Structural statistics: str target upper limits van der Waals torsion angles function # rms max # sum max # rms max 1 730.01 316 0.1778 6.55 531 286.8 1.22 96 9.3200 46.53 2 732.95 308 0.1763 6.64 547 296.1 1.02 9510.0697 56.61 3 735.07 310 0.1748 6.52 563 306.8 1.17 101 9.9176 48.39 4 737.87 335 0.1772 6.79 559 299.4 1.03 9610.1662 52.30 5 740.42 315 0.1753 6.59 578 307.1 1.42 104 9.9559 43.95 6 742.64 349 0.1791 6.68 543 295.4 1.16 95 9.2705 42.08 7 742.88 338 0.1766 6.52 553 301.8 1.18 98 9.4120 42.27 8 743.61 326 0.1776 6.44 553 297.9 1.24 10110.0037 46.35 9 743.76 315 0.1755 6.45 556 305.3 1.29 11110.0951 44.17 10 746.75 312 0.1769 6.69 546 298.0 1.21 9410.1157 50.30 11 747.77 338 0.1800 6.59 546 295.1 1.22 105 9.2540 45.70 12 747.89 313 0.1757 6.72 570 310.1 1.15 10610.1166 43.88 13 748.05 318 0.1778 6.73 554 301.1 1.11 84 9.9622 53.00 14 749.05 315 0.1758 6.47 552 306.4 1.36 104 9.8776 42.47 15 749.57 309 0.1751 6.47 551 307.0 1.36 9510.2031 59.05 16 750.19 333 0.1782 6.58 565 301.0 1.15 101 9.4821 39.79 17 752.63 303 0.1778 6.57 568 301.9 1.16 98 9.6349 49.94 18 753.59 315 0.1762 6.47 560 301.6 1.34 94 9.8188 59.52 19 754.49 310 0.1766 6.35 585 309.6 1.26 11010.3135 45.27 20 756.01 325 0.1778 6.67 565 304.8 1.33 105 9.9588 45.73 Ave 745.26 320 0.1769 6.57 557 301.7 1.22 100 9.8474 47.86 +/- 7.03 12 0.0013 0.11 12 5.6 0.11 6 0.3241 5.56 Min 730.01 303 0.1748 6.35 531 286.8 1.02 84 9.2540 39.79 Max 756.01 349 0.1800 6.79 585 310.1 1.42 11110.3135 59.52 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 0.59 1.25 ++ + *++ + + ++ peak 1528 Upper QB ALA 43 - HE1 TRP 72 5.13 20 0.76 1.06 ++++++*+++++++++++++ peak 258 Upper QD PHE 47 - QD1 LEU 65 3.95 18 0.51 0.85 *+++ ++++++ ++++++++ peak 304 Upper QD PHE 47 - QG2 VAL 88 3.57 20 1.13 1.71 ++++*+++++++++++++++ peak 8237 Upper HZ PHE 47 - QG1 VAL 88 3.76 20 1.04 1.37 +++++++++++*++++++++ peak 293 Upper HB2 PHE 50 - QB ALA 95 5.27 14 0.40 0.86 ++ +++ +++* +++ ++ peak 2012 Upper HB3 PHE 50 - QD1 LEU 68 4.72 15 0.47 0.79 ++ +++ +*++ +++ +++ peak 2009 Upper QD PHE 50 - HB3 GLN 64 4.63 16 0.61 1.08 + +++++++ +*++++++ peak 276 Upper QD PHE 50 - QB ALA 395 3.01 20 6.49 6.72 +++++++++++*++++++++ peak 8165 Upper QE PHE 50 - H HIS 51 4.38 17 