEU  19   1.969   4.555   6.835
  147   1HB   LEU  19           HBR      LEU  19   3.225   2.599   4.886
  148   2HB   LEU  19           HBS      LEU  19   2.533   2.173   6.478
  149    HG   LEU  19           HG       LEU  19   0.938   1.557   4.855
  150   1HD1  LEU  19           HMD      LEU  19   0.285   4.194   6.182
  151   2HD1  LEU  19           HMD      LEU  19  -0.913   3.290   5.220
  152   3HD1  LEU  19           HMD      LEU  19  -0.190   2.548   6.671
  153   1HD2  LEU  19           HMD      LEU  19   2.117   3.254   3.204
  154   2HD2  LEU  19           HMD      LEU  19   0.428   2.744   2.955
  155   3HD2  LEU  19           HMD      LEU  19   0.782   4.321   3.707
  156    H    GLY  20           HN       GLY  20   4.312   6.272   6.264
  157   1HA   GLY  20           HAS      GLY  20   6.131   6.928   7.514
  158   2HA   GLY  20           HAR      GLY  20   5.498   5.826   8.765
  159    H    LYS  21           HN       LYS  21   6.182   4.405   5.702
  160    HA   LYS  21           HA       LYS  21   9.022   4.025   6.247
  161   1HB   LYS  21           HBS      LYS  21   7.390   1.925   6.962
  162   2HB   LYS  21           HBR      LYS  21   7.799   1.533   5.268
  163   1HG   LYS  21           HGR      LYS  21   9.402   0.457   6.709
  164   2HG   LYS  21           HGS      LYS  21  10.222   1.798   5.860
  165   1HD   LYS  21           HDR      LYS  21  11.024   2.117   7.922
  166   2HD   LYS  21           HDS      LYS  21   9.647   3.184   7.959
  167   1HE   LYS  21           HES      LYS  21   8.552   0.839   8.863
  168   2HE   LYS  21           HER      LYS  21  10.227   0.746   9.475
  169   1HZ   LYS  21           HZB      LYS  21   8.674   3.187   9.826
  170   2HZ   LYS  21           HZC      LYS  21   8.453   1.932  10.848
  171   3HZ   LYS  21           HZA      LYS  21   9.926   2.624  10.712
  172    H    ASP  22           HN       ASP  22  10.026   4.532   4.446
  173    HA   ASP  22           HA       ASP  22   8.444   5.672   2.454
  174   1HB   ASP  22           HBS      ASP  22  11.400   5.139   2.199
  175   2HB   ASP  22           HBR      ASP  22  10.429   6.409   1.402
  176    H    TRP  23           HN       TRP  23   8.906   5.400   0.050
  177    HA   TRP  23           HA       TRP  23   9.300   2.557  -0.726
  178   1HB   TRP  23           HBR      TRP  23   7.150   4.462  -1.677
  179   2HB   TRP  23           HBS      TRP  23   7.368   2.750  -2.170
  180    HD1  TRP  23           HD1      TRP  23   6.383   4.905   0.884
  181    HE1  TRP  23           HE1      TRP  23   4.554   3.650   2.185
  182    HE3  TRP  23           HE3      TRP  23   6.392   0.586  -1.801
  183    HZ2  TRP  23           HZ2      TRP  23   3.227   1.185   1.994
  184    HZ3  TRP  23           HZ3      TRP  23   4.878  -1.219  -1.123
  185    HH2  TRP  23           HH2      TRP  23   3.247  -0.894   0.662
  186    H    HIS  24           HN       ZHI  24   9.314   2.475  -3.251
  187    HA   HIS  24           HA       ZHI  24  11.077   4.576  -4.276
  188   1HB   HIS  24           HBS      ZHI  24  10.111   1.988  -5.571
  189   2HB   HIS  24           HBR      ZHI  24  11.262   3.147  -6.301
  190    HD2  HIS  24           HD2      ZHI  24  13.326   3.662  -3.985
  191    HE1  HIS  24           HE1      ZHI  24  13.203  -0.363  -2.859
  192    HE2  HIS  24           HE2      ZHI  24  14.635   1.707  -2.911
  193    H    ARG  25           HN       ARG  25  10.741   5.707  -6.204
  194    HA   ARG  25           HA       ARG  25   8.261   6.962  -6.351
  195   1HB   ARG  25           HBR      ARG  25  10.760   7.360  -7.495
  196   2HB   ARG  25           HBS      ARG  25   9.701   7.043  -8.899
  197   1HG   ARG  25           HGS      ARG  25   8.147   8.823  -7.947
