Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 891.37 390 0.1956 6.67 627 355.0 1.30 90 8.4101 29.30 2 917.18 390 0.1981 6.80 653 359.6 1.22 96 8.9393 29.76 3 943.39 406 0.1959 6.71 632 371.3 1.54 10110.8667 64.94 4 950.02 398 0.2012 6.86 671 367.6 1.40 109 9.4211 34.36 5 952.00 410 0.2014 6.83 687 371.2 1.41 111 9.2007 35.97 6 959.96 400 0.2010 6.71 652 368.6 1.25 94 9.1842 37.16 7 961.83 392 0.1998 6.70 647 374.1 1.51 10111.1880 81.48 8 961.83 384 0.2014 6.70 678 371.4 1.36 10310.0592 56.14 9 966.20 410 0.1971 6.58 732 395.0 1.12 9610.2804 47.66 10 971.50 392 0.1988 6.82 726 393.7 1.42 10210.1998 46.33 11 974.35 407 0.1970 6.93 704 387.8 1.48 10510.6652 51.29 12 974.38 422 0.1999 6.60 738 391.4 1.26 11110.5282 58.02 13 978.78 418 0.2010 6.81 721 396.7 1.49 108 9.4285 34.92 14 979.39 393 0.2016 6.60 708 388.9 1.24 10910.7009 53.16 15 980.09 412 0.2036 6.38 720 382.7 1.21 10610.4753 52.51 16 981.52 417 0.2009 6.36 732 392.5 1.08 9811.1436 46.64 17 983.64 406 0.2022 6.62 691 374.0 1.32 10310.4706 51.06 18 990.51 420 0.2019 6.93 725 387.0 1.47 11110.6470 52.77 19 1014.49 429 0.2058 6.95 757 398.3 1.10 9410.2717 43.20 20 1024.19 418 0.2073 8.12 758 404.9 1.10 106 9.9483 42.01 Ave 967.83 406 0.2006 6.78 698 381.6 1.31 10310.1015 47.43 +/- 28.74 12 0.0029 0.35 39 13.6 0.15 6 0.7470 12.30 Min 891.37 384 0.1956 6.36 627 355.0 1.08 90 8.4101 29.30 Max 1024.19 429 0.2073 8.12 758 404.9 1.54 11111.1880 81.48 Cut 0.30 0.20 5.00 Constraints violated in 6 or more structures: # mean max. 1 5 10 15 20 Upper QB ALA 43 - HG LEU 68 3.84 10 0.46 1.15 + +++ +++ ++ * peak 1528 Upper QB ALA 43 - HA TRP 72 4.05 7 0.19 0.87 + +++ + + * peak 1632 Upper HG3 ARG 44 - HE1 TRP 72 5.50 12 0.36 0.72 ++ + +++ +++ +*+ peak 263 Upper HG3 ARG 44 - HZ2 TRP 72 5.39 9 0.26 0.48 ++ ++* + + + + peak 199 Upper H LEU 45 - HG LEU 45 3.23 7 0.24 0.91 + +* + + ++ peak 686 Upper HA LEU 45 - H CYS 49 4.31 10 0.31 0.53 + *+ +++ + ++ + peak 759 Upper H ARG 46 - QD2 LEU 68 4.72 10 0.32 0.73 + ++ +++ *++ + peak 2532 Upper HA ARG 46 - H PHE 50 4.81 13 0.39 0.81 ++++++* + ++++ + peak 771 Upper HB2 PHE 47 - HB3 TRP 72 5.50 6 0.19 0.56 + ++ + *+ peak 1976 Upper QD PHE 47 - QD1 LEU 65 4.18 13 0.40 0.87 ++++*++ ++ ++ + + peak 2398 Upper QD PHE 47 - H ARG 70 5.50 10 0.30 0.79 + +++++ + +* + peak 97 Upper QD PHE 47 - QD1 LEU 87 3.95 15 0.60 1.07 +*+ ++++ +++ +++++ peak 304 Upper QD PHE 47 - QG1 VAL 88 4.75 20 0.71 1.35 +++++++++++++++++++* peak 2761 Upper QD PHE 47 - QG2 VAL 88 4.17 17 0.96 1.50 + ++++++++++++++ +* peak 3165 Upper QE PHE 47 - QD2 LEU 62 5.50 18 0.79 1.38 ++++++++ + +++++*+++ peak 2310 Upper HZ PHE 47 - QD2 LEU 65 4.43 14 0.43 0.85 ++ ++ +++++++++ * peak 291 Upper HZ PHE 47 - HA CYS 69 4.80 18 0.63 1.08 ++++++++++++++++ +* peak 285 Upper HZ PHE 47 - QG1 VAL 88 4.46 11 0.27 0.58 * + ++ +++ ++ ++ peak 293 Upper HB2 PHE 50 - QD1 LEU 68 5.45 7 0.17 0.68 + + * + + + + peak 2013 Upper HB3 PHE 50 - QD1 LEU 68 4.72 8 0.25 0.78 + *+ ++ + + + peak 2009 Upper HB3 PHE 50 - QB ALA 95 4.79 9 0.30 1.02 +++ + + + + + * peak 2008 Upper QD PHE 50 - HG LEU 65 4.36 18 0.72 1.04 +*++++++++++++++++ peak 283 Upper QD PHE 50 - QD1 LEU 65 4.23 9 0.29 0.71 + + ++++ + *+ peak 284 Upper QD PHE 50 - QB ALA 395 3.01 20 6.50 6.95 ++++++++++++++++++*+ peak 8165 Upper QE PHE 50 - QD TYR 52 3.46 17 1.00 2.12 ++ +++ +++++++++ ++* peak 60 Upper QE PHE 50 - H GLU 53 5.50 8 0.27 0.86 + ++ * + + + + peak 797 Upper QE PHE 50 - QG GLU 53 5.50 19 0.80 1.48 ++++++*+++++ +++++++ peak 2090 Upper QE PHE 50 - H LEU 62 4.64 8 0.24 0.58 + ++++ + + * peak 78 Upper QE PHE 50 - HG LEU 65 5.07 17 0.86 1.62 ++++++ +* ++++++++ + peak 270 Upper QE PHE 50 - QD1 LEU 65 4.74 15 0.49 1.04 ++ + +++++++++ +*+ peak 271 Upper QE PHE 50 - QD1 LEU 68 3.94 12 0.46 1.17 + ++ ++ ++ * ++++ peak 269 Upper QE PHE 50 - HA GLN 359 5.28 15 0.49 1.46 +++++ +++++++ ++* peak 84 QE PHE 350 - HA PHE 392 Upper QE PHE 50 - QB ALA 395 3.33 20 4.77 5.29 ++++++++++++*+++++++ peak 8164 Upper H HIS 51 - HB2 GLN 64 5.50 20 1.15 1.88 ++++++++++++++++*+++ peak 786 Upper H HIS 51 - QB ALA 95 5.50 11 0.29 0.64 + ++ * +++++++ peak 787 Upper HA HIS 51 - QB ALA 95 3.68 19 1.30 1.76 ++++++++*++++++++++ peak 1718 Upper HB2 HIS 51 - QG GLU 53 5.50 12 0.37 0.73 + ++ +*+++ + +++ peak 2086 Upper HB2 HIS 51 - QG GLU 53 5.50 11 0.34 0.73 + ++ +*+++ + ++ peak 2048 HB2 GLU 60 - HB2 HIS 351 Upper HB3 HIS 51 - QG GLU 53 5.41 6 0.21 0.60 + ++ *+ + peak 2043 Upper H TYR 52 - HG LEU 96 5.22 16 1.02 2.59 + ++ +++++++++++*+ peak 793 Upper H TYR 52 - HB3 GLU 360 5.36 15 0.73 4.79 ++ +++++++++ + ++ * peak 794 H TYR 352 - HB3 PRO 397 Upper HA TYR 52 - QB ALA 95 3.94 19 1.05 1.91 ++++++++*++++++++++ peak 8166 Upper QB TYR 52 - QD2 LEU 96 4.42 11 0.37 0.88 ++++ + ++*++ + peak 8179 Upper QB TYR 52 - HD3 PRO 97 5.50 12 0.35 1.09 ++++ *+ +++ ++ + peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 20 1.62 2.06 ++++++++*+++++++++++ peak 8347 Upper QD TYR 52 - QG GLU 54 4.93 12 0.35 0.68 + *+ +++++ + + + + peak 2191 Upper QD TYR 52 - H ALA 61 4.86 17 0.45 1.13 ++++++*+++ ++++ +++ peak 870 Upper QD TYR 52 - QB ALA 61 2.84 20 1.71 2.28 ++++++++*+++++++++++ peak 244 Upper QD TYR 52 - HG3 PRO 97 5.50 14 0.48 0.90 ++++++* + +++++ + peak 3432 Upper QD TYR 52 - HD2 PRO 97 3.20 16 0.83 1.36 ++++++* + ++++++ ++ peak 40 Upper QD TYR 52 - HD3 PRO 97 3.70 15 0.68 1.43 +++++ * + +++++++ + peak 241 Upper QD TYR 52 - QG2 VAL 119 3.77 20 1.34 1.84 ++++++++*+++++++++++ peak 250 Upper QD TYR 52 - QB ALA 395 3.67 20 3.32 4.11 ++++++++*+++++++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 2.41 4.24 ++++++++++++++++*+++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 2.19 3.51 +++++++++++++++++++* peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 2.03 3.08 +++++++++++++++++++* peak 8115 Upper QE TYR 52 - QG2 THR 56 4.13 9 0.59 1.94 * + + + + ++ ++ peak 236 Upper QE TYR 52 - HA PRO 58 3.34 11 0.33 1.45 +++++++ + + + * peak 46 Upper QE TYR 52 - H ALA 61 4.72 20 2.25 2.99 ++++++*+++++++++++++ peak 871 Upper QE TYR 52 - QE PHE 92 5.05 11 0.35 1.04 ++ ++ ++ +++ +* peak 109 Upper QE TYR 52 - HZ PHE 92 4.30 20 1.52 2.30 +++++++++++++++++*++ peak 115 Upper QE TYR 52 - HG2 PRO 97 5.34 9 0.26 0.68 + + + ++++*+ peak 3429 Upper QE TYR 52 - QB ALA 395 4.32 20 2.43 3.65 ++++++++*+++++++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 1.89 2.84 +++++++++++++++++++* peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.88 2.67 +++++++++++*++++++++ peak 8114 Upper HB2 GLU 53 - HB THR 56 4.06 11 0.41 0.97 ++ +* ++ +++ ++ peak 2102 HB THR 56 - HB3 GLU 60 Upper QG GLU 53 - QB ALA 55 3.51 18 0.59 1.00 +++++ +++++++++++*+ peak 1710 Upper HA GLU 54 - H GLY 57 3.90 8 0.27 0.93 + + + + +* ++ peak 821 Upper QG GLU 54 - H ALA 55 4.33 6 0.26 0.37 * + + ++ + peak 809 Upper QG GLU 54 - H GLY 57 5.50 7 0.31 0.83 + + + + +* + peak 825 Upper QG GLU 54 - QD ARG 123 4.05 20 0.96 1.41 ++++++++++++++*+++++ peak 4028 Upper QB ALA 55 - HB THR 56 4.14 8 0.36 1.06 + + + * ++ ++ peak 8150 Upper HB THR 56 - HG2 GLU 60 4.22 19 1.20 1.90 +++++*++++++++ +++++ peak 2104 Upper QG2 THR 56 - H GLU 60 4.48 7 0.23 1.03 + + + + * + + peak 1776 Upper QG2 THR 56 - H ALA 61 4.57 14 0.45 1.10 +*+ +++++ + +++++ peak 894 Upper QG2 THR 56 - HE22 GLN 64 4.65 7 0.29 1.21 +* + + ++ + peak 1770 Upper H GLY 57 - H GLU 60 5.50 14 0.57 1.26 + +++ ++++ + + * +++ peak 398 Upper H GLY 57 - HG3 GLU 60 5.50 8 0.29 1.27 + +*++ ++ + peak 824 Upper HA2 GLY 57 - HE21 GLN 59 5.50 6 0.20 0.91 ++ +++ * peak 845 HE21 GLN 59 - HA ALA 117 Upper HA PRO 58 - H LEU 62 5.50 8 0.32 1.32 +++* + + + + peak 875 Upper HA PRO 58 - HZ PHE 92 4.37 11 0.51 1.28 *+ ++++++ + + + peak 116 Upper HA PRO 58 - QB ALA 116 5.20 8 0.26 0.82 *+ ++ + + + + peak 1625 Upper HB2 PRO 58 - H ALA 117 4.89 20 1.85 2.55 +++*++++++++++++++++ peak 1290 Upper HB2 PRO 58 - H VAL 119 5.50 17 0.95 1.79 +++++*+++++++ + +++ peak 2171 Upper HB3 PRO 58 - HE22 GLN 59 4.68 8 0.27 0.77 ++ +++ +* + peak 8254 HB3 PRO 58 - QD PHE 92 Upper HB3 PRO 58 - HZ PHE 92 3.61 9 0.36 1.28 ++ ++ ++ + + * peak 170 Upper HB3 PRO 58 - HA ALA 116 3.71 19 1.01 1.57 +*+++++++++++ ++++++ peak 8252 Upper HB3 PRO 58 - QB ALA 116 3.67 18 0.77 1.24 *++++ +++++ ++++++++ peak 2138 Upper HB3 PRO 58 - QB ALA 116 3.43 10 0.29 0.91 *++++++ + + + peak 1620 QB GLN 59 - QB ALA 116 HB2 PRO 112 - QB ALA 116 Upper HG2 PRO 58 - H ASP 120 3.27 14 0.37 0.68 +* +++ +++ ++ ++++ peak 805 HB VAL 119 - H ASP 120 Upper HG2 PRO 58 - HB2 ASP 120 4.93 13 0.34 0.75 ++ +*+ +++ + + +++ peak 1489 HB VAL 119 - HB2 ASP 120 Upper HG2 PRO 58 - HB3 ASP 120 3.92 19 1.33 1.96 ++++*++++++++++++++ peak 1486 Upper HD2 PRO 58 - HE21 GLN 59 5.50 16 0.89 1.88 +++*+++++ +++ + +++ peak 846 Upper HD2 PRO 58 - QG2 VAL 119 4.07 6 0.14 0.47 ++ *++ + peak 1760 Upper HD3 PRO 58 - HE22 GLN 59 5.50 6 0.26 1.25 ++ +* + + peak 2162 Upper HD3 PRO 58 - QG2 VAL 119 4.32 9 0.26 0.73 ++++++ + + * peak 1758 HD2 PRO 97 - QG2 VAL 119 Upper HD3 PRO 58 - QG2 VAL 119 4.44 10 0.30 0.75 +++++++ + + * peak 2156 Upper H GLN 59 - HB2 LEU 62 4.88 17 0.93 1.91 +++ +++++++ ++++++ * peak 838 Upper H GLN 59 - QD1 LEU 62 4.96 6 0.30 1.34 + ++ * + + peak 8308 Upper HA GLN 59 - HE22 GLN 59 4.59 7 0.27 1.07 ++ ++ * ++ peak 867 Upper HA GLN 59 - QE PHE 350 5.28 8 0.30 0.79 + + + * ++++ peak 84 QE PHE 50 - HA PHE 92 Upper QB GLN 59 - H LEU 62 5.01 6 0.17 0.76 + + + * + + peak 2214 Upper QB GLN 59 - H ALA 63 4.06 16 0.68 1.24 ++ ++++++++ + ++ *++ peak 897 Upper QB GLN 59 - QB ALA 116 3.12 19 0.92 2.01 +++++*++ +++++++++++ peak 8137 HB2 PRO 112 - QB ALA 116 Upper HG2 GLN 59 - QB ALA 116 4.09 11 0.60 1.76 ++ ++*+ + + + ++ peak 2206 Upper HG3 GLN 59 - QB ALA 116 3.59 8 0.42 1.66 ++ +++ * + + peak 1622 Upper HE21 GLN 59 - QD1 LEU 62 4.94 7 0.37 1.51 ++ +*++ + peak 852 Upper HE21 GLN 59 - HB2 LEU 396 4.41 19 1.74 2.90 +++++++*+++++++++++ peak 849 HE21 GLN 359 - QB ALA 417 Upper HE21 GLN 59 - HB3 LEU 396 4.94 19 2.61 4.60 ++++++*++++++++++++ peak 851 Upper HE22 GLN 59 - HA ALA 117 5.50 13 0.68 1.82 ++++++ + ++* ++ + peak 868 Upper HE22 GLN 59 - QB ALA 117 4.63 20 1.44 2.78 ++*+++++++++++++++++ peak 855 Upper HE22 GLN 59 - HB VAL 119 5.50 6 0.19 0.72 + + *+ + + peak 3966 HZ PHE 92 - HB VAL 119 Upper H GLU 60 - HG2 GLU 60 3.52 7 0.23 0.65 + +++ + + * peak 860 H GLU 60 - HG3 GLU 60 Upper H GLU 60 - QB ALA 63 4.44 14 0.63 1.56 ++ +++++* ++ + +++ peak 863 Upper HB2 GLU 60 - QB ALA 61 3.58 17 0.71 1.75 ++++ +++ ++ +++++++* peak 1607 Upper HB3 GLU 60 - HE22 GLN 64 5.27 8 0.28 0.84 + + + +++ *+ peak 925 Upper HB3 GLU 60 - H TYR 352 5.36 15 0.58 1.26 ++++ *+ +++++++ ++ peak 794 H TYR 52 - HB3 PRO 97 Upper HG3 GLU 60 - QB ALA 61 4.85 11 0.55 1.51 * +++++ ++ + ++ peak 1606 Upper H ALA 61 - H ALA 63 3.31 20 0.84 1.39 ++++++++++*+++++++++ peak 178 Upper HA ALA 61 - HG3 GLN 64 4.32 9 0.42 