0.35 0.55 ++++++*+++ +++++++ peak 76 Upper QE PHE 50 - QG GLU 53 5.50 20 0.64 0.83 ++++++++++++*+++++++ peak 2090 Upper QE PHE 50 - QD1 LEU 65 3.99 20 1.32 1.70 +++++++++++*++++++++ peak 271 Upper QE PHE 50 - QD1 LEU 68 3.94 17 0.79 1.19 *+ ++++++++ +++++++ peak 269 Upper QE PHE 50 - HA PHE 92 4.45 20 1.06 1.25 *+++++++++++++++++++ peak 84 Upper QE PHE 50 - QB ALA 395 3.33 20 4.62 4.82 +++++++++++*++++++++ peak 8164 Upper HB2 HIS 51 - QB ALA 95 5.50 20 0.96 1.43 ++*+++++++++++++++++ peak 2051 Upper HB3 HIS 51 - QB ALA 95 5.50 14 0.48 1.16 ++*+ ++++++ + +++ peak 2046 Upper HD2 HIS 51 - QG GLU 53 4.99 10 0.28 0.53 * ++ + ++ ++ + + peak 2089 Upper HE1 HIS 51 - QG2 THR 56 5.50 16 0.40 0.70 +* +++++ ++ +++++++ peak 1774 Upper H TYR 52 - HG LEU 96 5.22 10 0.97 2.31 + + + *++ ++ ++ peak 793 Upper QB TYR 52 - HD3 PRO 97 5.50 20 0.69 0.88 ++++++++++++++*+++++ peak 3382 Upper QB TYR 52 - QB ALA 395 5.50 20 1.29 1.62 +++*++++++++++++++++ peak 8347 Upper QD TYR 52 - H ALA 61 5.17 20 1.00 1.33 +++++++++++++++++++* peak 870 Upper QD TYR 52 - QB ALA 61 2.84 20 2.35 2.69 +++++++++++++++++++* peak 244 Upper QD TYR 52 - HG3 PRO 97 5.50 18 0.69 1.01 ++++++*+ ++++++++++ peak 3432 Upper QD TYR 52 - HD2 PRO 97 3.20 19 0.93 1.29 +++++++*+ ++++++++++ peak 40 Upper QD TYR 52 - HD3 PRO 97 3.70 19 0.77 1.00 +++++++*+ ++++++++++ peak 241 Upper QD TYR 52 - QB ALA 395 3.67 20 2.98 3.37 *+++++++++++++++++++ peak 8175 Upper QD TYR 52 - HB3 LEU 396 5.50 20 2.09 3.68 ++++++++*+++++++++++ peak 8340 Upper QD TYR 52 - QD2 LEU 396 3.68 20 1.60 1.98 ++++++++++++++++*+++ peak 8183 Upper QD TYR 52 - QD1 ILE 400 4.09 20 1.78 2.15 +++++*++++++++++++++ peak 8115 Upper QE TYR 52 - HA ALA 55 3.73 10 0.29 0.65 + +*+ + ++ + ++ peak 47 QE TYR 52 - HB THR 56 Upper QE TYR 52 - QB ALA 55 4.28 18 0.82 1.26 ++++++++ +++++*++++ peak 235 Upper QE TYR 52 - HA PRO 58 3.75 14 0.77 1.28 +++++ ++ +*+++++ peak 46 Upper QE TYR 52 - HB2 PRO 58 4.77 14 0.43 0.77 +++*+ ++ +++++++ peak 230 Upper QE TYR 52 - HB3 PRO 58 3.38 10 0.29 0.61 + +++ + +* +++ peak 232 Upper QE TYR 52 - HG2 PRO 58 3.21 16 0.56 0.97 +* +++++ ++ +++++++ peak 231 Upper QE TYR 52 - QE PHE 92 5.05 20 0.88 1.21 +++++++++++*++++++++ peak 109 Upper QE TYR 52 - HZ PHE 92 4.30 20 1.95 2.26 *+++++++++++++++++++ peak 115 Upper QE TYR 52 - QG1 VAL 119 4.69 20 0.83 1.16 +++*++++++++++++++++ peak 8240 Upper QE TYR 52 - QG2 VAL 119 3.63 19 0.67 1.30 ++*+ +++++++++++++++ peak 8189 Upper QE TYR 52 - QD ARG 123 5.50 10 0.31 0.91 + + + ++ * ++++ peak 4040 Upper QE TYR 52 - QB ALA 395 4.32 20 2.10 2.74 *+++++++++++++++++++ peak 8176 Upper QE TYR 52 - QD2 LEU 396 3.89 20 1.43 1.79 ++++++*+++++++++++++ peak 8182 Upper QE TYR 52 - QD1 ILE 400 3.72 20 1.54 1.79 +*++++++++++++++++++ peak 8114 Upper HB2 GLU 53 - QB ALA 55 3.77 16 0.98 1.42 + ++++++++ ++*++++ peak 1709 Upper HB2 GLU 53 - HB THR 56 4.31 10 0.27 0.83 * +++++ ++ + + peak 2102 HB THR 56 - HB3 GLU 60 Upper HB2 GLU 53 - QG2 THR 56 4.95 15 0.68 1.05 + +++*+ ++ +++++++ peak 2582 Upper HB3 GLU 53 - QG2 THR 56 4.16 20 1.21 1.52 +++++++*++++++++++++ peak 2081 Upper QG GLU 53 - QB ALA 55 3.51 13 0.38 0.99 + ++ ++ +* + +++ ++ peak 1710 Upper QG GLU 53 - H GLY 57 4.13 7 0.31 0.68 + +* + + + + peak 823 Upper QB ALA 55 - HB THR 56 3.89 17 0.93 1.63 +* ++++++++ +++++++ peak 8150 Upper HA THR 56 - HB THR 56 2.40 20 0.58 0.62 ++++++++++++++++*+++ peak 110 Upper HB THR 56 - HG3 GLU 60 5.16 15 0.68 1.43 + +++++ +* +++++++ peak 2105 Upper QG2 THR 56 - QB ALA 61 3.54 20 0.78 1.63 ++++++++++++*+++++++ peak 1600 Upper HA PRO 58 - H LEU 62 5.50 6 0.26 0.95 *+++ + + peak 875 Upper HB2 PRO 58 - H ALA 117 4.89 20 1.83 2.53 ++*+++++++++++++++++ peak 1290 Upper HB2 PRO 58 - H VAL 119 5.50 19 0.77 1.08 + +++++*++++++++++++ peak 2171 Upper HB3 PRO 58 - QB ALA 116 3.67 20 1.18 2.16 ++*+++++++++++++++++ peak 2138 Upper HG2 PRO 58 - HB2 ASP 120 3.94 20 1.41 1.80 +++++++++++++++*++++ peak 1489 Upper HG2 PRO 58 - HB3 ASP 120 3.92 20 1.15 1.40 +++++++*++++++++++++ peak 1486 Upper HD3 PRO 58 - HE21 GLN 59 4.97 10 0.36 0.90 +++++ ++ + *+ peak 843 Upper HD3 PRO 58 - HE22 GLN 59 4.67 11 0.39 0.73 +++ +* ++++ + + peak 866 Upper HD3 PRO 58 - QG2 VAL 119 4.56 15 0.51 0.86 *++++ ++++++++++ peak 1758 Upper H GLN 59 - HG3 GLN 59 3.96 10 0.21 0.52 * +++ + + ++ ++ peak 2219 Upper H GLN 59 - QB ALA 61 4.32 16 0.50 0.81 +++++++++*+ + ++ ++ peak 1672 Upper H GLN 59 - HB2 LEU 62 5.50 15 0.76 2.05 + +++++ ++ +++++*+ peak 838 HB2 LEU 62 - H GLN 359 Upper QB GLN 59 - QB ALA 