  198   2HG   ARG  25           HGR      ARG  25   9.480   9.245  -6.832
  199   1HD   ARG  25           HDR      ARG  25  10.455  10.437  -8.402
  200   2HD   ARG  25           HDS      ARG  25  10.512   9.015  -9.481
  201    HE   ARG  25           HE       ARG  25   8.669  11.243  -9.618
  202   1HH1  ARG  25           HH1      ARG  25   9.310   7.910 -10.575
  203   2HH1  ARG  25           HH1      ARG  25   8.049   7.894 -11.763
  204   1HH2  ARG  25           HH2      ARG  25   6.947  11.141 -11.090
  205   2HH2  ARG  25           HH2      ARG  25   6.711   9.721 -12.053
  206    HA   PRO  26           HA       PRO  26   7.344   4.426 -10.314
  207   1HB   PRO  26           HBR      PRO  26   9.033   2.247 -10.537
  208   2HB   PRO  26           HBS      PRO  26   8.845   3.483 -11.604
  209   1HG   PRO  26           HGR      PRO  26  11.021   3.058 -10.105
  210   2HG   PRO  26           HGS      PRO  26  10.671   4.451 -10.955
  211   1HD   PRO  26           HDS      PRO  26  10.489   3.995  -8.186
  212   2HD   PRO  26           HDR      PRO  26  10.577   5.439  -8.990
  213    H    CYS  27           HN       CYS  27   8.200   2.868  -7.443
  214    HA   CYS  27           HA       CYS  27   6.896   0.396  -7.971
  215   1HB   CYS  27           HBS      CYS  27   8.162   1.719  -5.626
  216   2HB   CYS  27           HBR      CYS  27   7.010   0.393  -5.301
  217    H    LEU  28           HN       LEU  28   5.934   3.232  -6.024
  218    HA   LEU  28           HA       LEU  28   3.949   1.900  -4.607
  219   1HB   LEU  28           HBS      LEU  28   5.206   4.090  -4.203
  220   2HB   LEU  28           HBR      LEU  28   3.943   4.862  -5.203
  221    HG   LEU  28           HG       LEU  28   2.390   3.587  -3.410
  222   1HD1  LEU  28           HMD      LEU  28   5.031   3.435  -2.320
  223   2HD1  LEU  28           HMD      LEU  28   4.082   4.589  -1.350
  224   3HD1  LEU  28           HMD      LEU  28   3.487   2.927  -1.590
  225   1HD2  LEU  28           HMD      LEU  28   3.450   6.238  -3.897
  226   2HD2  LEU  28           HMD      LEU  28   1.822   5.743  -3.368
  227   3HD2  LEU  28           HMD      LEU  28   3.111   6.000  -2.165
  228    H    LYS  29           HN       LYS  29   2.465   0.754  -5.684
  229    HA   LYS  29           HA       LYS  29   0.707   2.202  -7.614
  230   1HB   LYS  29           HBS      LYS  29   2.462  -0.052  -8.020
  231   2HB   LYS  29           HBR      LYS  29   0.762  -0.550  -8.251
  232   1HG   LYS  29           HGS      LYS  29   0.707   1.711  -9.688
  233   2HG   LYS  29           HGR      LYS  29   2.449   1.344  -9.841
  234   1HD   LYS  29           HDR      LYS  29   1.588  -1.031 -10.455
  235   2HD   LYS  29           HDS      LYS  29   0.053  -0.255 -10.733
  236   1HE   LYS  29           HES      LYS  29   1.216   1.303 -12.327
  237   2HE   LYS  29           HER      LYS  29   2.688   0.320 -12.083
  238   1HZ   LYS  29           HZC      LYS  29   0.162  -0.873 -12.957
  239   2HZ   LYS  29           HZA      LYS  29   1.231  -0.250 -14.024
  240   3HZ   LYS  29           HZB      LYS  29   1.668  -1.496 -13.062
  241    H    CYS  30           HN       CYS  30  -1.427   1.761  -7.559
  242    HA   CYS  30           HA       CYS  30  -2.735   0.464  -5.433
  243   1HB   CYS  30           HBS      CYS  30  -3.590   2.020  -7.383
  244   2HB   CYS  30           HBR      CYS  30  -3.970   0.449  -8.147
  245    H    GLU  31           HN       GLU  31  -4.377  -1.404  -6.049
  246    HA   GLU  31           HA       GLU  31  -3.419  -3.171  -8.172
  247   1HB   GLU  31           HBR      GLU  31  -2.388  -3.946  -6.003
  248   2HB   GLU  31           HBS      GLU  31  -3.937  -4.093  -5.375
  249   1HG   GLU  31           HGR      GLU  31  -4.461  -6.088  -6.407