1.22 + + + + +++ + * peak 2349 Upper QB ALA 61 - QD2 LEU 62 3.60 18 1.27 1.89 ++++++ +++++++ +*+++ peak 8209 Upper QB ALA 61 - HB2 LEU 65 4.12 15 0.61 2.20 + +++ ++ ++ ++ +++*+ peak 8142 Upper QB ALA 61 - HZ PHE 92 5.20 7 0.18 0.70 ++ + + +* + peak 171 HZ PHE 92 - HB3 PRO 112 Upper QB ALA 61 - QD PHE 392 3.23 20 4.29 4.89 +++++++++++++++++*++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 3.00 3.74 ++++++++++++++++*+++ peak 8146 Upper H LEU 62 - HG LEU 62 3.15 17 0.80 1.56 ++* ++++++++++++++ peak 884 Upper H LEU 62 - QD2 LEU 62 3.96 6 0.19 0.50 + + + ++ * peak 888 Upper H LEU 62 - HG2 GLN 64 5.50 9 0.32 0.81 +++ + + +* + + peak 879 Upper HB3 LEU 62 - QB ALA 116 3.64 20 1.58 3.32 ++++++++++++++*+++++ peak 8139 Upper HG LEU 62 - HG3 PRO 112 4.13 9 0.37 1.33 ++ + +* + ++ + peak 3779 Upper QD1 LEU 62 - H LEU 65 5.40 15 0.73 1.30 ++ +*++++ +++ + +++ peak 2306 Upper QD1 LEU 62 - HG3 GLU 113 4.54 6 0.19 1.11 + * + ++ + peak 3835 Upper QD1 LEU 62 - H ALA 115 4.79 14 0.66 1.49 + + +++ ++ +++*+++ peak 1288 Upper QD1 LEU 62 - H ALA 116 4.44 7 0.23 0.63 + + + *++ + peak 978 Upper QD1 LEU 62 - H ALA 117 5.09 16 0.71 1.43 + ++++++++*++++++ peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.34 19 1.13 2.03 +++++++++++ +++++++* peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 2.35 3.93 ++++++*+++++++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 10 0.32 1.15 ++ +++ +* + ++ peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 20 1.33 2.23 ++++++++*+++++++++++ peak 8267 Upper QD2 LEU 62 - HG LEU 65 5.06 9 0.39 1.17 ++ + + + ++* + peak 2375 Upper QD2 LEU 62 - QD2 LEU 65 3.81 19 1.12 1.87 ++++++ +++++++++*+++ peak 2374 Upper QD2 LEU 62 - HA VAL 88 5.12 7 0.17 0.48 + + * + ++ + peak 3141 Upper QD2 LEU 62 - H LEU 89 4.25 20 1.24 2.35 ++++++*+++++++++++++ peak 8218 Upper QD2 LEU 62 - H GLN 91 5.15 20 1.49 1.95 +++++++++++++++++++* peak 2312 Upper QD2 LEU 62 - H LEU 93 5.00 19 1.57 2.13 ++*++++++++++++++++ peak 1173 QD2 LEU 62 - H LEU 393 Upper QD2 LEU 62 - HD3 PRO 112 3.44 19 1.08 1.63 ++++++*++++++++++++ peak 8213 Upper QD2 LEU 62 - QB ALA 115 4.41 18 1.08 2.00 ++++++ +++++++ +++*+ peak 1678 Upper QD2 LEU 62 - QB ALA 116 3.40 19 1.59 2.59 ++++++ +*+++++++++++ peak 8208 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 1.79 2.73 +++++++++++++++++++* peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 1.98 3.00 ++++++++++++++*+++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 1.81 2.98 ++++++++++++++*+++++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.95 20 0.97 1.78 +++++++++++++++++++* peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 1.98 2.90 ++++++*+++++++++++++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 19 0.88 1.97 +++ +++++++++++++++* peak 8268 Upper H ALA 63 - QG1 VAL 88 4.12 10 0.34 0.86 ++ ++*+ + + + + peak 8205 Upper H ALA 63 - HG2 GLU 113 4.49 20 2.43 3.83 +++++++++++++++++++* peak 896 Upper QB ALA 63 - HE22 GLN 64 5.50 15 0.50 1.07 ++ ++ ++++++++++* peak 926 Upper QB ALA 63 - HG2 GLU 113 4.83 20 1.84 3.38 +++++++++++++++++++* peak 3841 Upper HA GLN 64 - HE22 GLN 64 5.50 10 0.31 0.60 + + ++*++++ + peak 394 Upper QD1 LEU 65 - H LEU 89 3.70 19 0.62 1.10 ++ +++++++*+++++++++ peak 1132 Upper QD1 LEU 65 - HG3 PRO 112 3.34 18 1.24 1.90 +++++++++++++++* + + peak 3776 QD2 LEU 89 - HG3 PRO 112 Upper QD1 LEU 65 - H GLU 113 5.14 20 1.12 1.92 +++++++++++++*++++++ peak 1273 Upper QD2 LEU 65 - QD PHE 92 4.14 19 0.87 1.42 +++++++++++++*+++++ peak 2402 Upper QD2 LEU 65 - QB ALA 95 3.87 10 0.40 0.84 + + * ++++++ + peak 8295 Upper H ARG 66 - QG ARG 66 3.60 9 0.21 0.39 + +++* ++ + + peak 942 Upper QG ARG 66 - HG3 GLU 67 5.50 7 0.27 0.67 + ++ * + + + peak 2459 Upper QG ARG 66 - QG2 VAL 88 3.52 17 0.54 0.83 ++++++++++ +++++ + * peak 3144 Upper H LEU 68 - QD2 LEU 68 3.55 10 0.34 0.80 + +++ *++ ++ + peak 970 Upper QD1 LEU 68 - H CYS 69 4.56 6 0.15 0.45 + + + + + * peak 2515 Upper QD2 LEU 68 - H CYS 69 3.83 19 0.70 1.22 ++++++++++++ ++++++* peak 2535 Upper H CYS 69 - QG2 VAL 88 3.66 20 1.13 1.84 +*++++++++++++++++++ peak 8235 Upper HA CYS 69 - HZ3 TRP 72 4.53 12 0.35 0.72 ++ +++ + + ++++ * peak 213 Upper HD2 ARG 70 - H GLN 71 4.77 15 0.44 0.91 ++*++++ + + ++++++ peak 274 Upper HD3 ARG 70 - H GLN 71 4.48 8 0.26 0.70 + *+ + + + ++ peak 273 Upper HD3 ARG 70 - H ARG 74 5.50 11 0.31 0.53 + ++* ++ ++ + ++ peak 2605 Upper HD1 TRP 72 - QD2 LEU 73 4.25 12 0.32 0.60 +++ *++ +++ ++ + peak 227 Upper HE1 TRP 72 - HB3 LEU 86 5.50 20 0.99 1.18 ++++++*+++++++++++++ peak 255 Upper HE1 TRP 72 - QD1 LEU 86 5.39 8 0.25 0.67 ++ ++ + ++* peak 260 Upper HZ2 TRP 72 - HB3 LEU 86 4.40 12 0.36 0.63 ++ ++++ + *++ + + peak 191 Upper HZ2 TRP 72 - QD2 LEU 86 4.44 20 1.25 2.07 +++++++*++++++++++++ peak 193 Upper H LEU 73 - HD3 PRO 75 5.50 13 0.32 0.49 + +++++ ++ +++*+ peak 2703 Upper HB3 LEU 73 - H MET 83 5.50 18 0.57 0.82 *++ +++++++++ ++++++ peak 1075 Upper QD1 LEU 73 - HA MET 83 4.87 11 0.32 0.56 ++ ++++ + + +* + peak 1924 Upper QD1 LEU 73 - HG LEU 84 4.38 8 0.22 1.02 + ++ + +++* peak 2993 Upper QD2 LEU 73 - QB LEU 84 4.08 8 0.34 1.25 ++ + ++ ++ * peak 2938 Upper HD3 PRO 75 - HG LEU 84 3.73 15 0.51 0.94 +++++ ++ ++*+ ++++ peak 2677 Upper H GLU 81 - QE MET 83 5.50 14 0.34 0.45 +*+ ++++++ + ++++ peak 1649 Upper H GLN 82 - QG GLN 82 3.62 6 0.18 0.39 +*+ ++ + peak 1056 Upper QB LEU 84 - QD1 LEU 87 3.12 6 0.25 1.25 *+ + + + + peak 3117 Upper H GLU 85 - QD2 LEU 86 4.42 10 0.29 0.85 + ++ + + +++*+ peak 1090 Upper HA LEU 86 - QD2 LEU 86 2.87 11 0.25 0.52 *+ ++ ++++++ + peak 827 Upper QD2 LEU 86 - H LEU 87 4.31 10 0.24 0.60 + ++ + + +++*+ peak 1105 Upper H VAL 88 - H GLU 90 4.89 10 0.27 0.48 + ++ ++ + + ++* peak 367 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 1.64 3.76 +++++++++++++++++++* peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 2.09 2.84 +++++++++++++++++++* peak 8207 Upper QG2 VAL 88 - HG3 PRO 112 4.28 13 0.62 1.83 + + + ++++ + +*+++ peak 3778 Upper H LEU 89 - HB2 PHE 92 5.50 7 0.26 0.74 + + + ++*+ peak 473 Upper H LEU 89 - HG2 PRO 112 4.02 9 0.26 0.77 *+ + + + ++ ++ peak 1129 Upper H LEU 89 - HG3 PRO 112 4.67 20 0.98 1.50 +++++++++++++++++++* peak 3813 Upper QD1 LEU 89 - H SER 111 3.73 8 0.28 0.70 +* + + + +++ peak 1264 QD2 LEU 93 - H SER 111 Upper QD2 LEU 89 - QD PHE 92 4.17 19 1.06 1.56 ++ +++++++++++++*+++ peak 3200 Upper QD2 LEU 89 - H ALA 115 3.70 12 0.41 1.34 ++ ++ +++ ++ ++* peak 1287 Upper QD2 LEU 89 - QB ALA 115 2.89 7 0.43 2.07 ++ + ++ * + peak 1680 Upper HA GLN 91 - H ALA 95 5.50 17 0.48 1.10 ++ +++ ++ ++++++++*+ peak 1860 Upper HE21 GLN 91 - QB ALA 95 4.28 13 0.30 0.57 + +*++++ +++ +++ peak 1720 Upper HE22 GLN 91 - QB ALA 95 4.35 15 0.43 0.82 + +++ ++ +*+++++++ peak 1719 Upper QD PHE 92 - QD2 LEU 96 4.82 6 0.13 0.59 +++ * + + peak 153 Upper QD PHE 92 - QB ALA 361 3.23 20 4.40 4.95 +++++++++++++*++++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 1.85 3.38 +++++++++++++++++++* peak 8215 Upper QE PHE 92 - QD2 LEU 93 3.36 14 0.60 1.59 + +++++ + +++ +*++ peak 164 Upper QE PHE 92 - QB ALA 361 3.18 20 2.93 3.38 +++++++++++++*++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 1.46 2.70 ++++++++*+++++++++++ peak 8216 Upper HZ PHE 92 - QG1 VAL 119 3.72 7 0.30 1.08 + ++ * + + + peak 174 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 2.14 3.68 +++++++++++++++++++* peak 8306 Upper H LEU 93 - QD1 LEU 96 4.82 7 0.25 0.80 + + + *++ + peak 768 Upper HA LEU 93 - HE21 GLN 101 3.56 8 0.31 0.62 + + *+++ ++ peak 455 HA2 GLY 94 - HE21 GLN 101 Upper QD1 LEU 93 - QG GLN 105 3.37 6 0.19 0.48 + + ++ +* peak 3599 HB3 LEU 96 - HG2 GLN 101 Upper QD1 LEU 93 - H ALA 115 5.03 17 0.67 1.62 + ++ +++++*++++++++ peak 3299 Upper QD2 LEU 93 - QD1 LEU 96 3.05 9 0.39 1.11 + + + +++* ++ peak 3318 Upper HA2 GLY 94 - HB2 LEU 96 4.70 20 1.21 1.64 +++++++++++++++*++++ peak 3340 Upper QB ALA 95 - QD PHE 350 3.01 20 6.32 6.93 ++++++++++*+++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 4.62 5.30 +++*++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 19 1.61 2.06 ++++++++++++++++*++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 3.44 3.99 +++++++++++*++++++++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 2.79 3.50 ++++++++++++++*+++++ peak 8176 Upper H LEU 96 - H GLN 101 4.85 12 0.37 0.68 ++ +++ ++ *+ + + + peak 468 Upper H LEU 96 - HA GLN 101 4.86 13 0.49 1.21 ++ +++ ++ ++ + ++* peak 462 Upper HB2 LEU 96 - HA GLN 101 4.18 9 0.28 0.74 + + +++*+++ peak 3509 Upper HB2 LEU 96 - HG2 GLN 101 3.81 14 0.38 0.79 ++ +++ +++++*+++ peak 4096 Upper HB2 LEU 96 - HE21 GLN 359 4.41 20 1.93 2.90 ++*+++++++++++++++++ peak 849 HE21 GLN 59 - QB ALA 117 Upper HB3 LEU 96 - HA GLN 101 5.47 14 0.38 0.68 + + ++ * +++++++++ peak 3335 Upper HB3 LEU 96 - HE22 GLN 101 4.92 20 1.57 1.93 +++++++++++++*++++++ peak 1208 Upper HB3 LEU 96 - QD TYR 352 5.50 20 1.76 2.93 ++++++++++*+++++++++ peak 8340 Upper HB3 LEU 96 - HE21 GLN 359 4.94 20 2.99 8.12 +++++++++++++++++++* peak 851 Upper QD1 LEU 96 - HA VAL 104 5.50 14 0.38 0.65 + +++ ++ +++ ++*++ peak 3590 Upper QD1 LEU 96 - QB ALA 115 4.45 7 0.25 0.85 + + + + + +* peak 1679 Upper QD2 LEU 96 - HG2 PRO 97 4.44 20 0.97 1.49 +++++++++++++++++*++ peak 1748 Upper QD2 LEU 96 - HG3 PRO 97 5.50 12 0.37 0.87 + +++ + +++++*+ peak 3410 Upper QD2 LEU 96 - H ILE 100 4.86 15 0.60 1.17 + *++++ + ++++++++ peak 284 Upper QD2 LEU 96 - HB2 GLN 101 5.50 20 0.74 1.06 ++++++++++++*+++++++ peak 4060 Upper QD2 LEU 96 - HB3 GLN 101 5.50 19 0.75 1.17 +*+++++++++++++++++ peak 4064 Upper QD2 LEU 96 - QD TYR 352 3.68 20 1.83 2.72 +++++++++++++++++*++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 1.87 2.44 +++++++++++++++++*++ peak 8182 Upper HB2 PRO 97 - HB ILE 100 5.12 6 0.21 0.73 + + *++ + peak 3393 Upper HD2 PRO 97 - H ILE 100 4.01 13 0.27 0.40 +++ + * ++++++++ peak 245 HD3 PRO 98 - H ILE 100 Upper QB GLU 99 - HG12 ILE 100 3.63 13 0.44 1.12 ++ +++ ++ ++ + + +* peak 3476 Upper HG12 ILE 100 - QG1 VAL 119 3.90 20 1.28 2.07 +*++++++++++++++++++ peak 3953 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.56 2.43 ++++++++*+++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.65 2.42 ++++++++*+++++++++++ peak 8114 Upper HA GLN 101 - HE22 GLN 101 5.50 19 0.47 0.69 +++++++ +++++++++++* peak 477 Upper HA VAL 104 - QD2 LEU 118 4.96 11 0.28 0.58 ++ ++ ++ ++* ++ peak 3938 Upper QQG VAL 104 - HE21 GLN 107 3.77 7 0.22 0.54 * ++ ++ + + peak 1240 Upper H GLN 107 - HD3 PRO 109 4.57 6 0.17 0.49 + ++ +* + peak 529 Upper QB GLN 107 - H LEU 118 5.50 6 0.21 0.55 + * ++ ++ peak 3622 Upper HA PRO 109 - HG3 GLU 114 5.43 9 0.22 0.66 + *++ ++ + ++ peak 3862 Upper HD2 PRO 109 - QD2 LEU 118 4.62 11 0.25 0.83 ++ * +++ + ++ + + peak 3939 Upper HA PRO 112 - H ALA 116 4.49 8 0.37 1.67 + * ++ + ++ + peak 3805 Upper HB2 PRO 112 - QD1 LEU 362 4.16 13 0.64 2.17 + + ++ + + ++++++* peak 8265 Upper HB2 