116 3.12 18 0.89 1.43 +++++++++++*++++++ peak 8137 Upper HE21 GLN 59 - QB ALA 117 4.41 20 0.95 2.51 +++++++++++++*++++++ peak 849 Upper HE22 GLN 59 - QB ALA 117 4.63 19 1.16 2.35 +++++++++++++++*+++ peak 855 Upper HB2 GLU 60 - QB ALA 61 3.58 20 0.48 0.66 *+++++++++++++++++++ peak 1607 Upper HB3 GLU 60 - HE22 GLN 64 5.27 6 0.22 0.55 + +* + ++ peak 925 Upper H ALA 61 - H ALA 63 3.31 20 0.45 0.78 +++++++*++++++++++++ peak 178 Upper QB ALA 61 - HB2 LEU 65 4.12 15 0.65 1.84 +++ ++++ * +++++++ peak 8142 Upper QB ALA 61 - QE PHE 92 3.31 20 1.01 1.35 +++++++*++++++++++++ peak 158 Upper QB ALA 61 - HZ PHE 92 4.16 20 1.21 1.73 +++++++*++++++++++++ peak 171 Upper QB ALA 61 - QD PHE 392 3.23 20 4.41 4.90 +++*++++++++++++++++ peak 8145 Upper QB ALA 61 - QE PHE 392 3.18 20 3.04 3.37 +++*++++++++++++++++ peak 8146 Upper H LEU 62 - HB2 LEU 62 3.17 6 0.11 0.39 * ++ + + + peak 883 Upper H LEU 62 - HG LEU 62 3.15 18 0.69 0.87 ++*++++ ++ +++++++++ peak 884 Upper H LEU 62 - HG3 GLN 359 4.45 15 0.95 1.43 + +++++ ++ +++++*+ peak 880 Upper HB3 LEU 62 - H ALA 116 4.50 20 1.10 1.60 +++++++++++++++++++* peak 2297 Upper HB3 LEU 62 - QB ALA 116 3.64 19 0.93 1.63 ++ ++++++++++++++++* peak 8139 Upper HG LEU 62 - QE PHE 92 3.23 10 0.33 0.75 + ++ ++ * + + ++ peak 180 QE PHE 92 - QB ALA 115 Upper HG LEU 62 - HG3 PRO 112 4.13 7 0.40 1.41 + ++ + +* + peak 3779 Upper HG LEU 62 - HG2 GLU 113 5.06 20 0.98 2.15 ++++++++++++*+++++++ peak 3840 Upper QD1 LEU 62 - H GLU 113 5.15 13 0.40 0.74 + +++ + + *++++++ peak 2307 Upper QD1 LEU 62 - HA GLU 113 4.44 9 0.26 0.82 + ++ + + +*++ peak 3837 Upper QD1 LEU 62 - HG2 GLU 113 5.50 13 0.42 1.03 + *++ + + +++++++ peak 3832 Upper QD1 LEU 62 - HG3 GLU 113 5.39 6 0.21 0.74 + + +++* peak 3835 Upper QD1 LEU 62 - QB ALA 116 3.07 9 0.23 0.60 + ++ *+ + + ++ peak 1619 Upper QD1 LEU 62 - H ALA 117 5.50 18 0.78 1.15 +++++++ *+ +++++++++ peak 1299 Upper QD1 LEU 62 - QG1 VAL 388 3.34 20 1.53 1.92 +++++*++++++++++++++ peak 8300 Upper QD1 LEU 62 - HZ PHE 392 3.69 20 2.43 3.19 ++++++++++*+++++++++ peak 8306 Upper QD1 LEU 62 - HB2 PRO 412 4.16 6 0.17 0.58 ++ + +* + peak 8265 Upper QD1 LEU 62 - HB3 PRO 412 4.30 20 1.01 1.30 +++++++*++++++++++++ peak 8267 Upper QD2 LEU 62 - HB2 LEU 65 5.50 8 0.20 0.59 + + + +++*+ peak 2366 Upper QD2 LEU 62 - HG LEU 65 5.50 11 0.50 1.41 ++ ++ +* ++ +++ peak 2375 Upper QD2 LEU 62 - QD1 LEU 65 3.78 16 0.39 0.73 ++ +++*+ ++ +++++++ peak 2361 Upper QD2 LEU 62 - QB ARG 66 3.60 12 0.35 0.65 + ++++ ++*+++ + peak 8209 Upper QD2 LEU 62 - HA VAL 88 5.50 7 0.23 0.51 *+ ++ + ++ peak 3141 Upper QD2 LEU 62 - H LEU 89 4.33 20 1.24 1.62 +++++++++++++++++*++ peak 2314 Upper QD2 LEU 62 - H PHE 92 4.60 20 1.44 1.63 +++++++*++++++++++++ peak 2317 Upper QD2 LEU 62 - HA PHE 92 5.50 19 0.49 0.83 + *+++++++++++++++++ peak 3228 Upper QD2 LEU 62 - QE PHE 92 3.90 20 1.02 1.21 ++++++++++*+++++++++ peak 166 Upper QD2 LEU 62 - QB ALA 115 5.50 16 0.44 0.78 ++++ ++++++ ++ +*++ peak 1678 Upper QD2 LEU 62 - H ALA 116 4.76 20 1.45 1.69 +++++*++++++++++++++ peak 977 Upper QD2 LEU 62 - HG3 GLN 359 4.06 6 0.26 1.19 + + +*++ peak 8211 QD2 LEU 362 - HG2 GLU 413 Upper QD2 LEU 62 - QG1 VAL 388 3.05 20 1.62 2.29 ++++++++++++*+++++++ peak 8207 Upper QD2 LEU 62 - QD PHE 392 3.38 20 2.14 2.44 +++++++++++++++*++++ peak 8215 Upper QD2 LEU 62 - QE PHE 392 3.78 20 2.02 2.38 ++++++++++++++++*+++ peak 8216 Upper QD2 LEU 62 - HB2 PRO 412 3.95 6 0.20 0.48 + +* + + + peak 8264 Upper QD2 LEU 62 - HB3 PRO 412 4.12 20 1.10 1.60 +++*++++++++++++++++ peak 8266 Upper QD2 LEU 62 - HG3 PRO 412 3.98 13 0.49 1.14 + *++ + ++ + ++++ + peak 8268 Upper H ALA 63 - QB GLN 359 4.06 15 0.79 1.22 * +++++ ++ +++++++ peak 897 Upper H ALA 63 - HG3 GLN 359 4.49 15 0.81 1.19 + +++++ ++ ++++*++ peak 896 Upper HA GLN 64 - HE22 GLN 64 5.50 16 0.37 0.58 ++++++++ + ++++++* peak 394 Upper HB3 LEU 65 - HG2 PRO 112 4.41 20 1.51 1.98 ++++++*+++++++++++++ peak 3787 Upper QD1 LEU 65 - H GLU 67 5.50 20 0.68 0.84 ++++++++++++++++*+++ peak 957 Upper QD1 LEU 65 - H LEU 89 3.70 19 0.45 0.63 +++*+++++++ ++++++++ peak 1132 Upper QD1 LEU 65 - HG2 PRO 112 5.44 6 0.17 0.55 +++ + +* peak 3790 Upper QD2 LEU 65 - QD PHE 92 4.14 20 1.27 1.75 +++++*++++++++++++++ peak 2402 Upper QD2 LEU 65 - QB ALA 95 4.81 13 0.40 0.95 + +++++ ++ ++ + +* peak 8169 Upper HD2 ARG 66 - QG2 VAL 88 4.03 6 0.23 0.59 + +* + + + peak 3150 Upper H LEU 68 - QD2 LEU 68 3.78 8 0.21 0.59 ++ + +* + + + peak 970 Upper H ARG 70 - HB3 LEU 73 4.51 20 1.00 1.99 +++++++++++++++++++* peak 991 