  250   2HG   GLU  31           HGS      GLU  31  -3.651  -5.535  -7.897
  251    H    LYS  32           HN       LYS  32  -5.602  -1.252  -7.481
  252    HA   LYS  32           HA       LYS  32  -7.951  -3.086  -7.610
  253   1HB   LYS  32           HBS      LYS  32  -7.239  -1.344  -5.513
  254   2HB   LYS  32           HBR      LYS  32  -8.555  -0.529  -6.404
  255   1HG   LYS  32           HGR      LYS  32  -9.333  -1.969  -4.503
  256   2HG   LYS  32           HGS      LYS  32 -10.027  -2.408  -6.089
  257   1HD   LYS  32           HDR      LYS  32  -7.583  -3.840  -5.603
  258   2HD   LYS  32           HDS      LYS  32  -8.668  -4.065  -4.259
  259   1HE   LYS  32           HES      LYS  32  -9.316  -4.549  -7.178
  260   2HE   LYS  32           HER      LYS  32  -8.930  -5.792  -5.952
  261   1HZ   LYS  32           HZC      LYS  32 -11.005  -4.134  -5.061
  262   2HZ   LYS  32           HZA      LYS  32 -11.390  -4.738  -6.528
  263   3HZ   LYS  32           HZB      LYS  32 -11.012  -5.750  -5.303
  264    H    CYS  33           HN       CYS  33  -6.536   0.069  -8.412
  265    HA   CYS  33           HA       CYS  33  -8.458   0.195 -10.684
  266   1HB   CYS  33           HBS      CYS  33  -7.877   2.553 -10.957
  267   2HB   CYS  33           HBR      CYS  33  -8.677   2.197  -9.400
  268    H    GLY  34           HN       GLY  34  -5.119   0.176  -9.580
  269   1HA   GLY  34           HAR      GLY  34  -3.507  -1.175 -10.539
  270   2HA   GLY  34           HAS      GLY  34  -4.536  -1.340 -11.986
  271    H    LYS  35           HN       LYS  35  -3.039   1.462 -10.316
  272    HA   LYS  35           HA       LYS  35  -0.751   1.450 -11.953
  273   1HB   LYS  35           HBS      LYS  35  -1.263   3.890 -12.867
  274   2HB   LYS  35           HBR      LYS  35  -1.620   2.414 -13.808
  275   1HG   LYS  35           HGR      LYS  35  -3.913   2.985 -12.202
  276   2HG   LYS  35           HGS      LYS  35  -3.402   4.511 -12.980
  277   1HD   LYS  35           HDR      LYS  35  -4.080   1.902 -14.308
  278   2HD   LYS  35           HDS      LYS  35  -5.014   3.372 -14.354
  279   1HE   LYS  35           HER      LYS  35  -3.986   3.686 -16.312
  280   2HE   LYS  35           HES      LYS  35  -2.616   4.250 -15.316
  281   1HZ   LYS  35           HZB      LYS  35  -2.239   1.630 -15.341
  282   2HZ   LYS  35           HZC      LYS  35  -2.903   1.828 -16.820
  283   3HZ   LYS  35           HZA      LYS  35  -1.554   2.655 -16.412
  284    H    THR  36           HN       THR  36   0.411   3.703 -11.728
  285    HA   THR  36           HA       THR  36   1.133   3.540  -9.061
  286    HB   THR  36           HB       THR  36   1.863   6.032 -10.641
  287    HG1  THR  36           HG1      THR  36   1.846   4.814 -12.043
  288   1HG2  THR  36           HMG      THR  36   3.326   4.154  -8.792
  289   2HG2  THR  36           HMG      THR  36   4.190   5.277  -9.872
  290   3HG2  THR  36           HMG      THR  36   3.071   5.911  -8.638
  291    H    LEU  37           HN       LEU  37   1.547   5.651  -7.718
  292    HA   LEU  37           HA       LEU  37  -1.057   7.076  -7.449
  293   1HB   LEU  37           HBR      LEU  37   0.664   5.961  -5.221
  294   2HB   LEU  37           HBS      LEU  37  -0.982   6.648  -5.106
  295    HG   LEU  37           HG       LEU  37  -0.513   4.192  -6.761
  296   1HD1  LEU  37           HMD      LEU  37  -0.199   4.441  -3.837
  297   2HD1  LEU  37           HMD      LEU  37  -1.365   3.198  -4.359
  298   3HD1  LEU  37           HMD      LEU  37   0.316   3.144  -4.946
  299   1HD2  LEU  37           HMD      LEU  37  -2.663   5.812  -6.132
  300   2HD2  LEU  37           HMD      LEU  37  -2.756   4.141  -6.745
  301   3HD2  LEU  37           HMD      LEU  37  -2.838   4.453  -4.992