PRO 112 - QD2 LEU 362 3.95 19 0.79 1.88 +++++++*++++++++++ + peak 8264 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 1.70 3.44 +++++++++++++++++++* peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 1.94 2.82 +++++++++++++++++++* peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 18 0.98 2.13 +++++ +++++++++++ +* peak 8268 Upper H GLU 113 - H ALA 116 4.95 6 0.18 0.66 ++ + + + * peak 634 Upper H GLU 113 - QB ALA 116 5.02 7 0.20 0.75 ++ + +++ * peak 1271 Upper HG3 GLU 113 - QB ALA 116 4.51 17 1.02 1.64 +++++ ++ + +++++*+++ peak 3839 Upper H ALA 115 - QD2 LEU 118 4.57 10 0.27 0.51 + +++*+ +++ + peak 3917 Upper HA ALA 116 - HB VAL 119 3.56 15 0.82 1.73 ++ +++ ++* +++ ++++ peak 3960 Upper H ALA 117 - QG1 VAL 119 4.84 9 0.39 1.14 ++ * + + +++ + peak 1298 Upper H ALA 117 - HB2 ASP 120 4.69 20 0.81 1.34 ++++*+++++++++++++++ peak 1289 Upper QB ALA 117 - HB3 ASP 120 5.40 7 0.23 0.79 + + ++ + + * peak 1487 Upper H LEU 118 - QG2 VAL 119 4.48 6 0.28 1.34 + + *+ + + peak 8191 Upper QG2 VAL 119 - HG LEU 122 3.83 15 0.49 1.65 ++ +++ +++ +++ +++* peak 3955 Upper QG2 VAL 119 - QD ARG 123 3.99 9 0.27 0.84 ++ + + ++* + + peak 1756 Upper H ASP 120 - QD ARG 123 5.50 10 0.27 0.51 +++ +* +++ ++ peak 4042 Upper HA ASP 120 - QD ARG 123 3.62 9 0.27 0.54 * ++ +++ +++ peak 4027 Upper H GLY 121 - HB2 LEU 122 4.60 16 0.37 0.57 ++++*+++ ++++ + +++ peak 1319 Upper QB ALA 343 - HG LEU 368 3.84 11 0.45 1.12 + + +* ++ ++ ++ + peak 1528 Upper HG3 ARG 344 - HE1 TRP 372 5.50 18 0.47 0.98 +++++++++*++++ +++ + peak 263 Upper HG3 ARG 344 - HZ2 TRP 372 5.39 13 0.32 0.57 +++ ++ * + +++++ + peak 199 Upper H LEU 345 - HG LEU 345 3.23 11 0.34 0.88 * ++++++ ++ + + peak 686 Upper HA LEU 345 - H CYS 349 4.31 6 0.27 0.67 * + + + + + peak 759 Upper H ARG 346 - QD2 LEU 368 4.72 12 0.39 0.86 *+ ++ ++ + +++++ peak 2532 Upper HA ARG 346 - H PHE 350 4.81 10 0.29 0.59 + +++ +* + + + + peak 771 Upper QD PHE 347 - QD1 LEU 365 4.18 11 0.35 0.70 * + ++++++ ++ + peak 2398 Upper QD PHE 347 - H ARG 370 5.50 10 0.25 0.59 ++* + ++++ + + peak 97 Upper QD PHE 347 - QD1 LEU 387 3.95 14 0.52 1.04 ++ *++ ++++ +++ ++ peak 304 Upper QD PHE 347 - QG1 VAL 388 4.75 18 0.68 1.16 +++++++++++ +++++*+ peak 2761 Upper QD PHE 347 - QG2 VAL 388 4.17 14 0.73 1.24 ++ + ++ +++++*+ + + peak 3165 Upper QE PHE 347 - QD2 LEU 362 5.50 15 0.58 1.27 ++++++ ++++++ + +* peak 2310 Upper HZ PHE 347 - QD2 LEU 365 4.43 13 0.41 0.90 ++++ + ++++ +++* peak 291 Upper HZ PHE 347 - HA CYS 369 4.80 20 0.71 1.02 ++++*+++++++++++++++ peak 285 Upper HZ PHE 347 - QG1 VAL 388 4.46 9 0.35 0.71 + ++ +*+++ + peak 293 Upper HB2 PHE 350 - QB ALA 395 5.50 7 0.29 1.55 + + +++ +* peak 1714 Upper HB3 PHE 350 - QD1 LEU 368 4.72 8 0.26 0.76 + ++ ++ * ++ peak 2009 Upper HB3 PHE 350 - QB ALA 395 4.79 8 0.27 0.95 ++ ++ + ++ * peak 2008 Upper QD PHE 350 - HG LEU 365 4.36 18 0.68 1.35 +++++++++ ++++*++++ peak 283 Upper QD PHE 350 - QD1 LEU 365 4.23 11 0.32 0.65 + ++ + +*++++ + peak 284 Upper QD PHE 350 - QD1 LEU 368 3.16 10 0.33 1.33 +++ +* ++ + ++ peak 279 Upper QD PHE 350 - HA PHE 392 4.92 11 0.36 1.01 + + + + +++ ++ +* peak 3240 Upper QD PHE 350 - QB ALA 395 3.01 8 0.34 1.33 + + ++ +++ * peak 278 Upper QE PHE 350 - QD TYR 352 3.46 19 1.04 1.68 ++++++ ++++++*++++++ peak 60 Upper QE PHE 350 - H GLU 353 5.50 8 0.21 0.77 ++ + +* + + + peak 797 Upper QE PHE 350 - QG GLU 353 5.50 18 0.70 1.42 ++++++++* +++++++++ peak 2090 Upper QE PHE 350 - H LEU 362 4.64 8 0.25 0.60 + + + + + * ++ peak 78 Upper QE PHE 350 - HG LEU 365 5.07 18 0.88 2.09 +++++++++ ++++*++++ peak 270 Upper QE PHE 350 - QD1 LEU 365 4.74 15 0.58 1.15 + +++++ ++++*++ ++ peak 271 Upper QE PHE 350 - QD1 LEU 368 3.94 14 0.61 1.79 +++ ++* + + ++ ++++ peak 269 Upper H HIS 351 - HB2 GLN 364 5.50 20 1.01 2.05 ++++++++++*+++++++++ peak 786 Upper H HIS 351 - QB ALA 395 5.50 10 0.31 1.13 + + + + + ++++ * peak 787 Upper HA HIS 351 - QB ALA 395 3.68 20 1.35 1.87 ++++++++++++++++*+++ peak 1718 Upper HB2 HIS 351 - QG GLU 353 5.50 16 0.46 0.75 + ++ +++++ ++++*+++ peak 2048 HB2 HIS 51 - HB2 GLU 360 Upper HB2 HIS 351 - QG GLU 353 5.50 16 0.46 0.75 + ++ +++++ ++++*+++ peak 2086 Upper HB3 HIS 351 - QG GLU 353 5.41 8 0.37 1.21 + + +++++ * peak 2043 Upper HE1 HIS 351 - HB2 GLU 353 4.47 7 0.22 1.01 + + +++* + peak 259 Upper HE1 HIS 351 - HB3 GLU 353 5.30 6 0.25 0.87 + + ++* + peak 260 Upper H TYR 352 - HG LEU 396 5.22 20 1.05 2.23 +++++++++++++++++++* peak 793 Upper HA TYR 352 - QB ALA 395 3.94 17 0.94 2.00 ++ +++++++++ ++*++ + peak 8166 Upper QB TYR 352 - QD2 LEU 396 4.42 15 0.54 1.01 +++ +++++++++* + + peak 8179 Upper QB TYR 352 - HD3 PRO 397 5.50 15 0.34 0.57 +++ +++*++++++ ++ peak 3382 Upper QD TYR 352 - QG GLU 354 4.93 16 0.49 0.87 +++++ *++++ ++++ ++ peak 2191 Upper QD TYR 352 - H ALA 361 4.86 9 0.24 0.55 + + + *++++ + peak 870 Upper QD TYR 352 - QB ALA 361 2.84 20 1.65 2.22 +++++++++++++++*++++ peak 244 Upper QD TYR 352 - HG3 PRO 397 5.50 10 0.32 0.89 ++ ++++++ + * peak 3432 Upper QD TYR 352 - HD2 PRO 397 3.20 12 0.57 1.29 ++ ++++++ + + * + peak 40 Upper QD TYR 352 - HD3 PRO 397 3.70 13 0.56 1.20 ++++++++* + + + + peak 241 Upper QD TYR 352 - QG2 VAL 419 3.77 20 1.54 2.18 ++++++++++++++++*+++ peak 250 Upper QE TYR 352 - QG2 THR 356 4.13 13 0.51 1.21 +++ ++*++ +++ + + peak 236 Upper QE TYR 352 - H ALA 361 4.72 20 2.03 2.40 +++++++*++++++++++++ peak 871 Upper QE TYR 352 - QE PHE 392 5.05 10 0.42 1.10 + ++ + + +++* + peak 109 Upper QE TYR 352 - HZ PHE 392 4.30 20 1.66 2.46 +++++++++++*++++++++ peak 115 Upper HB2 GLU 353 - HB THR 356 4.06 6 0.24 1.07 + ++ ++ * peak 2102 HB THR 356 - HB3 GLU 360 Upper HB3 GLU 353 - QG2 THR 356 4.42 8 0.19 0.49 + ++ + * +++ peak 2081 Upper QG GLU 353 - QB ALA 355 3.51 19 0.68 0.98 +++++++++*+++++++++ peak 1710 Upper QG GLU 354 - QD ARG 423 4.05 17 0.72 1.43 ++++++++++++++++ * peak 4028 Upper QB ALA 355 - HB THR 356 4.14 13 0.48 1.09 +++ +++++ ++* ++ peak 8150 Upper HB THR 356 - HG2 GLU 360 4.22 18 0.96 1.99 +++++*++++++++ + +++ peak 2104 Upper QG2 THR 356 - H ALA 361 4.57 16 0.52 1.10 ++++ +*+++++ ++++ + peak 894 Upper QG2 THR 356 - HE22 GLN 364 4.65 7 0.25 0.98 ++ * +++ + peak 1770 Upper H GLY 357 - H GLU 360 5.50 11 0.41 1.31 ++ + +++ ++ ++* peak 398 Upper H GLY 357 - HG3 GLU 360 5.50 10 0.27 0.88 + + +++ + + *+ + peak 824 Upper HA2 GLY 357 - HE21 GLN 359 5.50 6 0.19 0.92 ++ *++ + peak 845 HE21 GLN 359 - HA ALA 417 Upper HA PRO 358 - QB ALA 361 4.02 9 0.34 1.31 + + + + +*++ + peak 1605 Upper HA PRO 358 - H LEU 362 5.50 12 0.50 1.38 + + ++++ + +*++ + peak 875 Upper HA PRO 358 - HZ PHE 392 4.37 10 0.50 1.44 *+ +++ +++++ peak 116 Upper HA PRO 358 - QB ALA 416 5.20 8 0.27 0.96 *+ ++ + + ++ peak 1625 Upper HB2 PRO 358 - H ALA 417 4.89 20 1.77 2.48 *+++++++++++++++++++ peak 1290 Upper HB2 PRO 358 - H VAL 419 5.50 15 0.78 1.48 +*++++ +++++++ ++ peak 2171 Upper HB3 PRO 358 - HE22 GLN 359 4.68 13 0.42 1.49 +++++++ + + +*++ peak 8254 HB3 PRO 358 - QD PHE 392 Upper HB3 PRO 358 - HZ PHE 392 3.61 13 0.55 1.45 +++ +++ + + +*++ + peak 170 Upper HB3 PRO 358 - HA ALA 416 3.71 16 1.03 1.77 +++++++ +++++*+ ++ peak 8252 Upper HB3 PRO 358 - QB ALA 416 3.67 17 0.91 1.88 +++ ++++ +++++*++ ++ peak 2138 Upper HB3 PRO 358 - QB ALA 416 3.43 6 0.18 0.69 *+ +++ + peak 1620 QB GLN 359 - QB ALA 416 HB2 PRO 412 - QB ALA 416 Upper HG2 PRO 358 - HZ PHE 392 3.74 9 0.25 0.97 +++ + + * ++ + peak 169 Upper HG2 PRO 358 - H ASP 420 3.27 13 0.35 0.72 ++ ++++ + + *++ + + peak 805 HB VAL 419 - H ASP 420 Upper HG2 PRO 358 - HB2 ASP 420 4.93 7 0.24 0.73 +* +++ + + peak 1489 HB VAL 419 - HB2 ASP 420 Upper HG2 PRO 358 - HB3 ASP 420 3.92 20 1.27 2.23 +*++++++++++++++++++ peak 1486 Upper HD2 PRO 358 - HE21 GLN 359 5.50 19 1.07 2.06 ++++*++++++++++++++ peak 846 Upper H GLN 359 - H LEU 362 5.50 8 0.31 0.81 + + + + +* + + peak 161 Upper H GLN 359 - HB2 LEU 362 4.88 19 0.96 1.69 ++++++++++ +++*+++++ peak 838 Upper H GLN 359 - QD1 LEU 362 4.96 11 0.47 1.60 + ++ + + +*++ ++ peak 8308 Upper HA GLN 359 - HE22 GLN 359 4.59 11 0.47 1.17 + *+ + + ++++++ peak 867 Upper QB GLN 359 - H LEU 362 5.01 11 0.30 0.71 +++*++ + ++ + + peak 2214 Upper QB GLN 359 - H ALA 363 4.06 17 0.85 1.66 +++++*++++ ++++ +++ peak 897 Upper QB GLN 359 - QB ALA 416 3.12 12 0.57 1.54 ++ *++ ++ ++++ + peak 8137 HB2 PRO 412 - QB ALA 416 Upper HG2 GLN 359 - QB ALA 416 4.09 6 0.42 1.66 +* +++ + peak 2206 Upper HG3 GLN 359 - QB ALA 416 3.59 6 0.31 1.45 ++ + + + * peak 1622 Upper HE21 GLN 359 - QD1 LEU 362 4.94 9 0.39 1.62 + +++ +++ *+ peak 852 Upper HE22 GLN 359 - HA ALA 417 5.50 8 0.43 1.30 ++++ * + + + peak 868 Upper HE22 GLN 359 - QB ALA 417 4.63 19 1.16 2.36 +++++++*+++ ++++++++ peak 855 Upper HE22 GLN 359 - H ASP 420 5.50 8 0.27 0.61 ++++++* + peak 628 HZ PHE 392 - H ASP 420 Upper H GLU 360 - HG2 GLU 360 3.52 8 0.24 0.73 + +*+ + + + + peak 860 H GLU 360 - HG3 GLU 360 Upper H GLU 360 - QB ALA 363 4.44 15 0.91 1.91 + + +++++++ *+++++ peak 863 Upper HA GLU 360 - H ALA 363 4.30 6 0.21 0.99 + + * ++ + peak 389 Upper HA GLU 360 - QB ALA 363 3.67 6 0.25 1.16 ++ * ++ + peak 2225 Upper HB2 GLU 360 - QB ALA 361 3.58 18 0.75 1.67 +++++*+++++++ + ++++ peak 1607 Upper HB3 GLU 360 - HE22 GLN 364 5.27 8 0.24 0.76 + * +++ ++ + peak 925 Upper HG3 GLU 360 - QB ALA 361 4.85 11 0.50 1.50 + + + ++ + +++ +* peak 1606 Upper HG3 GLU 360 - HE21 GLN 364 3.84 8 0.25 0.86 ++ + + *+ + + peak 914 Upper HG3 GLU 360 - HE22 GLN 364 4.71 8 0.23 1.02 +* + +++ + + peak 2237 Upper H ALA 361 - H ALA 363 3.31 18 0.86 1.70 ++++++++*+++ ++++++ peak 178 Upper HA ALA 361 - HG3 GLN 364 4.32 7 0.23 1.21 +*+ + ++ + peak 2349 Upper QB ALA 361 - QD2 LEU 362 3.60 18 1.36 2.16 ++++++++ +*++++++++ peak 8209 Upper QB ALA 361 - HB2 LEU 365 4.12 14 0.59 2.10 ++ ++++ +*+++ +++ peak 8142 Upper H LEU 362 - HG LEU 362 3.15 15 0.78 1.63 ++++ *+++ ++++++ + peak 884 Upper H LEU 362 - QD1 LEU 362 3.84 7 0.20 0.61 + + +*++ + peak 889 Upper H LEU 362 - QD2 LEU 362 3.96 10 0.22 0.47 ++*++ + ++ ++ peak 888 Upper H LEU 362 - HG2 GLN 364 5.50 9 0.28 0.82 +++ ++ + +* + peak 879 Upper HB3 LEU 362 - QB ALA 416 3.64 19 1.37 2.96 +++++++*+++++++++++ peak 8139 Upper HG LEU 362 - HG3 PRO 412 4.13 13 0.62 1.30 ++++ + ++++ ++* + peak 3779 Upper QD1 LEU 362 - H LEU 365 5.40 19 0.88 1.77 ++++++ +++++++++*+++ peak 2306 Upper QD1 LEU 362 - H ALA 415 4.79 15 0.62 1.34 +++++ * ++++ ++++ + peak 1288 Upper QD1 LEU 362 - H ALA 416 4.44 8 0.27 1.03 + + + * + ++ + peak 978 Upper QD1 LEU 362 - HA ALA 416 5.50 8 0.32 1.23 + + + * ++ + + peak 3885 Upper QD1 LEU 362 - H ALA 417 5.09 15 0.63 1.20 ++ +++++++ +++++* peak 1299 Upper QD2 LEU 362 - HB2 LEU 365 5.01 6 0.21 1.31 + ++ + + * peak 2366 Upper QD2 LEU 362 - HG LEU 365 5.06 8 0.35 1.59 + ++ + + ++ * peak 2375 Upper QD2 LEU 362 - QD2 LEU 365 3.81 19 1.02 1.54 ++++*+++++++++++ +++ peak 2374 Upper QD2 LEU 362 - H LEU 389 4.25 20 1.06 1.66 ++++++++++++++++++*+ peak 8218 Upper QD2 LEU 362 - H GLN 391 5.15 19 1.29 1.96 +++++++++++++++++*+ peak 2312 Upper QD2 LEU 362 - H LEU 393 5.00 19 1.57 2.27 +++++++++++++++++*+ peak 1173 H LEU 93 - QD2 LEU 362 Upper QD2 LEU 362 - HD3 PRO 412 3.44 20 0.91 1.57 ++++++++++++++++++*+ peak 8213 Upper QD2 LEU 362 - QB ALA 415 4.41 17 1.24 1.91 +++++++ *+++++++++ peak 1678 Upper QD2 LEU 362 - QB ALA 416 3.40 20 1.64 2.70 ++++++++++++++++++*+ peak 8208 Upper H ALA 363 - QG1 VAL 388 4.12 11 0.28 0.67 ++ ++ *+ ++ + + + peak 8205 Upper H ALA 363 - HG2 GLU 413 4.49 20 2.01 2.74 ++++++++++++++++++*+ peak 896 Upper QB ALA 363 - HE22 GLN 364 5.50 10 0.32 0.86 ++ +++*++ ++ peak 926 Upper QB ALA 363 - HA GLU 413 5.05 8 0.25 0.76 ++ ++* ++ + peak 1696 HA GLU 413 - QB ALA 417 Upper QB ALA 363 - HG2 GLU 413 4.83 19 1.59 2.45 *++++++++++++++++++ peak 3841 Upper HA GLN 364 - HE22 GLN 364 5.50 11 0.31 0.70 *++ ++ +++ + ++ peak 394 Upper HB3 LEU 365 - H PHE 392 4.60 6 0.23 0.83 + + + ++* peak 1168 Upper QD1 LEU 365 - H LEU 389 3.70 19 0.70 1.26 ++++++++++ ++++++++* peak 1132 Upper QD1 LEU 365 - HG3 PRO 412 3.34 17 1.10 1.70 +++*+++++++++++ ++ peak 3776 QD2 LEU 389 - HG3 PRO 412 Upper QD1 LEU 365 - H GLU 413 5.14 19 1.01 1.70 +++++++++++++++++*+ peak 1273 Upper QD2 LEU 365 - QD PHE 392 4.14 18 0.97 1.36 ++++++++++++*+++ ++ peak 2402 Upper QD2 LEU 365 - QB ALA 395 3.87 10 0.37 1.56 +++ ++ ++ + + * peak 8295 Upper H ARG 366 - QG ARG 366 3.60 6 0.16 0.36 * + ++++ peak 942 Upper QG ARG 366 - HG3 GLU 367 5.50 6 0.21 0.77 ++ * + + + peak 2459 Upper QG ARG 366 - QG2 VAL 388 3.52 11 0.38 0.91 ++ + * ++ ++++ + peak 3144 Upper H LEU 368 - QD2 LEU 368 3.55 9 0.27 0.74 + + ++ *+ +++ peak 970 Upper QD2 LEU 368 - H CYS 369 3.83 20 0.70 1.20 +++++++*++++++++++++ peak 2535 Upper H CYS 369 - QG2 VAL 388 3.66 19 0.96 1.43 +++++++*++++++++ +++ peak 8235 Upper HA CYS 369 - HZ3 TRP 372 4.53 11 0.31 0.79 + ++ + +* +++ ++ peak 213 Upper HB3 CYS 369 - HB3 LEU 373 4.56 6 0.31 1.23 + * +++ + peak 8275 Upper HD2 ARG 370 - H GLN 371 4.77 9 0.28 0.65 ++ ++ *+++ + peak 274 Upper HD3 ARG 370 - H GLN 371 4.48 7 0.32 1.66 + + +*+ ++ peak 273 Upper HD3 ARG 370 - H ARG 374 5.50 9 0.25 0.63 + ++*+ +++ + peak 2605 Upper H TRP 372 - QD2 LEU 373 5.50 6 0.19 0.44 + + +++ * peak 1341 Upper HD1 TRP 372 - QD2 LEU 373 4.25 11 0.29 0.65 + + +* +++ +++ + peak 227 Upper HE1 TRP 372 - HB3 LEU 386 5.50 20 0.99 1.42 ++*+++++++++++++++++ peak 255 Upper HE1 TRP 372 - QD1 LEU 386 5.39 7 0.23 0.67 ++ + + +* + peak 260 Upper HZ2 TRP 372 - HB3 LEU 386 4.40 12 0.38 0.81 + * + + ++ ++ ++ ++ peak 191 Upper HZ2 TRP 372 - QD2 LEU 386 4.44 19 1.16 1.84 ++ ++*++++++++++++++ peak 193 Upper H LEU 373 - HD3 PRO 375 5.50 9 0.22 0.62 + + + + * ++++ peak 2703 Upper HB3 LEU 373 - H MET 383 5.50 20 0.63 0.88 ++++++++*+++++++++++ peak 1075 Upper QD1 LEU 373 - HA MET 383 4.87 11 0.30 0.59 ++ +* ++ + ++ ++ peak 1924 Upper QD1 LEU 373 - HG LEU 384 4.38 7 0.26 0.96 + + *+ + + + peak 2993 Upper QD2 LEU 373 - QB LEU 384 4.08 9 0.34 0.82 + + + +*+ + + + peak 2938 Upper HD3 PRO 375 - HG LEU 384 3.73 14 0.53 1.87 + ++++++++ *+ + + + peak 2677 Upper HG2 GLU 376 - QG1 VAL 377 3.29 7 0.37 1.33 + + +* ++ + peak 2779 Upper H VAL 377 - HG3 ARG 378 5.50 7 0.13 0.40 + + +* ++ + peak 2832 Upper HB VAL 377 - H ARG 378 3.67 7 0.18 0.55 + * ++ ++ + peak 1024 Upper HB VAL 377 - HB3 ARG 378 5.01 7 0.22 0.67 + + *+ ++ + peak 2776 Upper HB VAL 377 - HG2 ARG 378 3.89 7 0.12 0.41 + + ++ ++ * peak 2775 Upper QG2 VAL 377 - HB3 ARG 378 3.81 6 0.16 0.55 + + + ++ * peak 1729 Upper QG2 VAL 377 - H SER 379 5.44 7 0.19 0.58 + + ++ ++ * peak 2766 Upper HD3 ARG 378 - HA MET 383 5.50 6 0.24 0.32 + + + *+ + peak 2812 Upper H GLU 381 - QE MET 383 5.50 12 0.30 0.42 ++ ++* + +++ + ++ peak 1649 Upper QB LEU 384 - QD1 LEU 387 3.12 6 0.26 1.01 + ++ *+ + peak 3117 Upper H GLU 385 - QD2 LEU 386 4.42 9 0.30 0.94 +*+ ++ + +++ peak 1090 Upper HA LEU 386 - QD2 LEU 386 2.87 11 0.28 0.85 ++* + ++ ++ ++ + peak 827 Upper HA LEU 386 - HB2 LEU 389 4.78 6 0.17 0.64 + + *+ + + peak 1888 Upper QD2 LEU 386 - H LEU 387 4.31 8 0.22 0.66 + + ++ + ++* peak 1105 Upper H VAL 388 - H GLU 390 4.89 8 0.27 0.69 ++ + + ++ + * peak 367 Upper QG2 VAL 388 - HG2 PRO 412 3.54 7 0.18 0.65 + + ++ + + * peak 3149 Upper QG2 VAL 388 - HG3 PRO 412 4.28 14 0.64 1.34 + ++ + ++++ +++++* peak 3778 Upper H LEU 389 - HB2 PHE 392 5.50 7 0.25 1.06 + ++ + + +* peak 473 Upper H LEU 389 - HG2 PRO 412 4.02 6 0.20 0.76 +* + +++ peak 1129 Upper H LEU 389 - HG3 PRO 412 4.67 19 0.89 1.45 +++++++++++++++*+++ peak 3813 Upper QD1 LEU 389 - H SER 411 3.73 9 0.29 0.70 + + + + *++ ++ peak 1264 QD2 LEU 393 - H SER 411 Upper QD2 LEU 389 - QD PHE 392 4.17 19 0.96 2.00 ++++++++++ ++++++++* peak 3200 Upper QD2 LEU 389 - H ALA 415 3.70 11 0.52 2.03 +++ + + + +++ +* peak 1287 Upper QD2 LEU 389 - QB ALA 415 2.89 9 0.50 2.11 + + + + ++* ++ peak 1680 Upper HA GLN 391 - H ALA 395 5.50 17 0.57 1.15 ++++++ + + ++++++++* peak 1860 Upper HE21 GLN 391 - QB ALA 395 4.28 14 0.45 0.96 ++++++ + ++++++ * peak 1720 Upper HE22 GLN 391 - QB ALA 395 4.35 15 0.53 1.10 ++ +++ + +++++++*+ peak 1719 Upper QD PHE 392 - QD2 LEU 396 4.82 8 0.23 0.69 + + +* + + + + peak 153 Upper QE PHE 392 - QD2 LEU 393 3.36 10 0.39 1.22 + + + ++ * +++ + peak 164 Upper HZ PHE 392 - QG1 VAL 419 3.72 10 0.42 1.21 + ++++ * ++ ++ peak 174 Upper H LEU 393 - QD1 LEU 396 4.82 7 0.32 0.98 * ++ + + ++ peak 768 Upper HA LEU 393 - HE21 GLN 401 3.56 7 0.25 0.71 + ++ ++ + * peak 455 HA2 GLY 394 - HE21 GLN 401 Upper QD1 LEU 393 - H ALA 415 5.03 12 0.46 1.15 +* +++ ++ +++ + + peak 3299 Upper QD2 LEU 393 - QD1 LEU 396 3.05 7 0.20 0.76 + ++ + + * + peak 3318 Upper QD2 LEU 393 - HD3 PRO 409 4.15 8 0.27 0.95 + + + + + + * + peak 3276 Upper HA2 GLY 394 - HB2 LEU 396 4.70 19 1.13 1.71 +++++++++++++++*+++ peak 3340 Upper H LEU 396 - QG2 ILE 400 4.64 9 0.44 1.54 ++ + + * ++ ++ peak 1673 Upper H LEU 396 - QD1 ILE 400 4.92 8 0.33 1.10 + ++ +++ *+ peak 3487 Upper H LEU 396 - H GLN 401 4.85 18 0.64 1.38 ++*++++ +++++++++ ++ peak 468 Upper H LEU 396 - HA GLN 401 4.86 16 0.77 1.47 +++++++ + ++++++ +* peak 462 Upper HB2 LEU 396 - HA GLN 401 4.18 8 0.23 1.28 +++ ++ +* + peak 3509 Upper HB2 LEU 396 - HG2 GLN 401 3.81 8 0.27 0.81 ++ + + ++* + peak 4096 Upper HB3 LEU 396 - HA GLN 401 5.47 10 0.30 0.73 + ++*+ ++ ++ + peak 3335 Upper HB3 LEU 396 - HE22 GLN 401 4.92 19 1.28 1.96 ++++++++++++++ ++*++ peak 1208 Upper QD1 LEU 396 - HA VAL 404 5.50 11 0.34 0.77 + + ++ ++ + ++* + peak 3590 Upper QD2 LEU 396 - HG2 PRO 397 4.44 15 0.61 1.55 ++ +++++++++ +*+ + peak 1748 Upper QD2 LEU 396 - H ILE 400 4.86 9 0.33 1.22 ++ ++ + + +* + peak 284 Upper QD2 LEU 396 - HB2 GLN 401 5.50 15 0.52 0.96 ++ ++++*++++ ++ ++ peak 4060 Upper QD2 LEU 396 - HB3 GLN 401 5.50 18 0.69 1.10 +*++++ ++++++++ ++++ peak 4064 Upper HB2 PRO 397 - HB ILE 400 5.12 6 0.15 0.64 + ++ + * + peak 3393 Upper HD2 PRO 397 - H ILE 400 4.01 12 0.28 0.40 + ++ ++++ + + * ++ peak 245 HD3 PRO 398 - H ILE 400 Upper QB GLU 399 - HG12 ILE 400 3.63 11 0.46 1.21 +++ + + ++*+ + + peak 3476 Upper HG12 ILE 400 - QG1 VAL 419 3.90 20 1.20 1.90 +++++++++++++++*++++ peak 3953 Upper HA GLN 401 - HE22 GLN 401 5.50 17 0.42 0.61 ++++ *+++++++ +++++ peak 477 Upper HA VAL 404 - QD2 LEU 418 4.96 9 0.28 0.78 +++++*+ ++ peak 3938 Upper QQG VAL 404 - HE21 GLN 407 3.77 11 0.28 0.64 +++ +++ +++ *+ peak 1240 Upper H GLN 407 - HD3 PRO 409 4.57 9 0.25 0.54 ++ + *+ ++ ++ peak 529 Upper QB GLN 407 - H LEU 418 5.50 9 0.27 0.63 + + ++ + +++ * peak 3622 Upper HA PRO 409 - HG3 GLU 414 5.43 9 0.28 0.83 ++ +++ +* ++ peak 3862 Upper HA PRO 409 - H ALA 415 5.26 7 0.21 0.72 + + *+ + + + peak 573 Upper HA PRO 412 - H ALA 416 4.49 10 0.41 1.54 + +*+ + + + ++ + peak 3805 Upper HG3 GLU 413 - QB ALA 416 4.51 18 0.88 1.60 +++ ++++++++*+++ +++ peak 3839 Upper H ALA 415 - QD2 LEU 418 4.57 7 0.25 0.79 + ++ + + * + peak 3917 Upper HA ALA 416 - HB VAL 419 3.56 13 0.77 1.89 ++ ++*+ + + +++ + + peak 3960 Upper H ALA 417 - QG1 VAL 419 4.84 10 0.33 0.83 + + +++++ + *+ peak 1298 Upper H ALA 417 - HB2 ASP 420 4.69 19 0.79 1.42 +++++++*+++++ ++++++ peak 1289 Upper H LEU 418 - QG2 VAL 419 4.48 8 0.41 1.48 + + *+ + + ++ peak 8191 Upper HA LEU 418 - HG LEU 422 4.46 6 0.28 0.56 + ++ + +* peak 4004 Upper QG2 VAL 419 - HG LEU 422 3.83 12 0.33 0.63 ++ ++++ * + +++ + peak 3955 Upper QG2 VAL 419 - QD ARG 423 3.99 6 0.22 0.69 + + ++ + * peak 1756 Upper H ASP 420 - QD ARG 423 5.50 6 0.22 0.49 ++ + + * + peak 4042 Upper H GLY 421 - HB2 LEU 422 4.60 15 0.41 0.79 ++ ++++++ + * ++ +++ peak 1319 VdW C ASP 37 - H GLY 39 2.45 7 0.12 0.37 ++ + * + + + VdW HA3 GLY 39 - CD PRO 40 2.60 9 0.14 0.31 + *+ ++ + + + + VdW O ALA 43 - HB3 PHE 47 2.30 7 0.12 0.28 + + + *++ + VdW HG2 ARG 44 - CE3 TRP 72 2.60 9 0.16 0.29 *+ +++ + + + + VdW HB2 PHE 47 - CB LEU 68 2.60 6 0.17 0.45 + +*+ + + VdW HB2 PHE 47 - HB3 LEU 68 2.00 14 0.28 0.45 ++ + +++*+ ++++++ VdW CG PHE 47 - C PHE 47 2.90 9 0.19 0.23 + + + +++*+ + VdW CE1 PHE 47 - SG CYS 69 3.40 6 0.11 0.47 * ++ + + + VdW HE1 PHE 47 - HB3 LEU 65 2.00 7 0.15 0.67 + + + + + +* VdW CZ PHE 47 - CB LEU 87 3.20 17 0.31 0.42 ++++++*++++++++ ++ VdW CZ PHE 47 - HB2 LEU 87 2.60 18 0.40 0.63 +++* +++++++++++++ + VdW CZ PHE 47 - CB GLN 91 3.20 12 0.21 0.42 ++ *++ ++++ + + + VdW CZ PHE 47 - HB2 GLN 91 2.60 12 0.22 0.49 +++ + ++ ++*+ ++ VdW HZ PHE 47 - CB LEU 87 2.60 10 0.18 0.34 +* ++ +++ +++ VdW HZ PHE 47 - HB2 LEU 87 2.00 9 0.18 0.51 + + + + + + +* + VdW HZ PHE 47 - C LEU 87 2.50 17 0.35 0.54 *++++++++++++++ ++ VdW HZ PHE 47 - N VAL 88 2.45 6 0.17 0.61 + + +* + + VdW HA ARG 48 - OE1 GLN 91 2.30 7 0.15 0.45 *+ + + + ++ VdW CD1 PHE 50 - CB ALA 61 3.20 9 0.20 0.62 +*+ ++++++ VdW CE1 PHE 50 - CA ALA 61 3.20 7 0.11 0.40 *++ ++ + + VdW CE1 PHE 50 - HA ALA 61 2.60 6 0.10 0.55 + + + ++ * VdW CZ PHE 50 - HB3 GLU 60 2.60 6 0.10 0.40 + + *+ + + VdW CZ PHE 50 - C GLU 60 3.10 7 0.13 0.45 + + + + +* + VdW CZ PHE 50 - N ALA 61 3.05 7 0.12 0.33 ++ ++* + + VdW HZ PHE 50 - CB GLU 60 2.60 8 0.19 0.62 + + *+ ++ + + VdW HZ PHE 50 - HB3 GLU 60 2.00 9 0.18 0.61 ++ ++* + + ++ VdW HZ PHE 50 - CG GLU 60 2.60 8 0.17 0.49 + + + ++ * ++ VdW CE2 PHE 50 - N ALA 61 3.05 6 0.13 0.55 ++ ++* + VdW CE2 PHE 50 - CA ALA 61 3.20 9 0.17 0.56 *++++++ + + VdW CE2 PHE 50 - HA ALA 61 2.60 6 0.16 0.46 + * ++ + + VdW CD2 PHE 50 - CB ALA 61 3.20 8 0.19 0.78 ++ +++ * ++ VdW CG HIS 51 - C HIS 51 2.90 11 0.20 0.24 + +++ ++ + + ++* VdW N TYR 52 - O ALA 95 2.75 14 0.34 0.58 +++++* ++++++++ VdW H TYR 52 - O ALA 95 1.80 12 0.22 0.50 ++++++ + ++++* VdW CB TYR 52 - O GLY 57 2.90 18 0.41 0.84 ++++++++++++++++*+ VdW CB TYR 52 - O ALA 95 2.90 11 0.25 0.66 *+++++ ++++ + VdW HB2 TYR 52 - O GLY 57 2.30 14 0.44 0.98 ++ +++ + + ++++ *++ VdW HB3 TYR 52 - C ALA 95 2.50 6 0.14 0.49 + + ++ *+ VdW HB3 TYR 52 - O ALA 95 2.30 15 0.34 0.80 *+++++ ++++++ +++ VdW CG TYR 52 - C TYR 52 2.90 18 0.22 0.24 ++++++ ++++++*++ +++ VdW CG TYR 52 - O TYR 52 2.90 7 0.15 0.51 +*++ + + + VdW CG TYR 52 - C GLY 57 3.10 18 0.47 0.70 +++++*++++++++++++ VdW CG TYR 52 - O GLY 57 2.90 14 0.34 0.77 + + + +*+++++++ + + VdW CG TYR 52 - N PRO 58 3.05 8 0.17 0.41 *+ +++ + ++ VdW CD1 TYR 52 - C TYR 52 3.10 9 0.19 0.55 + ++ + + * + + + VdW CD1 TYR 52 - N GLY 57 3.05 7 0.19 0.73 + ++ *+ + + VdW CD1 TYR 52 - H GLY 57 2.55 6 0.16 1.06 + + *+ + + VdW CD1 TYR 52 - CA GLY 57 3.20 10 0.25 0.67 + *+ + ++ + + + + VdW CD1 TYR 52 - HA2 GLY 57 2.60 6 0.10 0.38 + + * + + + VdW CD1 TYR 52 - C GLY 57 3.10 12 0.33 0.92 + +++ ++++++ +* VdW CD1 TYR 52 - N PRO 58 3.05 6 0.17 0.64 + + + + + * VdW CD1 TYR 52 - CA PRO 58 3.20 7 0.21 0.67 + + +* + + + VdW CD1 TYR 52 - HA PRO 58 2.60 8 0.23 0.98 + + +* + + + + VdW CD1 TYR 52 - HA LEU 96 2.60 10 0.22 0.60 ++ + +* + + + + + VdW HD1 TYR 52 - N GLY 57 2.45 8 0.14 0.57 + *+ ++ + + + VdW HD1 TYR 52 - H GLY 57 1.95 8 0.17 0.73 + ++ * + + + + VdW HD1 TYR 52 - HA PRO 58 2.00 6 0.14 0.74 ++ + + + * VdW HD1 TYR 52 - C ALA 95 2.50 7 0.15 0.59 ++ + + * + + VdW CE1 TYR 52 - HA2 GLY 57 2.60 7 0.20 0.69 + ++ + * + + VdW CE1 TYR 52 - CD PRO 58 3.20 6 0.11 0.50 + + + + + * VdW CZ TYR 52 - HD3 PRO 58 2.60 11 0.30 0.66 *+ +++ + + + ++ + VdW CZ TYR 52 - CA GLY 357 3.20 7 0.19 0.73 + + + + ++ * VdW CZ TYR 52 - HA3 GLY 357 2.60 8 0.25 0.79 + * + + +++ + VdW CE2 TYR 52 - CA GLY 57 3.20 6 0.19 0.77 + + ++ + * VdW CE2 TYR 52 - CD PRO 58 3.20 7 0.12 0.48 * ++ ++ + + VdW CE2 TYR 52 - HD3 PRO 58 2.60 7 0.21 0.75 * ++ + + + + VdW CD2 TYR 52 - C TYR 52 3.10 9 0.19 0.83 ++ + + + + + + * VdW CD2 TYR 52 - N GLY 57 3.05 9 0.23 0.88 ++ + ++ * + + + VdW CD2 TYR 52 - CA GLY 57 3.20 8 0.18 0.71 ++ * ++ + + + VdW CD2 TYR 52 - C GLY 57 3.10 6 0.23 0.85 + + +*+ + VdW CD2 TYR 52 - N PRO 58 3.05 8 0.16 0.51 + ++ ++ * + + VdW CD2 TYR 52 - CA PRO 58 3.20 7 0.14 0.57 + ++ * + + + VdW CD2 TYR 52 - CA LEU 96 3.20 6 0.11 0.45 + + + * + + VdW CD2 TYR 52 - HA LEU 96 2.60 11 0.21 0.67 + ++ + ++ * + + ++ VdW HD2 TYR 52 - H GLY 57 1.95 6 0.15 0.71 ++ + * + + VdW HD2 TYR 52 - C ALA 95 2.50 8 0.18 0.56 + +* ++ + + + VdW HD2 TYR 52 - N LEU 96 2.45 6 0.12 0.47 + ++ + * + VdW OH TYR 52 - C THR 356 2.80 7 0.21 0.86 + + + +++* VdW OH TYR 52 - N GLY 357 2.75 10 0.26 0.85 + + + + + ++++ * VdW OH TYR 52 - CA GLY 357 2.90 8 0.21 0.69 + + + + + *+ + VdW C GLU 53 - N ALA 55 2.95 20 0.42 0.62 ++*+++++++++++++++++ VdW C GLU 53 - H ALA 55 2.45 19 0.56 0.82 +++ +++++++++*++++++ VdW O GLU 53 - C GLU 54 2.80 14 0.23 0.43 + *++ ++ +++ + ++++ VdW O GLU 53 - N ALA 55 2.75 20 0.63 1.13 ++*+++++++++++++++++ VdW O GLU 53 - N THR 56 2.75 15 0.34 0.66 + ++ +++ ++*++++++ VdW O GLU 53 - H THR 56 1.80 9 0.16 0.62 ++ ++*++ ++ VdW O ALA 55 - CD1 ILE 400 2.90 7 0.14 0.57 ++ ++ * + + VdW CG2 THR 56 - C THR 56 2.90 6 0.10 0.32 + ++ * + + VdW C THR 56 - HG2 PRO 358 2.50 7 0.15 0.66 + + + + +*+ VdW C THR 56 - NE2 GLN 359 2.95 7 0.15 0.62 + * ++++ + VdW O THR 56 - CG PRO 358 2.90 7 0.17 0.81 + * ++++ + VdW O THR 56 - HG2 PRO 358 2.30 9 0.32 0.96 + + + * ++++ + VdW O THR 56 - CD GLN 359 2.80 6 0.15 0.70 + + + *++ VdW N GLY 57 - HD2 PRO 358 2.45 8 0.19 0.76 + + + ++*+ + VdW CA GLY 57 - CD PRO 358 3.20 14 0.43 0.96 ++++*++ + +++++ + VdW CA GLY 57 - HD2 PRO 358 2.60 15 0.47 0.91 +++++++ + +*++++ + VdW CA GLY 57 - HD3 PRO 358 2.60 6 0.16 0.67 ++ +*+ + VdW CA GLY 57 - H GLN 359 2.55 8 0.18 0.67 * + + + ++ + + VdW HA3 GLY 57 - CD PRO 358 2.60 6 0.31 1.24 ++ +++ * VdW HA3 GLY 57 - HD3 PRO 358 2.00 6 0.23 1.02 ++ +++ * VdW HA3 GLY 57 - N GLN 359 2.45 7 0.19 0.68 + + * + +++ VdW HA3 GLY 57 - H GLN 359 1.95 9 0.28 0.86 + + + * ++++ + VdW C GLY 57 - CD PRO 358 3.10 6 0.11 0.48 ++ +++ * VdW C GLY 57 - HD2 PRO 358 2.50 6 0.18 0.87 ++ +++ * VdW C GLY 57 - CB GLN 359 3.10 7 0.19 0.84 + + * + +++ VdW C GLY 57 - HB2 GLN 359 2.50 8 0.35 1.31 + + * + ++++ VdW C GLY 57 - NE2 GLN 359 2.95 8 0.21 0.67 + * + + +++ + VdW O GLY 57 - CD GLN 359 2.80 6 0.19 1.01 + + + * + + VdW O GLY 57 - NE2 GLN 359 2.75 9 0.43 1.54 * + + + ++++ + VdW O GLY 57 - HE21 GLN 359 1.80 7 0.19 0.99 + + * + +++ VdW N PRO 58 - CD PRO 358 3.05 6 0.11 0.54 ++ +*+ + VdW N PRO 58 - HD2 PRO 358 2.45 6 0.24 0.96 ++ +*+ + VdW N PRO 58 - CB GLN 359 3.05 6 0.13 0.48 + + * + ++ VdW N PRO 58 - HB2 GLN 359 2.45 9 0.29 0.88 + + + * ++++ + VdW CD PRO 58 - CA GLY 357 3.20 10 0.36 1.17 ++ +++ ++ + * + VdW CD PRO 58 - HA3 GLY 357 2.60 7 0.33 1.49 ++ +++ *+ VdW CD PRO 58 - C GLY 357 3.10 6 0.14 0.62 ++ +++ * VdW CD PRO 58 - N PRO 358 3.05 6 0.13 0.61 ++ +*+ + VdW CD PRO 58 - CD PRO 358 3.20 6 0.26 1.11 ++ +*+ + VdW CD PRO 58 - HD2 PRO 358 2.60 6 0.34 1.40 ++ *++ + VdW CA PRO 58 - CB ALA 95 3.20 13 0.27 0.64 ++*++ + + ++++++ VdW CA PRO 58 - HB1 ALA 95 2.60 8 0.13 0.48 * ++ + ++ ++ VdW CA PRO 58 - HB2 GLN 359 2.60 6 0.12 0.32 ++ +*+ + VdW HA PRO 58 - CB ALA 95 2.60 11 0.30 0.97 +*++ + + +++++ VdW CB PRO 58 - CZ PHE 92 3.20 6 0.13 0.56 * + + + + + VdW CB PRO 58 - CB ALA 95 3.20 8 0.17 0.57 + +++ + + + * VdW CB PRO 58 - HB3 ALA 95 2.60 7 0.16 0.72 + +++ + * + VdW CB PRO 58 - HB2 GLN 359 2.60 6 0.17 0.72 ++ +*+ + VdW HB2 PRO 58 - CZ PHE 92 2.60 9 0.31 1.00 * + + + ++++ + VdW HB2 PRO 58 - HZ PHE 92 2.00 6 0.10 0.36 + + + *++ VdW HB2 PRO 58 - CB GLN 359 2.60 6 0.16 0.66 ++ +++ * VdW HB2 PRO 58 - HB2 GLN 359 2.00 6 0.16 0.76 ++ +*+ + VdW HB3 PRO 58 - CD1 LEU 96 2.60 7 0.18 0.79 + +*++++ VdW CG PRO 58 - HA3 GLY 357 2.60 6 0.11 0.45 ++ ++* + VdW CG PRO 58 - N GLU 360 3.05 6 0.12 0.41 + + + + + * VdW CG PRO 58 - CA GLU 360 3.20 6 0.14 0.57 + * + + + + VdW HG2 PRO 58 - N GLN 359 2.45 6 0.15 0.60 ++ +*+ + VdW HG2 PRO 58 - C GLN 359 2.50 8 0.18 0.65 + + + + ++ + * VdW HG2 PRO 58 - N GLU 360 2.45 8 0.18 0.58 * + + + +++ + VdW HG2 PRO 58 - CA GLU 360 2.60 7 0.21 0.79 + + * +++ + VdW HG2 PRO 58 - HA GLU 360 2.00 6 0.19 0.68 + * + +++ VdW HD2 PRO 58 - CA GLY 357 2.60 10 0.32 1.11 ++ +++ ++ + * + VdW HD2 PRO 58 - C GLY 357 2.50 6 0.19 0.97 ++ +++ * VdW HD2 PRO 58 - N PRO 358 2.45 6 0.26 1.03 ++ +*+ + VdW HD2 PRO 58 - CD PRO 358 2.60 6 0.35 1.41 ++ +*+ + VdW HD2 PRO 58 - HD2 PRO 358 2.00 6 0.28 1.20 ++ *++ + VdW HD2 PRO 58 - N GLN 359 2.45 6 0.12 0.53 + + + *+ + VdW HD3 PRO 58 - CA GLY 357 2.60 8 0.23 0.75 ++ +++ *+ + VdW HD3 PRO 58 - HA3 GLY 357 2.00 10 0.34 1.20 ++++++ + *+ + VdW C PRO 58 - CB GLN 359 3.10 9 0.17 0.53 + ++ + *++ + + VdW C PRO 58 - HB2 GLN 359 2.50 8 0.20 0.83 ++ ++ +*+ + VdW C PRO 58 - NE2 GLN 359 2.95 6 0.23 0.88 ++ *++ + VdW C PRO 58 - HE21 GLN 359 2.45 7 0.16 0.56 ++ +*++ + VdW O PRO 58 - C GLN 59 2.80 10 0.19 0.39 ++ +*++ + ++ + VdW O PRO 58 - N GLU 60 2.75 6 0.16 0.92 + + +* + + VdW O PRO 58 - CB ALA 95 2.90 8 0.29 1.00 + ++ +* + + + VdW O PRO 58 - HB1 ALA 95 2.30 7 0.23 0.98 + ++ +++ * VdW O PRO 58 - NE2 GLN 359 2.75 6 0.38 1.40 ++ +*+ + VdW N GLN 59 - HG2 PRO 358 2.45 6 0.10 0.49 *+ +++ + VdW N GLN 59 - N GLN 359 2.90 6 0.15 0.77 ++ +++ * VdW N GLN 59 - CA GLN 359 3.05 6 0.16 0.58 ++ + + + * VdW N GLN 59 - CB GLN 359 3.05 15 0.52 0.99 +++++++ + ++++++ * VdW N GLN 59 - HB2 GLN 359 2.45 10 0.28 1.05 +++++++ *+ + VdW N GLN 59 - HB3 GLN 359 2.45 9 0.41 1.25 + + + * ++++ + VdW N GLN 59 - O GLN 359 2.75 8 0.35 1.42 + + * + ++ + + VdW H GLN 59 - H GLN 359 1.90 6 0.32 1.28 ++ +++ * VdW H GLN 59 - CA GLN 359 2.55 6 0.15 0.59 * + + + + + VdW H GLN 59 - CB GLN 359 2.55 9 0.22 0.69 + + + +++++ * VdW H GLN 59 - C GLN 359 2.45 8 0.33 1.30 + + * + ++ + + VdW H GLN 59 - O GLN 359 1.80 6 0.21 0.81 + * + ++ + VdW CA GLN 59 - N GLN 359 3.05 6 0.13 0.53 + ++ * + + VdW CA GLN 59 - CB GLN 359 3.20 15 0.32 0.61 ++ ++++++++++++* VdW CA GLN 59 - HB3 GLN 359 2.60 9 0.35 0.93 + + + * ++++ + VdW CA GLN 59 - O GLN 359 2.90 7 0.24 1.25 + + * ++ + + VdW HA GLN 59 - CE2 PHE 92 2.60 6 0.14 0.81 ++ + *+ + VdW CB GLN 59 - N GLN 359 3.05 7 0.30 1.12 + + ++ * + + VdW CB GLN 59 - CA GLN 359 3.20 14 0.31 0.59 ++ +++*+++ +++++ VdW CB GLN 59 - CB GLN 359 3.20 10 0.21 0.57 + +++ ++ *++ + VdW CB GLN 59 - HB3 GLN 359 2.60 8 0.20 0.77 + + + ++++ * VdW CB GLN 59 - C GLN 359 3.10 7 0.18 0.71 + + * + ++ + VdW CB GLN 59 - O GLN 359 2.90 9 0.32 1.02 + + + + *+++ + VdW CB GLN 59 - HB3 LEU 362 2.60 7 0.17 0.66 + * + +++ + VdW CB GLN 59 - CZ PHE 392 3.20 7 0.18 0.76 ++ +*+ + + VdW CB GLN 59 - CE2 PHE 392 3.20 6 0.13 0.56 + + ++ + * VdW HB2 GLN 59 - CA GLN 359 2.60 9 0.29 0.81 + + + + ++*+ + VdW HB2 GLN 59 - HA GLN 359 2.00 6 0.16 0.71 + + * + + + VdW HB2 GLN 59 - CB GLN 359 2.60 8 0.20 0.73 + + + + *++ + VdW HB2 GLN 59 - C GLN 359 2.50 6 0.15 0.91 + + + *+ + VdW HB3 GLN 59 - CZ PHE 392 2.60 7 0.23 0.93 *+ +++ + + VdW CG GLN 59 - CA GLN 359 3.20 7 0.15 0.55 +*+++ + + VdW CG GLN 59 - C GLN 359 3.10 6 0.20 0.96 + + * ++ + VdW CG GLN 59 - O GLN 359 2.90 9 0.37 1.00 + + * + ++++ + VdW CG GLN 59 - CB LEU 362 3.20 6 0.13 0.76 + + + * + + VdW CG GLN 59 - HB3 LEU 362 2.60 7 0.20 0.86 + * + + + + + VdW CG GLN 59 - H ALA 363 2.55 6 0.17 0.76 + + + *+ + VdW CD GLN 59 - CA GLN 359 3.10 7 0.21 0.83 +++ ++ + * VdW CD GLN 59 - HA GLN 359 2.50 6 0.25 1.07 ++ ++ + * VdW CD GLN 59 - C GLN 359 3.00 7 0.16 0.57 ++ * ++ + + VdW CD GLN 59 - O GLN 359 2.80 6 0.26 1.09 + * ++ + + VdW CD GLN 59 - HB3 LEU 362 2.50 6 0.12 0.66 ++ + + * + VdW CD GLN 59 - H ALA 363 2.45 6 0.20 0.92 * + ++ + + VdW NE2 GLN 59 - C PRO 358 2.95 6 0.15 0.77 +* +++ + VdW NE2 GLN 59 - O PRO 358 2.75 6 0.29 1.18 ++ *++ + VdW NE2 GLN 59 - C GLN 359 2.95 11 0.30 0.82 ++++++ + +++ * VdW NE2 GLN 59 - O GLN 359 2.75 9 0.20 0.71 + + + *+++ + + VdW NE2 GLN 59 - CA GLU 360 3.05 6 0.14 0.80 + + + +*+ VdW NE2 GLN 59 - C GLU 360 2.95 8 0.27 0.93 + + + +*++ + VdW NE2 GLN 59 - N ALA 361 2.90 9 0.38 1.31 *+ + + + ++ + + VdW HE21 GLN 59 - C GLN 359 2.45 6 0.15 0.83 ++ + * ++ VdW HE22 GLN 59 - H ALA 361 1.90 8 0.22 0.83 +*+ + +++ + VdW HE22 GLN 59 - CA ALA 361 2.55 6 0.12 0.79 + + + * + + VdW C GLN 59 - N ALA 61 2.95 11 0.22 0.49 ++ + + + *+++ ++ VdW C GLN 59 - H ALA 61 2.45 7 0.18 0.50 *+ + + + + + VdW C GLN 59 - HB3 GLN 359 2.50 7 0.15 0.49 + + + + ++ * VdW C GLN 59 - NE2 GLN 359 2.95 7 0.20 0.74 + ++ + + + * VdW O GLN 59 - C GLU 60 2.80 11 0.25 0.48 ++ ++ + + *++ ++ VdW O GLN 59 - N ALA 61 2.75 12 0.42 1.06 ++ ++ + + *+++ ++ VdW O GLN 59 - N LEU 62 2.75 7 0.16 0.80 + + + +++ * VdW N GLU 60 - CB GLN 359 3.05 7 0.14 0.57 + + + + +* + VdW N GLU 60 - HB3 GLN 359 2.45 6 0.17 0.68 + + * ++ + VdW N GLU 60 - CG GLN 359 3.05 8 0.21 1.01 + + * ++++ + VdW N GLU 60 - HG2 GLN 359 2.45 6 0.19 0.93 + + * +++ VdW H GLU 60 - CB GLN 359 2.55 8 0.21 0.90 + + + +++* + VdW H GLU 60 - CG GLN 359 2.55 8 0.26 1.19 + + + * +++ + VdW O GLU 60 - CG GLN 64 2.90 8 0.19 0.62 + *++ + ++ + VdW O GLU 60 - HG3 GLN 64 2.30 15 0.33 0.58 + ++++++++ +*+ + + + VdW N ALA 61 - NE2 GLN 359 2.90 8 0.24 1.15 + ++ ++ * + + VdW H ALA 61 - HE22 GLN 359 1.90 8 0.27 1.10 ++ ++ * + + + VdW CA ALA 61 - HE22 GLN 359 2.55 6 0.10 0.48 + ++ + + * VdW C ALA 61 - CG LEU 65 3.10 7 0.11 0.36 + + * + + ++ VdW C ALA 61 - HG LEU 65 2.50 9 0.21 0.64 + + *+ ++ + ++ VdW O ALA 61 - C LEU 62 2.80 12 0.23 0.48 ++ +++++* +++ + VdW O ALA 61 - N ALA 63 2.75 7 0.17 0.58 + + *+ + + + VdW O ALA 61 - N LEU 65 2.75 6 0.16 0.62 + ++ + + * VdW O ALA 61 - CG LEU 65 2.90 9 0.20 0.76 + ++ + * ++ ++ VdW O ALA 61 - HG LEU 65 2.30 8 0.27 0.99 + + ++ * + ++ VdW O ALA 61 - CD1 LEU 65 2.90 7 0.18 0.60 * + + +++ + VdW HA LEU 62 - CD1 LEU 65 2.60 7 0.13 0.51 + + ++ * ++ VdW CB LEU 62 - CD1 PHE 92 3.20 6 0.11 0.37 + ++ + + * VdW CB LEU 62 - HD1 PHE 92 2.60 6 0.17 0.61 + + ++ +* VdW HB2 LEU 62 - CB PRO 112 2.60 6 0.17 0.68 * + + + ++ VdW HB2 LEU 62 - HB2 PRO 112 2.00 6 0.12 0.54 + + + * + + VdW HB3 LEU 62 - CD1 PHE 92 2.60 6 0.17 0.83 * + + ++ + VdW CG LEU 62 - HB2 PRO 112 2.60 8 0.17 0.54 ++ + *++ + + VdW CD1 LEU 62 - HB2 PRO 112 2.60 7 0.15 0.76 + ++ ++ * + VdW CD2 LEU 62 - C LEU 62 3.10 7 0.24 0.96 * +++ + + + VdW CD2 LEU 62 - HB2 PRO 112 2.60 7 0.17 0.69 +* + + + + + VdW O LEU 62 - CG2 VAL 88 2.90 6 0.11 0.57 +++ + + * VdW CB ALA 63 - CG GLU 413 3.20 7 0.14 0.64 + + + * ++ + VdW CB ALA 63 - C GLU 413 3.10 6 0.09 0.44 ++ * + + + VdW CB ALA 63 - O GLU 413 2.90 7 0.20 0.69 ++ +* + + + VdW CB LEU 65 - HB VAL 88 2.60 7 0.11 0.41 * + + +++ + VdW HB3 LEU 65 - HB VAL 88 2.00 9 0.15 0.47 + +* + + +++ + VdW HG LEU 65 - HG3 GLN 91 2.00 7 0.15 0.55 + + + + ++* VdW O LEU 65 - SG CYS 69 3.10 17 0.39 0.70 +++++++++++*++++ + VdW CG GLU 67 - C GLU 67 2.90 13 0.21 0.24 ++++++ + ++ + ++ * VdW CA LEU 68 - CD1 LEU 68 3.00 10 0.13 0.27 + ++ +*+ +++ + VdW HA LEU 68 - CD1 LEU 68 2.60 10 0.24 0.49 + +* +++ +++ + VdW H CYS 69 - SG CYS 69 2.75 6 0.18 0.56 + * +++ + VdW HB3 CYS 69 - CD2 LEU 87 2.60 7 0.11 0.34 + + ++ + * + VdW SG CYS 69 - HD21 LEU 87 2.80 6 0.12 0.45 + *++ + + VdW HA ARG 70 - H ARG 74 1.95 10 0.18 0.37 ++ +*++ + + + + VdW C ARG 70 - H TRP 72 2.45 8 0.15 0.25 ++ + + + ++ * VdW H GLN 71 - CG GLN 71 2.55 7 0.13 0.41 +++ + + *+ VdW CG TRP 72 - C TRP 72 2.90 17 0.23 0.25 +++++++*++++++ + ++ VdW CD1 TRP 72 - C TRP 72 3.10 20 0.64 0.69 ++++++++++++*+++++++ VdW CD1 TRP 72 - O TRP 72 2.90 19 0.28 0.37 +++++++++++++++*+ ++ VdW CD1 TRP 72 - N LEU 73 3.05 12 0.20 0.30 + ++ +++ +++ + +* VdW NE1 TRP 72 - HG LEU 73 2.45 8 0.16 0.30 + + ++ *++ + VdW HD1 TRP 72 - C TRP 72 2.50 20 0.55 0.67 ++++++++*+++++++++++ VdW HD1 TRP 72 - O TRP 72 2.30 20 0.63 0.73 +++++++++++++++*++++ VdW CZ3 TRP 72 - HG LEU 87 2.60 11 0.20 0.41 + + *++ +++ +++ VdW CH2 TRP 72 - CD1 LEU 87 3.20 14 0.30 0.50 +*+ ++++ + + +++++ VdW CD1 LEU 73 - HD23 LEU 87 2.60 6 0.14 0.44 + * + ++ + VdW HA ARG 74 - CD PRO 75 2.60 20 0.29 0.31 +++++*++++++++++++++ VdW C ARG 74 - H GLU 76 2.45 20 0.30 0.37 +++*++++++++++++++++ VdW N LYS 80 - HG3 LYS 80 2.45 8 0.10 0.28 ++ *+ ++ + + VdW O LYS 80 - HB2 LEU 84 2.30 7 0.13 0.46 + ++ +*+ + VdW O LYS 80 - HG LEU 84 2.30 6 0.11 0.31 * ++ ++ + VdW O GLU 81 - HB2 GLU 85 2.30 6 0.10 0.33 + + ++ +* VdW O GLU 81 - HB3 GLU 85 2.30 9 0.15 0.35 + + +++++ +* VdW HA MET 83 - CD1 LEU 86 2.60 12 0.21 0.35 ++ *+ +++ ++ +++ VdW O MET 83 - HB2 LEU 86 2.30 6 0.16 0.56 + ++++* VdW N LEU 84 - CD1 LEU 84 3.05 9 0.15 0.37 ++* ++ +++ + VdW HA LEU 84 - CD2 LEU 87 2.60 13 0.26 0.52 ++ *+++ + + +++++ VdW O LEU 84 - CD2 LEU 87 2.90 9 0.15 0.34 + + +* +++ ++ VdW O LEU 84 - CG1 VAL 88 2.90 15 0.25 0.40 + +++++* ++++++ ++ VdW HA GLU 85 - CG1 VAL 88 2.60 6 0.11 0.33 * ++ ++ + VdW O GLU 85 - HB3 LEU 89 2.30 9 0.22 0.63 ++ +*++ + + + VdW N LEU 87 - CD1 LEU 87 3.05 16 0.34 0.57 +++ +++++ +++ +++*+ VdW N LEU 87 - HD12 LEU 87 2.45 6 0.11 0.36 *+ + + + + VdW H LEU 87 - CD2 LEU 87 2.55 6 0.17 0.32 * + +++ + VdW O LEU 87 - C VAL 88 2.80 15 0.23 0.28 ++ ++++++++++*++ VdW O LEU 87 - N LEU 89 2.75 7 0.13 0.29 + *+ + ++ + VdW CG2 VAL 88 - C VAL 88 2.90 9 0.16 0.24 +++ + +*+ + + VdW CA LEU 89 - CD2 LEU 89 3.00 11 0.15 0.26 ++++ +* +++ + + VdW HA LEU 89 - N PRO 112 2.45 8 0.17 0.49 + +++ + + + * VdW HB2 LEU 89 - HA SER 111 2.00 7 0.19 0.62 + + * + + + + VdW HB2 LEU 89 - HD3 PRO 112 2.00 6 0.10 0.37 * ++ +++ VdW HG LEU 89 - C GLY 110 2.50 6 0.12 0.49 + + + ++ * VdW CD1 LEU 89 - N GLU 90 3.05 11 0.16 0.34 + ++ + + +++++ * VdW CD2 LEU 89 - C LEU 89 3.10 13 0.41 0.75 +++++++ +++ * + + VdW CD2 LEU 89 - N SER 111 3.05 6 0.13 0.44 + + + + + * VdW CD2 LEU 89 - C SER 111 3.10 6 0.13 0.46 + + + *+ + VdW HD21 LEU 89 - C LEU 89 2.50 6 0.13 0.45 +++ + + * VdW HD22 LEU 89 - C LEU 89 2.50 8 0.16 0.44 ++ + +* + + + VdW HD23 LEU 89 - C LEU 89 2.50 7 0.11 0.43 + + ++* + + VdW CD GLN 91 - C GLN 91 3.00 14 0.26 0.56 ++ + * ++++ +++ +++ VdW CD GLN 91 - O GLN 91 2.80 12 0.24 0.50 ++ + + +*++ ++ + + VdW NE2 GLN 91 - O GLN 91 2.75 12 0.24 0.58 ++ + ++++++ + *+ VdW O GLN 91 - C PHE 92 2.80 11 0.22 0.39 ++ ++* ++ ++ + + VdW CD1 PHE 92 - C PHE 92 3.10 8 0.20 0.68 * +++ + ++ + VdW HD1 PHE 92 - C PHE 92 2.50 8 0.23 0.89 * +++ + ++ + VdW CE1 PHE 92 - CB ALA 116 3.20 9 0.23 0.64 * ++++ + + ++ VdW CE1 PHE 92 - HG2 GLN 359 2.60 6 0.23 1.10 ++ *++ + VdW CZ PHE 92 - CA ALA 116 3.20 12 0.29 0.60 +++++ + * +++ + + VdW CZ PHE 92 - HA ALA 116 2.60 9 0.22 0.71 ++++ * +++ + VdW CZ PHE 92 - CB ALA 116 3.20 20 0.66 0.87 +++++++++++++++++*++ VdW CZ PHE 92 - HB1 ALA 116 2.60 8 0.19 0.67 ++ + + * +++ VdW CZ PHE 92 - HB2 ALA 116 2.60 12 0.27 0.72 + +++*+ +++ +++ VdW CZ PHE 92 - HB3 ALA 116 2.60 10 0.23 0.74 ++++ + + *++ + VdW CZ PHE 92 - CB GLN 359 3.20 6 0.11 0.43 ++ *++ + VdW CZ PHE 92 - HB3 GLN 359 2.60 6 0.13 0.59 ++ *++ + VdW HZ PHE 92 - CA ALA 116 2.60 6 0.15 0.48 ++ ++ +* VdW HZ PHE 92 - HA ALA 116 2.00 6 0.13 0.47 *+ + + ++ VdW HZ PHE 92 - CB ALA 116 2.60 16 0.42 0.84 ++ ++*+++ ++++++++ VdW HZ PHE 92 - HB1 ALA 116 2.00 6 0.16 0.75 ++ + * + + VdW HZ PHE 92 - HB2 ALA 116 2.00 10 0.25 0.70 ++++ +*++++ VdW HZ PHE 92 - HB3 GLN 359 2.00 6 0.11 0.48 *+ +++ + VdW CE2 PHE 92 - HA ALA 116 2.60 6 0.14 0.68 + + ++ +* VdW CD2 PHE 92 - C PHE 92 3.10 12 0.29 0.70 + +++* ++ + ++ ++ VdW HD2 PHE 92 - C PHE 92 2.50 10 0.32 0.93 + +++ ++ * ++ + VdW HD2 PHE 92 - N LEU 93 2.45 6 0.18 0.76 + *++ + + VdW C PHE 92 - N GLY 94 2.95 9 0.19 0.45 + ++ + ++ + *+ VdW O PHE 92 - C LEU 93 2.80 12 0.24 0.43 ++ ++* ++ + + +++ VdW O PHE 92 - N GLY 94 2.75 12 0.28 0.74 ++ + ++ + *+ ++++ VdW O PHE 92 - N ALA 95 2.75 18 0.42 0.68 +++++++++++ ++++++* VdW O PHE 92 - H ALA 95 1.80 17 0.38 0.68 +++ +++++++ ++++*++ VdW CA LEU 93 - CD1 LEU 93 3.00 8 0.12 0.27 ++ +++ + +* VdW HA LEU 93 - CD1 LEU 93 2.60 11 0.19 0.50 +++ + +++ + + *+ VdW O LEU 93 - CG GLN 101 2.90 9 0.19 0.47 *+ +++ ++ ++ VdW O LEU 93 - HG2 GLN 101 2.30 10 0.22 0.48 + * ++ + + ++ + + VdW O LEU 93 - CD GLN 101 2.80 7 0.11 0.40 ++ + * + ++ VdW HA2 GLY 94 - OE1 GLN 101 2.30 8 0.14 0.31 + + + +*+++ VdW O GLY 94 - C ALA 95 2.80 12 0.20 0.40 ++ *+ ++ ++++++ VdW N LEU 96 - HG LEU 96 2.45 8 0.13 0.35 ++ + + ++ + * VdW N LEU 96 - CD2 LEU 96 3.05 9 0.22 0.80 + + +++*+++ VdW H LEU 96 - CG LEU 96 2.55 11 0.20 0.35 ++ ++ ++ *+++ + VdW H LEU 96 - CD2 LEU 96 2.55 8 0.26 0.84 + + +++*++ VdW CB LEU 96 - CD PRO 97 3.20 11 0.23 0.42 + * + + +++++ ++ VdW CB LEU 96 - HD2 PRO 97 2.60 14 0.32 0.52 + * ++ + +++++++++ VdW HB2 LEU 96 - HD2 PRO 97 2.00 7 0.15 0.61 + ++*+ ++ VdW HB2 LEU 96 - HB ILE 100 2.00 7 0.11 0.30 + + *+ +++ VdW CD1 LEU 96 - CG1 VAL 119 3.20 6 0.12 0.37 + + + + + * VdW C LEU 96 - HE21 GLN 101 2.45 7 0.13 0.30 + + * ++++ VdW O LEU 96 - NE2 GLN 101 2.75 20 0.71 0.82 ++++++++++++*+++++++ VdW O LEU 96 - HE21 GLN 101 1.80 10 0.20 0.40 + + + +++*+++ VdW CB PRO 97 - CD PRO 98 3.20 9 0.19 0.29 + + + *++++ + VdW CB PRO 97 - HD2 PRO 98 2.60 18 0.28 0.38 ++ +++++++++*++++++ VdW HB2 PRO 97 - CD PRO 98 2.60 7 0.17 0.32 + + *++ + + VdW HB2 PRO 97 - HD2 PRO 98 2.00 18 0.36 0.54 ++ +++++++++*++++++ VdW C PRO 97 - HE21 GLN 101 2.45 10 0.23 0.41 * + + +++++++ VdW H GLU 99 - CG GLU 99 2.55 13 0.21 0.36 *++++++ +++ + + + VdW CG2 ILE 100 - HB VAL 119 2.60 11 0.22 0.61 ++ +++ ++ +*++ VdW CD1 ILE 100 - O ALA 355 2.90 11 0.21 0.52 ++*++++ + + + + VdW O GLN 107 - CB ARG 108 2.90 15 0.30 0.54 + ++ *+++++ +++ +++ VdW CB SER 111 - HD2 PRO 112 2.60 10 0.17 0.48 + * ++ ++ +++ + VdW CA GLU 113 - HA ALA 363 2.60 6 0.11 0.50 + ++ +* + VdW HA GLU 113 - CB ALA 363 2.60 8 0.19 0.63 + + + + *++ + VdW HB3 GLU 113 - O ALA 363 2.30 6 0.09 0.28 + + + + *+ VdW C GLU 113 - CB ALA 363 3.10 6 0.10 0.31 *+ ++ ++ VdW O GLU 113 - CB ALA 363 2.90 7 0.21 0.77 *+ ++ ++ + VdW O GLU 114 - HG LEU 118 2.30 8 0.18 0.48 + ++ *++ + + VdW CB ALA 116 - C GLN 359 3.10 6 0.11 0.42 *+ +++ + VdW CB ALA 116 - CB ALA 363 3.20 9 0.17 0.59 ++++ + + ++ * VdW O ALA 116 - CG2 VAL 119 2.90 9 0.19 0.45 + * + +++ +++ VdW HA ALA 117 - NE2 GLN 364 2.45 8 0.19 0.70 +* + + ++ ++ VdW CB ALA 117 - HG2 GLN 364 2.60 6 0.13 0.54 ++ *++ + VdW HB2 ASP 120 - CG GLU 360 2.60 6 0.09 0.41 + +* + + + VdW HD3 ARG 123 - HH11 ARG 123 1.95 6 0.09 0.24 *++++ + VdW HA2 GLY 339 - CD PRO 340 2.60 7 0.18 0.24 + * + ++ ++ VdW HG2 ARG 344 - CE3 TRP 372 2.60 7 0.15 0.35 ++ + * ++ + VdW HB2 PHE 347 - CB LEU 368 2.60 7 0.18 0.40 +* + + + + + VdW HB2 PHE 347 - HB3 LEU 368 2.00 16 0.28 0.50 +++ +++++++ *++++ + VdW CG PHE 347 - C PHE 347 2.90 8 0.19 0.25 + ++ + *++ + VdW CE1 PHE 347 - SG CYS 369 3.40 6 0.11 0.53 + + + + +* VdW HE1 PHE 347 - HB3 LEU 365 2.00 7 0.14 0.58 + + * + + ++ VdW CZ PHE 347 - CB LEU 387 3.20 18 0.32 0.44 ++ +++ ++++*++++++++ VdW CZ PHE 347 - HB2 LEU 387 2.60 18 0.42 0.72 +++++++*+++++ +++ ++ VdW CZ PHE 347 - CB GLN 391 3.20 15 0.25 0.42 ++++++ +++ +++ ++* VdW CZ PHE 347 - HB2 GLN 391 2.60 12 0.25 0.67 ++ +++ ++++ + +* VdW CZ PHE 347 - CG GLN 391 3.20 7 0.16 0.37 + + + +++ * VdW HZ PHE 347 - CB LEU 387 2.60 10 0.19 0.46 * ++ +++ +++ + VdW HZ PHE 347 - HB2 LEU 387 2.00 8 0.18 0.51 * + ++ + + + + VdW HZ PHE 347 - C LEU 387 2.50 17 0.31 0.52 +*+++++++++ ++ +++ + VdW CD1 PHE 350 - CB ALA 361 3.20 10 0.23 0.59 + ++ + ++ +* + + VdW CE1 PHE 350 - CA ALA 361 3.20 8 0.19 0.73 + ++ + + +* + VdW CE1 PHE 350 - HA ALA 361 2.60 7 0.17 1.16 + ++ + +*+ VdW CZ PHE 350 - HG3 GLU 360 2.60 9 0.19 0.52 +++ + *+ ++ + VdW CZ PHE 350 - C GLU 360 3.10 6 0.14 0.41 *++ + + + VdW CZ PHE 350 - O GLU 360 2.90 8 0.20 0.75 + + *+++ ++ VdW CZ PHE 350 - CA ALA 361 3.20 6 0.12 0.48 ++ * ++ + VdW CZ PHE 350 - HA ALA 361 2.60 9 0.19 0.67 ++ + +*+ + ++ VdW HZ PHE 350 - CG GLU 360 2.60 10 0.20 0.47 + ++*++++ ++ VdW HZ PHE 350 - HG3 GLU 360 2.00 8 0.18 0.62 * ++ ++ +++ VdW HZ PHE 350 - CD GLU 360 2.50 7 0.19 0.69 + ++++* + VdW HZ PHE 350 - O GLU 360 2.30 6 0.14 0.59 + * + + ++ VdW CE2 PHE 350 - CA ALA 361 3.20 8 0.15 0.52 + + *+ + + + + VdW CE2 PHE 350 - HA ALA 361 2.60 7 0.21 0.80 ++ ++ *+ + VdW CD2 PHE 350 - HA ALA 361 2.60 6 0.12 0.43 *+ + + ++ VdW CG HIS 351 - C HIS 351 2.90 14 0.21 0.25 +*+ +++ +++++++ + VdW N TYR 352 - O