Upper H ARG 70 - QG2 VAL 88 4.64 10 0.32 0.72 + ++*++++ ++ peak 992 Upper HG3 ARG 70 - H ARG 74 5.50 7 0.24 0.53 ++ + ++ + * peak 2604 Upper H TRP 72 - HG LEU 73 4.90 14 0.34 0.57 +++ + +*+ +++++++ peak 1935 HZ2 TRP 72 - HG LEU 73 Upper H TRP 72 - QD2 LEU 73 5.50 9 0.28 0.61 + + + *+++++ peak 1341 Upper HD1 TRP 72 - HB3 LEU 73 4.93 8 0.24 0.74 ++* +++ ++ peak 225 Upper HE3 TRP 72 - HG LEU 73 4.80 17 1.03 1.48 +++++ +++*+ +++++++ peak 1934 Upper HE1 TRP 72 - QD2 LEU 73 5.10 18 0.62 0.97 +++*++++++++ ++++++ peak 1791 Upper HE1 TRP 72 - HG LEU 87 5.50 20 0.56 0.83 ++++++++++++*+++++++ peak 264 Upper HZ2 TRP 72 - QD1 LEU 86 5.23 10 0.33 1.31 ++*+++++ ++ peak 3081 Upper H LEU 73 - QD2 LEU 73 3.93 8 0.24 0.37 + + + *++ ++ peak 1789 Upper H LEU 73 - QE MET 83 5.13 6 0.23 0.74 + ++ * ++ peak 8128 Upper HB2 LEU 73 - HD3 PRO 75 4.80 18 0.84 1.16 ++++ +++++*+ +++++++ peak 2679 Upper HB3 LEU 73 - QD2 LEU 87 3.10 19 0.54 0.71 ++++++*+++++ +++++++ peak 8229 HG LEU 73 - QD2 LEU 87 Upper QD1 LEU 73 - H LEU 86 5.50 9 0.31 0.78 ++ + ++ + ++ * peak 1100 Upper QD2 LEU 73 - HA LEU 86 5.50 18 0.51 0.96 +++ ++++++*++++++++ peak 1785 Upper QD2 LEU 73 - HG LEU 86 5.50 6 0.17 1.19 + *+ + + + peak 3066 Upper H ARG 74 - QG2 VAL 77 5.32 6 0.27 0.51 + + + * + + peak 1739 Upper HD2 PRO 75 - H VAL 77 5.50 6 0.24 0.37 *+ + ++ + peak 304 Upper HD2 PRO 75 - QG2 VAL 77 5.50 6 0.23 0.48 + + *++ + peak 1735 Upper HB VAL 77 - HB3 ARG 78 4.22 20 0.52 1.20 +++++++++++*++++++++ peak 2776 Upper HD2 ARG 78 - H MET 83 4.97 13 0.26 0.38 *++++ ++++ + ++ + peak 1067 Upper H SER 79 - H GLN 82 4.47 11 0.31 0.40 ++++* ++ + +++ peak 340 Upper HA LYS 80 - QE MET 83 3.00 20 0.63 0.78 +++++++++++++++*++++ peak 1639 Upper H GLN 82 - QG GLN 82 3.22 8 0.18 0.59 ++ + * ++ ++ peak 1056 Upper H GLN 82 - HG2 MET 83 5.50 16 0.45 0.76 + ++++++++* ++++++ peak 2982 Upper QB LEU 84 - HB VAL 88 4.16 10 0.28 1.10 + + +++++ * ++ peak 3001 Upper QB LEU 84 - QG1 VAL 88 4.20 12 0.27 0.49 ++ * +++ ++++++ peak 2998 Upper H LEU 86 - HG LEU 86 3.52 20 0.69 0.83 *+++++++++++++++++++ peak 3075 Upper QD2 LEU 86 - HB2 LEU 87 4.65 13 0.48 1.50 ++ ++* ++ +++ ++ + peak 3052 Upper HB VAL 88 - H LEU 89 3.24 12 0.36 0.85 + ++++++++ * ++ peak 1130 Upper QG1 VAL 88 - QD1 LEU 