  302    H    THR  38           HN       THR  38  -0.616   8.735  -5.463
  303    HA   THR  38           HA       THR  38   1.737  10.348  -6.320
  304    HB   THR  38           HB       THR  38  -1.087  11.247  -5.515
  305    HG1  THR  38           HG1      THR  38  -1.092  10.565  -7.262
  306   1HG2  THR  38           HMG      THR  38   0.697  12.801  -4.674
  307   2HG2  THR  38           HMG      THR  38   1.196  13.040  -6.368
  308   3HG2  THR  38           HMG      THR  38  -0.439  13.518  -5.845
  309    H    SER  39           HN       SER  39   2.997  11.290  -4.851
  310    HA   SER  39           HA       SER  39   3.951  11.838  -2.855
  311   1HB   SER  39           HBS      SER  39   2.285  13.483  -2.850
  312   2HB   SER  39           HBR      SER  39   1.006  12.327  -2.380
  313    HG   SER  39           HG       SER  39   3.386  12.777  -0.803
  314    H    GLY  40           HN       GLY  40   1.057  10.673  -1.225
  315   1HA   GLY  40           HAR      GLY  40   1.756   7.967  -1.122
  316   2HA   GLY  40           HAS      GLY  40   2.260   8.672   0.439
  317    H    GLY  41           HN       GLY  41  -0.492   9.326  -1.757
  318   1HA   GLY  41           HAR      GLY  41  -2.283   9.620   0.573
  319   2HA   GLY  41           HAS      GLY  41  -2.656  10.038  -1.119
  320    H    HIS  42           HN       HIS  42  -1.169   7.064  -1.195
  321    HA   HIS  42           HA       HIS  42  -3.642   5.555  -1.160
  322   1HB   HIS  42           HBS      HIS  42  -2.289   3.617  -1.776
  323   2HB   HIS  42           HBR      HIS  42  -1.882   5.018  -2.808
  324    HD1  HIS  42           HD1      HIS  42  -0.254   2.399  -0.896
  325    HD2  HIS  42           HD2      HIS  42   0.482   6.446  -1.555
  326    HE1  HIS  42           HE1      HIS  42   2.112   2.814  -0.178
  327    HE2  HIS  42           HE2      HIS  42   2.576   5.251  -0.618
  328    H    ALA  43           HN       ALA  43  -2.999   3.129  -0.180
  329    HA   ALA  43           HA       ALA  43  -1.600   3.283   2.341
  330   1HB   ALA  43           HMB      ALA  43  -4.381   3.709   2.437
  331   2HB   ALA  43           HMB      ALA  43  -4.115   2.030   2.971
  332   3HB   ALA  43           HMB      ALA  43  -3.270   3.370   3.789
  333    H    GLU  44           HN       GLU  44  -1.342   1.144   3.295
  334    HA   GLU  44           HA       GLU  44  -1.260  -0.903   1.115
  335   1HB   GLU  44           HBS      GLU  44   0.583  -1.794   2.186
  336   2HB   GLU  44           HBR      GLU  44   0.915  -0.177   1.880
  337   1HG   GLU  44           HGS      GLU  44   1.553  -0.020   4.053
  338   2HG   GLU  44           HGR      GLU  44  -0.153  -0.188   4.547
  339    H    HIS  45           HN       HIS  45  -1.880  -2.989   1.615
  340    HA   HIS  45           HA       HIS  45  -3.500  -3.366   4.070
  341   1HB   HIS  45           HBS      HIS  45  -4.562  -4.164   1.967
  342   2HB   HIS  45           HBR      HIS  45  -3.165  -5.244   1.688
  343    HD1  HIS  45           HD1      HIS  45  -5.923  -4.728   4.333
  344    HD2  HIS  45           HD2      HIS  45  -3.221  -7.604   3.002
  345    HE1  HIS  45           HE1      HIS  45  -6.433  -6.822   5.613
  346    HE2  HIS  45           HE2      HIS  45  -4.827  -8.578   4.784
  347    H    GLU  46           HN       GLU  46  -0.758  -4.667   2.200
  348    HA   GLU  46           HA       GLU  46   0.861  -4.774   4.493
  349   1HB   GLU  46           HBS      GLU  46  -0.698  -7.122   3.846
  350   2HB   GLU  46           HBR      GLU  46   0.932  -7.517   3.875
  351   1HG   GLU  46           HGR      GLU  46   0.909  -7.485   6.242
  352   2HG   GLU  46           HGS      GLU  46   0.260  -5.826   6.141
  353    H    GLY  47           HN       GLY  47   1.919  -3.552   2.821