ALA 395 2.75 13 0.28 0.60 ++ ++* ++++ ++ ++ VdW H TYR 352 - O ALA 395 1.80 9 0.16 0.49 ++ +++ ++ + * VdW CB TYR 352 - O GLY 357 2.90 16 0.32 0.57 +++++++++ ++*+++ + VdW CB TYR 352 - O ALA 395 2.90 16 0.31 0.65 +++++*++++ +++++ + VdW HB2 TYR 352 - O GLY 357 2.30 11 0.28 0.69 ++ +*+ ++ +++ + VdW HB3 TYR 352 - C ALA 395 2.50 7 0.14 0.40 +* +++ + + VdW HB3 TYR 352 - O ALA 395 2.30 13 0.37 0.78 ++ +++++++ * +++ VdW CG TYR 352 - C TYR 352 2.90 19 0.23 0.24 ++++++*++++++++++++ VdW CG TYR 352 - C GLY 357 3.10 17 0.42 0.63 ++++*+++++++++++ + VdW CG TYR 352 - O GLY 357 2.90 16 0.45 1.05 + + +++++++++++* ++ VdW CG TYR 352 - N PRO 358 3.05 6 0.11 0.42 ++ *++ + VdW CD1 TYR 352 - C TYR 352 3.10 9 0.20 0.56 + ++ ++ * + + + VdW CD1 TYR 352 - N GLY 357 3.05 10 0.31 0.80 + ++ ++ ++*+ + VdW CD1 TYR 352 - H GLY 357 2.55 8 0.29 1.19 + ++ + * ++ + VdW CD1 TYR 352 - CA GLY 357 3.20 10 0.22 0.65 + +* ++ ++++ + VdW CD1 TYR 352 - C GLY 357 3.10 11 0.33 0.88 + + ++++ * +++ + VdW CD1 TYR 352 - O GLY 357 2.90 8 0.24 0.77 + + + +++* + VdW CD1 TYR 352 - N PRO 358 3.05 7 0.13 0.46 + + +* ++ + VdW CD1 TYR 352 - CA PRO 358 3.20 9 0.17 0.52 + + +++ +* ++ VdW CD1 TYR 352 - HA PRO 358 2.60 8 0.20 0.72 + + ++ +* ++ VdW CD1 TYR 352 - CA LEU 396 3.20 6 0.10 0.37 + + ++ *+ VdW CD1 TYR 352 - HA LEU 396 2.60 8 0.17 0.69 + + +++ *+ + VdW HD1 TYR 352 - H GLY 357 1.95 7 0.17 0.61 + * + + ++ + VdW HD1 TYR 352 - C ALA 395 2.50 7 0.18 0.76 + + +++ + * VdW HD1 TYR 352 - N LEU 396 2.45 6 0.11 0.50 + + +++ * VdW HD1 TYR 352 - CA LEU 396 2.60 6 0.12 0.65 + + + *+ + VdW CE1 TYR 352 - N GLY 357 3.05 7 0.23 0.85 + + ++++ * VdW CE1 TYR 352 - H GLY 357 2.55 6 0.18 0.75 * + + ++ + VdW CE1 TYR 352 - CA GLY 357 3.20 9 0.26 0.77 + ++ ++ *++ + VdW CE1 TYR 352 - HA2 GLY 357 2.60 6 0.17 0.75 + + + *++ VdW CE1 TYR 352 - C GLY 357 3.10 8 0.19 0.85 + + + +++* + VdW CZ TYR 352 - CD PRO 358 3.20 8 0.13 0.40 ++ +++ * + + VdW CZ TYR 352 - HD3 PRO 358 2.60 9 0.27 0.76 *+++++ + + + VdW CE2 TYR 352 - N GLY 357 3.05 6 0.19 0.90 + ++ ++ * VdW CE2 TYR 352 - CA GLY 357 3.20 7 0.19 0.71 + + ++ +* + VdW CE2 TYR 352 - C GLY 357 3.10 7 0.12 0.49 + + + + + +* VdW CE2 TYR 352 - N PRO 358 3.05 7 0.13 0.63 * ++ ++++ VdW CE2 TYR 352 - CD PRO 358 3.20 7 0.14 0.51 + ++ * +++ VdW CE2 TYR 352 - HD3 PRO 358 2.60 7 0.17 0.67 + ++ * +++ VdW CD2 TYR 352 - C TYR 352 3.10 7 0.15 0.60 + + +* + + + VdW CD2 TYR 352 - N GLY 357 3.05 8 0.23 0.82 + + +++ *+ + VdW CD2 TYR 352 - H GLY 357 2.55 6 0.18 1.09 + + *++ + VdW CD2 TYR 352 - CA GLY 357 3.20 7 0.14 0.66 + * +++ ++ VdW CD2 TYR 352 - C GLY 357 3.10 10 0.29 0.75 ++ * + ++ + ++ + VdW CD2 TYR 352 - O GLY 357 2.90 7 0.17 0.89 + + + + +* + VdW CD2 TYR 352 - N PRO 358 3.05 9 0.20 0.51 + ++ ++ ++* + VdW CD2 TYR 352 - CA PRO 358 3.20 8 0.20 0.63 + ++ ++ *++ VdW CD2 TYR 352 - HA PRO 358 2.60 6 0.19 0.81 + + ++ + * VdW CD2 TYR 352 - O ALA 395 2.90 7 0.15 0.66 + + + +++ * VdW CD2 TYR 352 - CA LEU 396 3.20 7 0.13 0.40 + + ++ * ++ VdW CD2 TYR 352 - HA LEU 396 2.60 11 0.23 0.61 + ++ ++ +++* ++ VdW HD2 TYR 352 - HA PRO 358 2.00 6 0.13 0.54 * + ++++ VdW HD2 TYR 352 - C ALA 395 2.50 9 0.21 0.77 + *+ ++ + ++ + VdW HD2 TYR 352 - N LEU 396 2.45 8 0.17 0.52 + +* ++ + + + VdW HD2 TYR 352 - CA LEU 396 2.60 7 0.11 0.46 + + ++ + * + VdW C GLU 353 - N ALA 355 2.95 18 0.38 0.54 +++ ++++++++++++++* VdW C GLU 353 - H ALA 355 2.45 18 0.46 0.71 +++ +++++++++++++*+ VdW O GLU 353 - C GLU 354 2.80 13 0.25 0.44 + + + ++ ++ ++++ +* VdW O GLU 353 - N ALA 355 2.75 18 0.58 1.01 +++ ++++++++++++++* VdW O GLU 353 - N THR 356 2.75 19 0.47 0.69 ++++++++++++++++++* VdW O GLU 353 - H THR 356 1.80 13 0.26 0.65 + +++ ++++++++* VdW CA PRO 358 - CB ALA 395 3.20 9 0.21 0.74 ++ ++ ++ * + + VdW CA PRO 358 - HB1 ALA 395 2.60 6 0.13 0.48 + *+ + + + VdW HA PRO 358 - CB ALA 395 2.60 9 0.28 1.11 ++ ++ ++ * + + VdW CB PRO 358 - CD1 LEU 396 3.20 6 0.10 0.42 ++ +*++ VdW CB PRO 358 - CD2 LEU 396 3.20 6 0.17 0.71 + + + + + * VdW HB3 PRO 358 - CD1 LEU 396 2.60 6 0.19 0.82 ++ ++*+ VdW O PRO 358 - C GLN 359 2.80 8 0.15 0.45 ++ ++ + + * + VdW O PRO 358 - N GLU 360 2.75 6 0.15 0.68 + ++ + * + VdW O PRO 358 - CB ALA 395 2.90 15 0.36 0.86 + ++++ ++++*+++++ VdW O PRO 358 - HB1 ALA 395 2.30 6 0.18 0.85 + + + + * + VdW O PRO 358 - HB3 ALA 395 2.30 8 0.18 0.80 ++ + + ++*+ VdW HA GLN 359 - CZ PHE 392 2.60 6 0.17 0.64 + + + *+ + VdW HA GLN 359 - CE2 PHE 392 2.60 6 0.16 0.74 * ++ + ++ VdW CG GLN 359 - CB ALA 416 3.20 6 0.14 0.68 + * + + + + VdW O GLU 360 - CG GLN 364 2.90 9 0.21 0.86 +* +++ +++ + VdW O GLU 360 - HG3 GLN 364 2.30 12 0.30 0.85 * ++++ + ++++++ VdW CB ALA 361 - CB ALA 395 3.20 6 0.15 0.47 + ++ + * + VdW C ALA 361 - HG LEU 365 2.50 7 0.17 0.62 + +* +++ + VdW O ALA 361 - C LEU 362 2.80 15 0.29 0.46 +++ ++++ + +++++* + VdW O ALA 361 - N ALA 363 2.75 12 0.29 0.85 +++ +++ + ++ + * + VdW O ALA 361 - CG LEU 365 2.90 6 0.14 0.56 + + +* + + VdW O ALA 361 - HG LEU 365 2.30 11 0.27 0.88 + +++* + +++ ++ VdW O ALA 361 - CD1 LEU 365 2.90 6 0.14 0.69 + + * + ++ VdW HA LEU 362 - CD1 LEU 365 2.60 6 0.17 0.60 + + * +++ VdW HA LEU 362 - CD2 LEU 365 2.60 6 0.12 0.57 ++ + + +* VdW CB LEU 362 - CD2 PHE 392 3.20 6 0.13 0.54 + + + * + + VdW CB LEU 362 - HD2 PHE 392 2.60 8 0.21 0.77 + * ++ + + ++ VdW HB2 LEU 362 - HB2 PRO 412 2.00 8 0.15 0.44 ++ + ++ ++* VdW CG LEU 362 - HB2 PRO 412 2.60 6 0.19 0.73 ++ ++ *+ VdW CD1 LEU 362 - HB2 PRO 412 2.60 8 0.23 0.95 ++ *+ + + ++ VdW H GLN 364 - CG GLN 364 2.55 6 0.14 0.39 + ++ +* + VdW HG LEU 365 - HG3 GLN 391 2.00 7 0.13 0.63 + ++ + + + * VdW CD1 LEU 365 - N PHE 392 3.05 8 0.14 0.42 + + + + +++ * VdW CD1 LEU 365 - HA PHE 392 2.60 6 0.11 0.42 +* +++ + VdW O LEU 365 - SG CYS 369 3.10 18 0.38 0.59 ++++*+++ +++++++ +++ VdW CG GLU 367 - C GLU 367 2.90 14 0.21 0.24 ++++++ +++++ ++ * VdW CA LEU 368 - CD1 LEU 368 3.00 10 0.14 0.26 ++ ++ ++ + *+ + VdW HA LEU 368 - CD1 LEU 368 2.60 11 0.23 0.48 +* ++ ++ + ++ ++ VdW H CYS 369 - SG CYS 369 2.75 6 0.11 0.44 + + + * + + VdW SG CYS 369 - CD2 LEU 387 3.40 7 0.12 0.42 + + + ++ + * VdW O CYS 369 - N LEU 373 2.75 6 0.12 0.39 ++ + + + * VdW HA ARG 370 - H ARG 374 1.95 6 0.12 0.36 + + + *++ VdW C ARG 370 - H TRP 372 2.45 7 0.15 0.34 + + +*+ + + VdW H GLN 371 - CG GLN 371 2.55 9 0.18 0.41 *+ + + +++ + + VdW H GLN 371 - HG2 GLN 371 1.95 6 0.11 0.30 + ++ * + + VdW CG TRP 372 - C TRP 372 2.90 14 0.22 0.26 + +++++ ++++++* + VdW CD1 TRP 372 - C TRP 372 3.10 20 0.62 0.71 +++++++++++++++++*++ VdW CD1 TRP 372 - O TRP 372 2.90 17 0.28 0.40 * ++++++++ +++++++ + VdW CD1 TRP 372 - N LEU 373 3.05 9 0.16 0.34 + *+ ++++ + + VdW NE1 TRP 372 - HG LEU 373 2.45 6 0.14 0.43 * + + ++ + VdW HD1 TRP 372 - C TRP 372 2.50 20 0.51 0.65 +++++++++++++++++*++ VdW HD1 TRP 372 - O TRP 372 2.30 20 0.61 0.73 *+++++++++++++++++++ VdW CZ3 TRP 372 - HG LEU 387 2.60 10 0.21 0.49 ++ + + *+++++ VdW CH2 TRP 372 - CD1 LEU 387 3.20 14 0.25 0.48 ++ +++ ++++ +*+ ++ VdW HA ARG 374 - CD PRO 375 2.60 18 0.28 0.31 + +++++++++++++*++ + VdW C ARG 374 - H GLU 376 2.45 16 0.27 0.37 ++++ ++++*+ ++ +++ + VdW N VAL 377 - CG1 VAL 377 2.85 7 0.08 0.24 + + ++ *+ + VdW CG2 VAL 377 - C VAL 377 2.90 7 0.11 0.32 + + ++ *+ + VdW CG2 VAL 377 - HG3 ARG 378 2.60 7 0.10 0.31 * + ++ ++ + VdW CB ARG 378 - H SER 379 2.55 6 0.19 0.40 + + + +* + VdW HB3 ARG 378 - H SER 379 1.95 6 0.11 0.39 + + + ++ * VdW O LYS 380 - HB2 LEU 384 2.30 6 0.14 0.42 + + ++ * + VdW O LYS 380 - HG LEU 384 2.30 9 0.16 0.41 + + ++ ++ * ++ VdW O GLU 381 - HB3 GLU 385 2.30 9 0.18 0.42 +* + + +++ ++ VdW HA MET 383 - CD1 LEU 386 2.60 8 0.20 0.39 + ++ + + ++ * VdW O MET 383 - HB2 LEU 386 2.30 8 0.16 0.56 * + ++ + ++ + VdW N LEU 384 - CD1 LEU 384 3.05 6 0.11 0.33 + ++ + * + VdW HA LEU 384 - CD2 LEU 387 2.60 13 0.25 0.57 + +++ ++*+ +++ ++ VdW O LEU 384 - CD2 LEU 387 2.90 8 0.13 0.38 + ++ + + ++ * VdW O LEU 384 - CG1 VAL 388 2.90 12 0.20 0.46 ++ + ++ + ++ ++ + * VdW O LEU 384 - CG2 VAL 388 2.90 6 0.11 0.37 + + + + * + VdW CG GLU 385 - C GLU 385 2.90 7 0.11 0.24 + + + + ++* VdW O GLU 385 - HB3 LEU 389 2.30 8 0.19 0.50 + * + ++ + + + VdW HB2 LEU 386 - HD12 LEU 387 2.00 6 0.11 0.52 + + +* + + VdW N LEU 387 - CD1 LEU 387 3.05 15 0.36 0.57 ++ +++ ++++ +*++ ++ VdW H LEU 387 - CD2 LEU 387 2.55 8 0.16 0.26 + +++ ++* + VdW O LEU 387 - C VAL 388 2.80 14 0.21 0.26 ++ ++++ ++++++* + VdW O LEU 387 - N LEU 389 2.75 6 0.10 0.26 ++ * ++ + VdW O LEU 387 - N GLN 391 2.75 8 0.15 0.30 + ++ + + *+ + VdW CG2 VAL 388 - C VAL 388 2.90 8 0.13 0.31 + + + + +++ * VdW O VAL 388 - N PHE 392 2.75 9 0.16 0.31 ++ + + ++* ++ VdW CA LEU 389 - CD2 LEU 389 3.00 10 0.15 0.25 + * ++++ ++ ++ VdW HA LEU 389 - N PRO 412 2.45 7 0.15 0.43 * + ++ ++ + VdW HA LEU 389 - CD PRO 412 2.60 6 0.17 0.80 + + + + +* VdW HB2 LEU 389 - HD3 PRO 412 2.00 7 0.10 0.35 ++ ++ + + * VdW HG LEU 389 - C GLY 410 2.50 8 0.13 0.42 * + ++ + + ++ VdW CD1 LEU 389 - N GLU 390 3.05 8 0.13 0.29 ++ + ++ + +* VdW CD2 LEU 389 - C LEU 389 3.10 13 0.37 0.71 + + ++++ +++*+ ++ VdW CD2 LEU 389 - C SER 411 3.10 7 0.15 0.46 + ++ + *+ + VdW HD22 LEU 389 - C LEU 389 2.50 6 0.11 0.37 + ++ +* + VdW HD23 LEU 389 - C LEU 389 2.50 7 0.13 0.40 + + *+ + ++ VdW CD GLN 391 - C GLN 391 3.00 11 0.22 0.43 ++ *++ + + + + + + VdW CD GLN 391 - O GLN 391 2.80 14 0.25 0.47 ++++*+ + + +++ + ++ VdW NE2 GLN 391 - O GLN 391 2.75 16 0.28 0.60 +++ +++ ++ ++++++ +* VdW O GLN 391 - C PHE 392 2.80 13 0.21 0.35 ++++++ + * +++++ VdW O GLN 391 - N GLY 394 2.75 8 0.16 0.32 + + + ++ *++ VdW O GLN 391 - H GLY 394 1.80 6 0.14 0.34 + + + *++ VdW CD1 PHE 392 - C PHE 392 3.10 11 0.28 0.66 + * ++ ++ + + +++ VdW CD1 PHE 392 - O PHE 392 2.90 6 0.11 0.46 + + + + + * VdW CD1 PHE 392 - O PRO 412 2.90 7 0.18 0.63 ++ + ++ * + VdW HD1 PHE 392 - C PHE 392 2.50 11 0.31 0.89 + * ++ ++ + + +++ VdW HD1 PHE 392 - N LEU 393 2.45 7 0.17 0.77 * + ++ + ++ VdW CE1 PHE 392 - CB ALA 416 3.20 6 0.13 0.51 ++ + + * + VdW CZ PHE 392 - CA ALA 416 3.20 12 0.26 0.62 ++ +++ ++ + + ++ * VdW CZ PHE 392 - HA ALA 416 2.60 8 0.19 0.83 ++ +* + + + + VdW CZ PHE 392 - CB ALA 416 3.20 19 0.57 0.76 +++++++++++*+++++++ VdW CZ PHE 392 - HB1 ALA 416 2.60 8 0.19 0.57 ++ *+ + + + + VdW CZ PHE 392 - HB2 ALA 416 2.60 10 0.20 0.61 ++ +++*+ ++ + VdW CZ PHE 392 - HB3 ALA 416 2.60 8 0.18 0.69 + + +++*++ VdW HZ PHE 392 - CA ALA 416 2.60 8 0.18 0.49 ++ *++ + + + VdW HZ PHE 392 - HA ALA 416 2.00 6 0.16 0.74 ++ +* + + VdW HZ PHE 392 - CB ALA 416 2.60 17 0.42 0.89 +++*+ ++++ ++++++++ VdW HZ PHE 392 - HB1 ALA 416 2.00 6 0.15 0.68 ++ * ++ + VdW HZ PHE 392 - HB3 ALA 416 2.00 6 0.14 0.69 ++ + ++ * VdW CE2 PHE 392 - CB ALA 416 3.20 9 0.19 0.48 + + *+ +++ + + VdW CD2 PHE 392 - C PHE 392 3.10 9 0.23 0.67 *+ + ++ ++ + + VdW HD2 PHE 392 - C PHE 392 2.50 8 0.25 0.91 *+ + + ++ + + VdW HD2 PHE 392 - N LEU 393 2.45 9 0.19 0.69 ++ * ++ ++ + + VdW C PHE 392 - N GLY 394 2.95 7 0.19 0.47 * + + +++ + VdW O PHE 392 - C LEU 393 2.80 10 0.20 0.37 ++ ++++ + * + + VdW O PHE 392 - N GLY 394 2.75 11 0.26 0.73 ++ * + + + ++++ + VdW O PHE 392 - N ALA 395 2.75 16 0.33 0.64 ++ +++++++++ +++ + * VdW O PHE 392 - H ALA 395 1.80 12 0.29 0.60 ++ + +++++ + +* + VdW CA LEU 393 - CD1 LEU 393 3.00 8 0.16 0.27 + +* ++ + + + VdW HA LEU 393 - CD1 LEU 393 2.60 10 0.20 0.42 + + *+ ++ +++ + VdW O LEU 393 - CG GLN 401 2.90 13 0.24 0.52 ++ ++*++ + + ++++ VdW O LEU 393 - HG2 GLN 401 2.30 10 0.29 0.72 + ++++ ++ *+ + VdW O LEU 393 - CD GLN 401 2.80 8 0.15 0.44 ++ *+ + ++ + VdW O GLY 394 - C ALA 395 2.80 10 0.14 0.30 ++ +++++++ * VdW N LEU 396 - HG LEU 396 2.45 7 0.13 0.28 ++ *+ + + + VdW H LEU 396 - CG LEU 396 2.55 10 0.15 0.35 *+++++++ + + VdW H LEU 396 - HG LEU 396 1.95 8 0.11 0.29 ++ +++ ++* VdW CB LEU 396 - HD2 PRO 397 2.60 10 0.22 0.50 + ++*+ ++ ++ + VdW CD2 LEU 396 - CG2 VAL 419 3.20 6 0.13 0.37 + + *++ + VdW O LEU 396 - NE2 GLN 401 2.75 20 0.61 0.90 +++++++++++++++*++++ VdW O LEU 396 - HE21 GLN 401 1.80 12 0.22 0.44 ++ ++ + + +++*++ VdW CB PRO 397 - CD PRO 398 3.20 6 0.17 0.30 + ++++ * VdW CB PRO 397 - HD2 PRO 398 2.60 16 0.26 0.40 ++ ++++++++ +++++ * VdW HB2 PRO 397 - HD2 PRO 398 2.00 16 0.33 0.58 ++ ++++++++ +++++ * VdW O PRO 397 - HG3 GLN 401 2.30 6 0.12 0.43 + +* + + + VdW H GLU 399 - CG GLU 399 2.55 12 0.19 0.36 ++ +* ++ ++ + ++ + VdW CG2 ILE 400 - HB VAL 419 2.60 11 0.23 0.55 ++ +*++ + +++ + VdW O GLN 407 - CB ARG 408 2.90 15 0.25 0.51 + ++++*++++ +++ ++ VdW HG3 PRO 409 - HA ALA 415 2.00 7 0.12 0.35 + + + + *++ VdW HG3 PRO 409 - CB ALA 415 2.60 8 0.14 0.40 + + + + ++ + * VdW CB SER 411 - CD PRO 412 3.20 7 0.14 0.33 + *+ + + + + VdW CB SER 411 - HD2 PRO 412 2.60 11 0.21 0.43 +++*+ + + + ++ + VdW H GLU 414 - CG GLU 414 2.55 8 0.13 0.37 + +* + + + ++ VdW O GLU 414 - HG LEU 418 2.30 13 0.26 0.58 +++++ + * + +++ + + VdW O ALA 416 - N VAL 419 2.75 7 0.16 0.48 + ++ + * + + VdW O ALA 416 - CG2 VAL 419 2.90 9 0.16 0.52 ++ + ++ * ++ + VdW H LEU 418 - CG LEU 418 2.55 7 0.12 0.35 * +++++ + VdW H LEU 418 - HG LEU 418 1.95 8 0.15 0.45 + + +++*+ + VdW HA VAL 419 - CD2 LEU 422 2.60 8 0.18 0.35 + + + * + ++ + Angle PHI LEU 45 -72.00 -52.00 6 3.05 6.93 * + + ++ + Angle PSI LEU 45 -52.00 -32.00 16 7.67 14.34 +++ + ++++++++ ++* + Angle PSI ARG 48 -34.00 -4.00 11 6.25 15.62 + *+++++++ + + Angle PSI CYS 49 -51.00 -5.00 19 14.88 23.51 ++++++++++++++++*++ Angle PHI PHE 50 -112.00 -54.00 12 6.09 18.81 +++ +++ + ++++ * Angle PSI PHE 50 120.00 140.00 9 4.22 12.79 + ++ ++ + + *+ Angle PHI HIS 51 -128.00 -90.00 20 16.94 32.90 ++*+++++++++++++++++ Angle PHI GLU 54 -70.00 -50.00 18 18.68 81.48 ++++++*+++++ + +++++ Angle PSI GLU 54 -38.00 -16.00 12 8.23 32.64 +* ++ +++ +++++ Angle PHI ALA 55 -80.00 -58.00 19 22.62 45.41 ++*++ ++++++++++++++ Angle PSI ALA 55 -50.00 -30.00 6 3.65 15.72 + + + * + + Angle PHI THR 56 -112.00 -82.00 10 5.39 14.35 + + + +++ *++ + Angle PSI THR 56 -15.00 15.00 18 24.12 51.06 ++++++++++++++++* + Angle PSI PRO 58 -41.00 -31.00 15 10.39 23.19 + ++ ++++*++++++ + Angle PHI GLN 59 -77.00 -57.00 18 19.11 35.97 ++++*++++++++ +++++ Angle PSI GLN 59 -46.00 -26.00 14 21.71 42.77 + ++ +++*++ + + +++ Angle PHI GLU 60 -75.00 -55.00 16 24.37 58.02 ++++++++ + * ++++ ++ Angle PHI ALA 61 -72.00 -52.00 9 5.70 21.46 ++ ++ ++ *++ Angle PSI ALA 61 -53.00 -33.00 16 15.15 34.81 +++++++++++ + +++ * Angle PHI LEU 62 -71.00 -51.00 16 17.74 47.66 ++ +++++*++++ + ++ + Angle PSI ALA 63 -48.00 -28.00 15 11.14 22.86 +*+++++++ ++ ++ ++ Angle PHI GLN 64 -78.00 -58.00 10 5.42 15.50 +++ ++ +* + + + Angle PSI GLN 64 -51.00 -31.00 11 5.60 11.33 + ++++ + ++++ * Angle PSI LEU 65 -52.00 -32.00 6 4.91 19.61 * +++ + + Angle PHI ARG 66 -76.00 -56.00 15 9.34 16.70 ++ ++++*++++++ ++ Angle PSI ARG 66 -50.00 -30.00 9 5.03 13.14 + +*++ ++ + + Angle PHI CYS 69 -76.00 -56.00 7 3.00 12.32 + +++ + + * Angle PHI ARG 70 -73.00 -53.00 6 3.51 7.05 + + + + +* Angle PSI SER 79 155.00 175.00 13 8.46 14.55 + ++++ +++ ++ ++* Angle PHI LYS 80 -69.00 -49.00 15 6.51 10.30 +++*++ +++ +++ +++ Angle PSI LYS 80 -48.00 -28.00 10 4.85 10.16 +++++ + * + + + Angle PSI GLU 81 -50.00 -30.00 20 11.29 16.43 +++++++++++++*++++++ Angle PHI GLN 82 -76.00 -56.00 17 11.61 16.92 * + ++++ +++++++++++ Angle PHI MET 83 -75.00 -55.00 7 4.72 12.72 + + + +* ++ Angle PSI MET 83 -52.00 -32.00 9 3.85 9.27 + + + * ++ ++ + Angle PSI GLU 85 -54.00 -34.00 16 9.25 18.05 + ++ ++ ++*++++++++ Angle PHI LEU 87 -77.00 -57.00 20 25.63 31.01 +++++++*++++++++++++ Angle PSI LEU 87 -51.00 -31.00 19 16.06 22.17 +++++++++*+++++++++ Angle PHI VAL 88 -78.00 -58.00 20 22.28 26.28 ++++++++++++++++*+++ Angle PSI LEU 89 -57.00 -37.00 19 13.59 21.91 +++++++++++++ ++++*+ Angle PSI GLU 90 -52.00 -32.00 19 19.36 30.53 ++++++++++++++++++* Angle PHI GLN 91 -74.00 -54.00 12 6.02 11.81 +++ + ++ ++ +*+ + Angle PSI GLN 91 -46.00 -26.00 8 4.87 15.39 + +* + + +++ Angle PHI PHE 92 -74.00 -54.00 20 17.41 33.08 +++++*++++++++++++++ Angle PHI LEU 93 -72.00 -52.00 19 17.38 37.16 +++++*+++++++++++++ Angle PHI GLY 94 -80.00 -56.00 13 6.18 17.53 +++++ + + + ++++ * Angle PSI PRO 97 132.20 154.90 20 25.22 30.23 ++++++++++++*+++++++ Angle PSI PRO 98 -46.00 -28.00 19 16.44 24.60 ++++++*++++++++++++ Angle PHI GLU 99 -76.00 -56.00 13 7.45 13.68 ++ *+ ++ +++++++ Angle PHI ILE 100 -73.00 -53.00 11 6.03 15.70 + + + +++++++* Angle PHI GLN 101 -71.00 -51.00 9 4.86 9.64 + + + + *++ ++ Angle PSI GLN 101 -51.00 -31.00 12 6.31 20.86 + + + ++++ + +++ * Angle PHI ALA 102 -72.00 -52.00 12 6.80 12.81 ++ +++ ++++* + + Angle PHI ARG 103 -73.00 -53.00 7 3.86 10.22 + + + + +* + Angle PHI GLY 106 -79.00 -59.00 12 6.49 21.34 + +++ +++ +++ + * Angle PSI GLY 106 -40.00 -6.00 20 13.63 26.46 +++++++++++++*++++++ Angle PHI GLY 110 58.00 92.00 16 11.20 24.97 +++ +++ +++++++ ++* Angle PSI PRO 112 -44.00 -28.00 10 5.50 20.48 ++ ++*++ + + + Angle PSI GLU 113 -51.00 -31.00 8 8.84 27.27 + *+ ++ + + + Angle PHI GLU 114 -74.00 -54.00 14 13.27 29.76 +* ++++ + ++ + ++++ Angle PHI ALA 116 -73.00 -53.00 8 4.36 13.50 + ++ + + + + * Angle PSI ALA 116 -50.00 -30.00 11 7.38 24.21 *+ +++ ++ + +++ Angle PHI ALA 117 -74.00 -54.00 17 10.19 24.52 + ++++ +*++++++++++ Angle PSI ALA 117 -50.00 -30.00 8 3.93 18.04 ++ + ++ + +* Angle PHI ASP 120 -69.00 -49.00 13 8.15 18.27 + +++++ *++ ++++ Angle PHI LEU 122 -91.00 -55.00 6 4.08 9.59 *++ + ++ Angle PSI LEU 345 -52.00 -32.00 16 7.17 11.92 +* ++ ++++++ ++++ ++ Angle PSI ARG 348 -34.00 -4.00 9 5.91 16.66 + +++ + ++ * + Angle PSI CYS 349 -51.00 -5.00 19 12.59 23.79 ++++++++++++++++++ * Angle PSI PHE 350 120.00 140.00 15 7.51 33.59 ++ ++++ +++++++ +* Angle PHI HIS 351 -128.00 -90.00 20 17.54 26.72 ++++++++++++*+++++++ Angle PHI TYR 352 -106.00 -68.00 9 5.73 26.55 + + + ++ +* ++ Angle PSI TYR 352 120.00 140.00 6 4.90 17.15 + + +* ++ Angle PHI GLU 354 -70.00 -50.00 18 16.44 36.06 ++++++++++++++++ +* Angle PHI ALA 355 -80.00 -58.00 18 16.48 31.21 +++++++++++++++ +*+ Angle PHI THR 356 -112.00 -82.00 9 6.73 21.36 * + ++ ++ + + + Angle PSI THR 356 -15.00 15.00 15 20.17 52.77 ++++++ ++++ ++++ * Angle PSI PRO 358 -41.00 -31.00 16 13.56 35.02 +++++ ++++++ +*+ + + Angle PHI GLN 359 -77.00 -57.00 17 19.97 45.47 ++++++ ++++++++* + + Angle PSI GLN 359 -46.00 -26.00 14 24.37 52.51 ++ ++++++ +*++++ Angle PHI GLU 360 -75.00 -55.00 16 15.56 56.14 +++++ +*+++ + ++++ + Angle PSI GLU 360 -54.00 -34.00 11 10.22 23.91 ++ *+++++ + ++ Angle PHI ALA 361 -72.00 -52.00 11 11.27 30.65 ++ ++*+++ + ++ Angle PSI ALA 361 -53.00 -33.00 18 19.26 31.63 +++++++ ++*++++++ ++ Angle PHI LEU 362 -71.00 -51.00 17 24.84 41.09 ++++++++ +++++++* + Angle PSI LEU 362 -53.00 -33.00 8 6.55 27.45 + + +++ + * + Angle PHI ALA 363 -76.00 -56.00 6 3.50 17.03 ++++ + * Angle PSI ALA 363 -48.00 -28.00 18 15.88 27.45 +++ ++++*++++++++++ Angle PHI GLN 364 -78.00 -58.00 14 9.30 23.95 + +++*++ +++++++ Angle PSI GLN 364 -51.00 -31.00 10 5.02 14.74 + ++++ ++ + *+ Angle PSI LEU 365 -52.00 -32.00 7 3.69 12.06 ++* + +++ Angle PHI ARG 366 -76.00 -56.00 13 8.10 17.29 +++ * +++++++ + + Angle PHI GLU 367 -79.00 -59.00 6 3.65 20.12 + +++ + * Angle PHI LEU 368 -74.00 -54.00 6 2.64 12.53 + + + + * + Angle PHI ARG 370 -73.00 -53.00 9 4.62 7.88 + +++ +*+ + + Angle PSI VAL 377 -29.00 -5.00 6 4.48 10.91 + +* ++ + Angle PSI SER 379 155.00 175.00 18 9.93 17.87 ++++ +*+++++ +++++++ Angle PHI LYS 380 -69.00 -49.00 10 6.12 15.15 ++++ +++ *+ + Angle PSI LYS 380 -48.00 -28.00 8 3.84 9.42 ++ * ++ ++ + Angle PSI GLU 381 -50.00 -30.00 20 11.72 15.88 ++++*+++++++++++++++ Angle PHI GLN 382 -76.00 -56.00 20 13.95 24.60 +++++++++++++*++++++ Angle PSI MET 383 -52.00 -32.00 14 6.52 12.73 + ++ ++ +++++++*+ Angle PSI GLU 385 -54.00 -34.00 12 8.29 26.85 ++++ ++ *++ ++ + Angle PHI LEU 387 -77.00 -57.00 20 24.92 31.67 +++++++++*++++++++++ Angle PSI LEU 387 -51.00 -31.00 19 15.73 27.61 +++++++++* +++++++++ Angle PHI VAL 388 -78.00 -58.00 20 21.08 24.94 ++++++++++++++*+++++ Angle PSI LEU 389 -57.00 -37.00 19 14.21 29.17 ++ ++++++++++++++++* Angle PSI GLU 390 -52.00 -32.00 20 19.53 42.01 +++++++++++++++++++* Angle PHI GLN 391 -74.00 -54.00 16 8.32 18.43 +++*++ + +++++ ++++ Angle PHI PHE 392 -74.00 -54.00 20 18.85 41.17 +++++++++++++++++++* Angle PHI LEU 393 -72.00 -52.00 18 14.54 28.77 ++++++++++ *++++++ + Angle PHI GLY 394 -80.00 -56.00 12 5.27 10.74 ++++++ + * + + ++ Angle PSI PRO 397 132.20 154.90 20 24.27 31.16 +++++++++++++++++++* Angle PSI PRO 398 -46.00 -28.00 18 12.65 25.06 +++++++++++ +++ +*++ Angle PHI GLU 399 -76.00 -56.00 8 4.75 13.91 + ++ ++ + +* Angle PHI ILE 400 -73.00 -53.00 10 6.80 15.09 + +*+ + + + +++ Angle PHI GLN 401 -71.00 -51.00 8 4.25 9.89 ++ ++ + * ++ Angle PSI GLN 401 -51.00 -31.00 9 5.91 14.10 + + ++ + + + + * Angle PHI ALA 402 -72.00 -52.00 16 8.23 16.82 ++++++++ + *++++ ++ Angle PHI ARG 403 -73.00 -53.00 7 3.50 9.83 ++ * +++ + Angle PSI GLN 405 -52.00 -30.00 6 2.37 7.49 + + * + ++ Angle PHI GLY 406 -79.00 -59.00 12 5.96 11.99 ++*++ + + +++ ++ Angle PSI GLY 406 -40.00 -6.00 18 11.56 23.79 ++++++++++++++++*+ Angle PHI GLY 410 58.00 92.00 12 6.48 15.59 ++*+++ + + + ++ + Angle PSI PRO 412 -44.00 -28.00 11 7.48 21.39 +* ++++ ++ + ++ Angle PSI GLU 413 -51.00 -31.00 9 6.22 25.07 + ++ ++ *+ + + Angle PHI GLU 414 -74.00 -54.00 13 10.28 24.97 +++++ ++ ++*+ + + Angle PSI ALA 415 -49.00 -29.00 7 2.98 9.00 +* + + + + + Angle PHI ALA 416 -73.00 -53.00 8 3.65 11.17 + + *+++ + + Angle PSI ALA 416 -50.00 -30.00 12 10.31 27.79 ++++* + +++ ++ + Angle PHI ALA 417 -74.00 -54.00 17 10.78 22.02 +++++++ ++*+++++++ Angle PSI ALA 417 -50.00 -30.00 7 3.66 13.40 * + ++ +++ Angle PHI ASP 420 -69.00 -49.00 16 8.41 20.05 ++++ ++++ *++++++ + Angle PHI LEU 422 -91.00 -55.00 9 3.89 6.67 + ++ + + + *+ + 510 violated distance constraints. 134 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.67 +/- 0.20 A (0.41..1.22 A; 20 structures) Average heavy atom RMSD to mean : 1.07 +/- 0.17 A (0.85..1.53 A; 20 structures)