362 3.34 20 1.66 2.22 ++++++++++++*+++++++ peak 8300 Upper QG1 VAL 88 - QD2 LEU 362 3.05 20 1.97 2.25 ++++*+++++++++++++++ peak 8207 Upper QD1 LEU 89 - HD2 PRO 112 5.50 6 0.17 0.52 ++ + + * + peak 3775 Upper QD2 LEU 89 - QD PHE 92 4.95 8 0.22 0.68 + ++++ + + * peak 3200 Upper QD2 LEU 89 - H ALA 116 4.94 7 0.15 0.61 + + ++ *+ + peak 979 Upper HA GLN 91 - H ALA 95 5.50 19 0.42 0.60 +++++++++++* +++++++ peak 1860 Upper HE21 GLN 91 - QB ALA 95 4.31 8 0.29 0.52 + +++ + ++* peak 1064 Upper HE22 GLN 91 - QB ALA 95 4.61 9 0.34 1.27 ++ + + + + *++ peak 1719 Upper QD PHE 92 - QD2 LEU 96 5.10 6 0.15 0.49 + ++*+ + peak 153 Upper QD PHE 92 - QB ALA 361 3.23 20 4.43 4.82 +*++++++++++++++++++ peak 8145 Upper QD PHE 92 - QD2 LEU 362 3.38 20 1.86 2.50 ++*+++++++++++++++++ peak 8215 Upper QE PHE 92 - QB ALA 361 3.18 20 2.94 3.33 +*++++++++++++++++++ peak 8146 Upper QE PHE 92 - QD2 LEU 362 3.78 20 1.60 2.42 *+++++++++++++++++++ peak 8216 Upper HZ PHE 92 - QB ALA 115 4.21 20 0.91 1.29 ++++++++++++++*+++++ peak 178 Upper HZ PHE 92 - HB VAL 119 4.66 18 1.17 2.03 ++++ ++++*++ +++++++ peak 3966 Upper HZ PHE 92 - QG1 VAL 119 3.72 15 0.52 1.01 +*+ +++++++ ++ +++ peak 174 Upper HZ PHE 92 - QD1 LEU 362 3.69 20 2.42 3.10 *+++++++++++++++++++ peak 8306 Upper HA LEU 93 - HG LEU 96 4.79 9 0.31 0.77 ++ ++ +++ +* peak 3330 Upper HG LEU 93 - QD1 LEU 96 5.19 6 0.18 0.51 * + + + + + peak 3265 Upper QD1 LEU 93 - HG3 PRO 109 3.46 8 0.27 0.50 + + ++ * + ++ peak 3270 Upper HA3 GLY 94 - HB2 LEU 96 5.50 19 0.57 0.84 +++++++++ +++++*++++ peak 3340 Upper H ALA 95 - QD2 LEU 96 5.50 8 0.17 0.54 * ++++ +++ peak 1112 Upper QB ALA 95 - QD PHE 350 3.01 20 6.29 6.79 +++*++++++++++++++++ peak 8165 Upper QB ALA 95 - QE PHE 350 3.33 20 4.42 4.74 +++*++++++++++++++++ peak 8164 Upper QB ALA 95 - QB TYR 352 5.50 20 1.43 1.60 ++++++++++++++++*+++ peak 8347 Upper QB ALA 95 - QD TYR 352 3.67 20 3.28 3.57 ++++++++++++++++*+++ peak 8175 Upper QB ALA 95 - QE TYR 352 4.32 20 2.63 3.03 ++++++++++++++++*+++ peak 8176 Upper H LEU 96 - HG3 GLN 101 5.50 17 0.52 0.88 +++ +++++ ++ *++++++ peak 4101 Upper HB2 LEU 96 - HG2 GLN 101 4.05 6 0.26 0.52 ++ +*+ + peak 4096 Upper HB2 LEU 96 - HE22 GLN 101 4.93 19 0.49 0.84 +++++++++ +++*++++++ peak 1206 Upper HB3 