  354   1HA   GLY  47           HAR      GLY  47   3.958  -3.525   1.660
  355   2HA   GLY  47           HAS      GLY  47   3.767  -5.263   1.303
  356    H    LYS  48           HN       LYS  48   0.853  -4.481   0.520
  357    HA   LYS  48           HA       LYS  48   1.579  -3.916  -2.322
  358   1HB   LYS  48           HBR      LYS  48   0.441  -6.223  -1.406
  359   2HB   LYS  48           HBS      LYS  48  -1.006  -5.227  -1.732
  360   1HG   LYS  48           HGS      LYS  48  -0.830  -6.018  -3.832
  361   2HG   LYS  48           HGR      LYS  48   0.481  -4.817  -4.009
  362   1HD   LYS  48           HDS      LYS  48   0.790  -7.725  -3.207
  363   2HD   LYS  48           HDR      LYS  48   1.010  -7.093  -4.816
  364   1HE   LYS  48           HER      LYS  48   2.569  -5.674  -2.796
  365   2HE   LYS  48           HES      LYS  48   2.995  -7.398  -2.977
  366   1HZ   LYS  48           HZC      LYS  48   2.649  -6.144  -5.474
  367   2HZ   LYS  48           HZA      LYS  48   3.770  -5.352  -4.590
  368   3HZ   LYS  48           HZB      LYS  48   3.947  -6.948  -4.892
  369    HA   PRO  49           HA       PRO  49  -0.639  -0.344  -0.955
  370   1HB   PRO  49           HBR      PRO  49   0.126   1.246  -2.955
  371   2HB   PRO  49           HBS      PRO  49   0.971   1.043  -1.560
  372   1HG   PRO  49           HGS      PRO  49   1.518  -0.007  -4.100
  373   2HG   PRO  49           HGR      PRO  49   2.584   0.299  -2.851
  374   1HD   PRO  49           HDS      PRO  49   1.702  -2.127  -3.525
  375   2HD   PRO  49           HDR      PRO  49   2.376  -1.746  -2.063
  376    H    TYR  50           HN       TYR  50  -2.515   0.693  -1.224
  377    HA   TYR  50           HA       TYR  50  -3.657   0.644  -3.901
  378   1HB   TYR  50           HBR      TYR  50  -5.409  -0.147  -1.547
  379   2HB   TYR  50           HBS      TYR  50  -5.879  -0.010  -3.266
  380    HD1  TYR  50           HD1      TYR  50  -3.172  -1.821  -1.360
  381    HD2  TYR  50           HD2      TYR  50  -6.420  -2.082  -4.091
  382    HE1  TYR  50           HE1      TYR  50  -2.854  -4.254  -1.494
  383    HE2  TYR  50           HE2      TYR  50  -6.117  -4.514  -4.231
  384    HH   TYR  50           HH       TYR  50  -3.241  -6.019  -2.985
  385    H    CYS  51           HN       CYS  51  -5.132   2.380  -4.206
  386    HA   CYS  51           HA       CYS  51  -4.872   4.710  -2.842
  387   1HB   CYS  51           HBS      CYS  51  -7.509   3.839  -4.046
  388   2HB   CYS  51           HBR      CYS  51  -6.916   5.503  -3.792
  389    H    ASN  52           HN       ASN  52  -5.871   5.852  -1.241
  390    HA   ASN  52           HA       ASN  52  -6.744   4.516   1.000
  391   1HB   ASN  52           HBR      ASN  52  -6.203   7.162   0.319
  392   2HB   ASN  52           HBS      ASN  52  -7.866   7.170   0.974
  393   1HD2  ASN  52           HD2      ASN  52  -5.083   7.474   3.615
  394   2HD2  ASN  52           HD2      ASN  52  -5.205   8.172   2.034
  395    H    HIS  53           HN       HIS  53  -8.791   6.158  -1.414
  396    HA   HIS  53           HA       HIS  53 -10.680   3.960  -1.244
  397   1HB   HIS  53           HBS      HIS  53 -11.516   6.746  -0.359
  398   2HB   HIS  53           HBR      HIS  53 -12.668   5.582  -1.072
  399    HD1  HIS  53           HD1      HIS  53 -13.693   3.901   0.551
  400    HD2  HIS  53           HD2      HIS  53 -10.371   5.867   2.114
  401    HE1  HIS  53           HE1      HIS  53 -13.628   3.345   2.993
  402    HE2  HIS  53           HE2      HIS  53 -11.615   4.526   3.943
  403    HA   PRO  54           HA       PRO  54 -12.789   3.949  -1.820
  404   1HB   PRO  54           HBR      PRO  54 -14.025   2.576  -3.756
  405   2HB   PRO  54           HBS      PRO  54 -14.623   3.923  -3.033
  406   1HG   PRO  54           HGR      PRO  54 -13.673   3.672  -5.620
  407   2HG   PRO  54           HGS      PRO  54 -14.495   4.949  -4.931
  408   1HD   PRO  54           HDS      PRO  54 -11.799   4.789  -5.461
  409   2HD   PRO  54           HDR      PRO  54 -12.621   6.068  -4.808
  410    H    CYS  55           HN       CYS  55 -10.246   3.238  -3.649
  411    HA   CYS  55           HA       CYS  55 -10.538   0.585  -4.288
  412   1HB   CYS  55           HBS      CYS  55  -8.011   2.144  -3.706
  413   2HB   CYS  55           HBR      CYS  55  -8.042   0.508  -4.424
  414    H    TYR  56           HN       TYR  56  -8.696   1.832  -1.475
  415    HA   TYR  56           HA       TYR  56  -7.817  -0.703  -0.621
  416   1HB   TYR  56           HBR      TYR  56  -6.714   1.355   0.054
  417   2HB   TYR  56           HBS      TYR  56  -8.162   1.870   0.964
  418    HD1  TYR  56           HD1      TYR  56  -6.749  -1.582   0.942
  419    HD2  TYR  56           HD2      TYR  56  -7.181   2.043   3.123
  420    HE1  TYR  56           HE1      TYR  56  -5.817  -2.677   2.934
  421    HE2  TYR  56           HE2      TYR  56  -6.229   0.969   5.113
  422    HH   TYR  56           HH       TYR  56  -6.186  -1.989   5.733
  423    H    SER  57           HN       SER  57 -10.679   1.202   0.248
  424    HA   SER  57           HA       SER  57 -11.587  -0.544   2.352
  425   1HB   SER  57           HBS      SER  57 -13.803   0.580   1.905
  426   2HB   SER  57           HBR      SER  57 -12.451   1.642   2.395
  427    HG   SER  57           HG       SER  57 -13.176   1.017  -0.346
  428    H    ALA  58           HN       ALA  58 -11.499  -0.719  -1.072
  429    HA   ALA  58           HA       ALA  58 -13.976  -2.000  -1.576
  430   1HB   ALA  58           HMB      ALA  58 -12.438  -0.823  -3.210
  431   2HB   ALA  58           HMB      ALA  58 -11.463  -2.315  -3.223
  432   3HB   ALA  58           HMB      ALA  58 -13.162  -2.356  -3.758
  433    H    MET  59           HN       MET  59 -10.685  -3.294  -1.081
  434    HA   MET  59           HA       MET  59 -11.810  -6.007  -0.702
  435   1HB   MET  59           HBS      MET  59  -9.384  -5.106  -1.758
  436   2HB   MET  59           HBR      MET  59  -8.975  -5.749  -0.141
  437   1HG   MET  59           HGR      MET  59 -10.248  -7.829  -0.708
  438   2HG   MET  59           HGS      MET  59 -10.480  -7.207  -2.360
  439   1HE   MET  59           HME      MET  59  -9.634  -9.215  -3.069
  440   2HE   MET  59           HME      MET  59  -8.312  -8.660  -4.127
  441   3HE   MET  59           HME      MET  59  -8.003  -9.910  -2.895
  442    H    PHE  60           HN       PHE  60  -9.953  -3.478   1.000
  443    HA   PHE  60           HA       PHE  60 -10.608  -4.848   3.563
  444   1HB   PHE  60           HBR      PHE  60  -8.210  -3.030   3.236
  445   2HB   PHE  60           HBS      PHE  60  -8.533  -4.277   4.474
  446    HD1  PHE  60           HD1      PHE  60  -8.635  -6.644   3.765
  447    HD2  PHE  60           HD2      PHE  60  -6.904  -3.643   1.282
  448    HE1  PHE  60           HE1      PHE  60  -7.325  -8.375   2.620
  449    HE2  PHE  60           HE2      PHE  60  -5.575  -5.370   0.112
  450    HZ   PHE  60           HZ       PHE  60  -5.727  -7.730   0.857
  451    H    GLY  61           HN       GLY  61 -12.525  -3.663   3.779
  452   1HA   GLY  61           HAR      GLY  61 -12.221  -0.703   4.103
  453   2HA   GLY  61           HAS      GLY  61 -13.673  -1.502   3.439
  454    HA   PRO  62           HA       PRO  62 -13.699  -1.133   8.229
  455   1HB   PRO  62           HBS      PRO  62 -14.696   1.359   8.405
  456   2HB   PRO  62           HBR      PRO  62 -13.178   0.918   8.850
  457   1HG   PRO  62           HGS      PRO  62 -14.006   2.343   6.594
  458   2HG   PRO  62           HGR      PRO  62 -12.480   2.271   7.268
  459   1HD   PRO  62           HDS      PRO  62 -13.227   1.024   5.015
  460   2HD   PRO  62           HDR      PRO  62 -11.865   0.679   5.886
  461    H    LYS  63           HN       LYS  63 -15.709  -0.083   5.678
  462    HA   LYS  63           HA       LYS  63 -18.123  -0.186   7.270
  463   1HB   LYS  63           HBS      LYS  63 -18.179  -0.168   4.275
  464   2HB   LYS  63           HBR      LYS  63 -19.208   0.691   5.456
  465   1HG   LYS  63           HGR      LYS  63 -17.386   2.257   5.936
  466   2HG   LYS  63           HGS      LYS  63 -16.312   1.375   4.812
  467   1HD   LYS  63           HDS      LYS  63 -18.825   2.886   4.092
  468   2HD   LYS  63           HDR      LYS  63 -17.182   3.406   3.836
  469   1HE   LYS  63           HES      LYS  63 -16.867   2.118   2.029
  470   2HE   LYS  63           HER      LYS  63 -17.827   0.774   2.707
  471   1HZ   LYS  63           HZB      LYS  63 -19.446   3.002   2.159
  472   2HZ   LYS  63           HZC      LYS  63 -18.625   2.567   0.815
  473   3HZ   LYS  63           HZA      LYS  63 -19.565   1.477   1.588
  474    H    GLY  64           HN       GLY  64 -16.986  -2.002   4.391
  475   1HA   GLY  64           HAR      GLY  64 -19.199  -3.702   4.205
  476   2HA   GLY  64           HAS      GLY  64 -17.588  -4.049   3.523
  477    H    PHE  65           HN       PHE  65 -19.858  -4.692   6.046
  478    HA   PHE  65           HA       PHE  65 -19.933  -6.103   7.824
  479   1HB   PHE  65           HBR      PHE  65 -18.885  -8.334   7.500
  480   2HB   PHE  65           HBS      PHE  65 -19.887  -7.799   6.122
  481    HD1  PHE  65           HD1      PHE  65 -18.952  -7.195   4.063
  482    HD2  PHE  65           HD2      PHE  65 -16.481  -8.762   7.160
  483    HE1  PHE  65           HE1      PHE  65 -17.188  -7.616   2.412
  484    HE2  PHE  65           HE2      PHE  65 -14.685  -9.197   5.515
  485    HZ   PHE  65           HZ       PHE  65 -15.043  -8.593   3.139
  486    H    GLY  66           HN       GLY  66 -19.018  -4.825   9.376
  487   1HA   GLY  66           HAS      GLY  66 -16.489  -5.881  10.424
  488   2HA   GLY  66           HAR      GLY  66 -16.524  -4.118  10.147
  489    H    ARG  67           HN       ARG  67 -18.369  -6.772  11.679
  490    HA   ARG  67           HA       ARG  67 -18.495  -5.172  14.129
  491   1HB   ARG  67           HBR      ARG  67 -20.636  -4.631  13.096
  492   2HB   ARG  67           HBS      ARG  67 -20.996  -6.370  12.893
  493   1HG   ARG  67           HGS      ARG  67 -21.125  -6.678  15.284
  494   2HG   ARG  67           HGR      ARG  67 -20.584  -4.998  15.571
  495   1HD   ARG  67           HDS      ARG  67 -22.864  -4.864  15.848
  496   2HD   ARG  67           HDR      ARG  67 -22.633  -4.346  14.155
  497    HE   ARG  67           HE       ARG  67 -23.089  -7.011  13.895
  498   1HH1  ARG  67           HH1      ARG  67 -24.750  -4.658  15.928
  499   2HH1  ARG  67           HH1      ARG  67 -26.309  -5.365  15.659
  500   1HH2  ARG  67           HH2      ARG  67 -25.160  -7.827  13.462
  501   2HH2  ARG  67           HH2      ARG  67 -26.541  -7.159  14.264
  502    H    GLY  68           HN       GLY  68 -20.153  -8.117  12.963
  503   1HA   GLY  68           HAR      GLY  68 -18.539  -9.837  14.751
  504   2HA   GLY  68           HAS      GLY  68 -20.258  -9.596  15.160
  505    H    GLY  69           HN       GLY  69 -19.987 -12.041  14.817
  506   1HA   GLY  69           HAR      GLY  69 -20.993 -12.846  12.191
  507   2HA   GLY  69           HAS      GLY  69 -19.306 -13.326  12.514
  508    H    ALA  70           HN       ALA  70 -19.124 -14.115  14.984
  509    HA   ALA  70           HA       ALA  70 -20.198 -16.693  14.850
  510   1HB   ALA  70           HMB      ALA  70 -18.771 -15.116  16.969
  511   2HB   ALA  70           HMB      ALA  70 -19.418 -16.736  17.335
  512   3HB   ALA  70           HMB      ALA  70 -18.225 -16.525  16.027
  513    H    GLU  71           HN       GLU  71 -21.721 -17.807  16.035
  514    HA   GLU  71           HA       GLU  71 -23.157 -16.642  18.207
  515   1HB   GLU  71           HBR      GLU  71 -25.278 -16.338  17.282
  516   2HB   GLU  71           HBS      GLU  71 -24.168 -15.491  16.351
  517   1HG   GLU  71           HGS      GLU  71 -24.068 -17.189  14.624
  518   2HG   GLU  71           HGR      GLU  71 -25.290 -18.185  15.458
  519    H    SER  72           HN       SER  72 -23.510 -18.285  19.494
  520    HA   SER  72           HA       SER  72 -22.914 -20.940  18.543
  521   1HB   SER  72           HBS      SER  72 -23.753 -20.025  21.306
  522   2HB   SER  72           HBR      SER  72 -23.025 -21.600  20.874
  523    HG   SER  72           HG       SER  72 -21.531 -20.165  21.810
  524    H    HIS  73           HN       HIS  73 -25.500 -20.210  20.856
  525    HA   HIS  73           HA       HIS  73 -26.921 -22.519  20.169
  526   1HB   HIS  73           HBR      HIS  73 -27.107 -21.038  22.322
  527   2HB   HIS  73           HBS      HIS  73 -28.364 -20.164  21.400
  528    HD1  HIS  73           HD1      HIS  73 -30.609 -21.033  22.202
  529    HD2  HIS  73           HD2      HIS  73 -27.786 -24.065  21.779
  530    HE1  HIS  73           HE1      HIS  73 -31.832 -23.191  22.557
  531    HE2  HIS  73           HE2      HIS  73 -30.133 -25.031  22.280
  532    H    THR  74           HN       THR  74 -28.777 -22.934  19.051
  533    HA   THR  74           HA       THR  74 -30.151 -20.733  17.688
  534    HB   THR  74           HB       THR  74 -30.223 -22.550  15.619
  535    HG1  THR  74           HG1      THR  74 -29.010 -23.800  16.181
  536   1HG2  THR  74           HMG      THR  74 -28.505 -20.150  16.099
  537   2HG2  THR  74           HMG      THR  74 -28.206 -21.148  14.652
  538   3HG2  THR  74           HMG      THR  74 -29.808 -20.411  14.913
  539    H    PHE  75           HN       PHE  75 -29.975 -24.306  17.933
  540    HA   PHE  75           HA       PHE  75 -32.618 -24.251  19.215
  541   1HB   PHE  75           HBS      PHE  75 -33.124 -24.823  16.830
  542   2HB   PHE  75           HBR      PHE  75 -32.048 -26.243  16.979
  543    HD1  PHE  75           HD2      PHE  75 -35.124 -24.732  18.600
  544    HD2  PHE  75           HD1      PHE  75 -32.800 -28.200  17.749
  545    HE1  PHE  75           HE2      PHE  75 -36.949 -26.159  19.467
  546    HE2  PHE  75           HE1      PHE  75 -34.596 -29.639  18.600
  547    HZ   PHE  75           HZ       PHE  75 -36.695 -28.624  19.404
  548    H    LYS  76           HN       LYS  76 -30.525 -26.841  17.917
  549    HA   LYS  76           HA       LYS  76 -29.495 -27.511  20.521
  550   1HB   LYS  76           HBR      LYS  76 -31.947 -28.570  20.229
  551   2HB   LYS  76           HBS      LYS  76 -30.992 -29.814  19.372
  552   1HG   LYS  76           HGR      LYS  76 -29.735 -29.084  21.894
  553   2HG   LYS  76           HGS      LYS  76 -31.427 -29.602  22.143
  554   1HD   LYS  76           HDS      LYS  76 -30.320 -31.422  20.313
  555   2HD   LYS  76           HDR      LYS  76 -29.082 -31.149  21.508
  556   1HE   LYS  76           HES      LYS  76 -30.260 -32.937  22.378
  557   2HE   LYS  76           HER      LYS  76 -30.897 -31.523  23.261
  558   1HZ   LYS  76           HZC      LYS  76 -32.736 -31.502  21.706
  559   2HZ   LYS  76           HZA      LYS  76 -32.165 -32.837  20.958
  560   3HZ   LYS  76           HZB      LYS  76 -32.664 -32.921  22.512
   
  No H/Q in entry =         560
   
  No H/Q in entry =         560