LEU 96 - QD TYR 352 5.50 20 1.64 3.19 +++++++++*++++++++++ peak 8340 Upper QD1 LEU 96 - HG13 ILE 100 5.50 8 0.23 0.74 + *++ ++ ++ peak 3470 Upper QD1 LEU 96 - HA VAL 104 5.50 17 0.47 0.67 + ++++*+++ ++++++++ peak 3590 Upper QD1 LEU 96 - H GLN 105 5.50 10 0.26 0.53 +++++ * +++ + peak 3359 Upper QD1 LEU 96 - QB ALA 115 4.70 6 0.19 0.50 *+ ++ ++ peak 1679 Upper QD2 LEU 96 - HG2 PRO 97 4.44 19 0.84 1.24 +++++++++ ++++++++*+ peak 1748 Upper QD2 LEU 96 - H ILE 100 5.50 6 0.14 0.57 *+ ++ ++ peak 284 Upper QD2 LEU 96 - QG2 ILE 100 3.23 9 0.40 1.27 + + ++ +++ *+ peak 3465 Upper QD2 LEU 96 - HB3 GLN 101 5.50 17 0.45 0.79 +++++++++++++*+++ peak 4064 Upper QD2 LEU 96 - QQG VAL 104 4.19 7 0.21 0.44 ++ * +++ + peak 3592 Upper QD2 LEU 96 - QD TYR 352 3.68 20 1.23 2.19 *+++++++++++++++++++ peak 8183 Upper QD2 LEU 96 - QE TYR 352 3.89 20 1.33 1.92 *+++++++++++++++++++ peak 8182 Upper QG GLU 99 - QG2 ILE 100 4.78 7 0.18 0.57 + ++ ++ * + peak 1613 Upper QG2 ILE 100 - QG1 VAL 119 3.45 16 0.62 1.35 ++++ ++++ ++ ++* +++ peak 1610 Upper QD1 ILE 100 - QD TYR 352 4.09 20 1.44 2.18 ++*+++++++++++++++++ peak 8115 Upper QD1 ILE 100 - QE TYR 352 3.72 20 1.48 1.84 ++*+++++++++++++++++ peak 8114 Upper HA VAL 104 - QD2 LEU 118 4.96 8 0.26 0.58 + * + ++ + ++ peak 3938 Upper H GLN 107 - H ARG 108 3.50 17 0.77 1.05 ++++++++ +++++*+ ++ peak 491 Upper HA GLN 107 - HE21 GLN 107 5.07 6 0.22 0.51 + ++* + + peak 508 Upper H SER 111 - HG3 GLU 114 5.06 7 0.22 0.56 +++ +*+ + peak 3863 Upper HB2 PRO 112 - QD1 LEU 362 4.16 14 0.47 0.98 ++ +++ + + +*+++++ peak 8265 Upper HB3 PRO 112 - QD1 LEU 362 4.30 20 1.27 1.75 +++++++++++++*++++++ peak 8267 Upper HB3 PRO 112 - QD2 LEU 362 4.12 20 1.22 1.46 +++++++++++++*++++++ peak 8266 Upper HG3 PRO 112 - QD2 LEU 362 3.98 16 0.69 1.16 *+ +++++ ++ +++++++ peak 8268 Upper HG2 GLU 113 - QB ALA 116 5.50 9 0.26 0.62 ++ ++ + *+ ++ peak 3838 Upper HG3 GLU 113 - QB ALA 116 4.51 17 1.05 1.79 + +* ++++++++++ ++++ peak 3839 Upper QB GLU 114 - H ALA 117 4.06 20 0.92 1.22 +++++++++++++*++++++ peak 1292 Upper HG3 GLU 114 - H ALA 115 4.56 9 0.23 0.46 + ++ ++ * + ++ peak 3865 Upper HG3 GLU 114 - QD1 LEU 118 3.60 14 0.33 0.71 +* +++++ +++ + + + + peak 3876 HG3 GLU 114 - QD2 LEU 118 Upper HA ALA 116 - H ASP 120 4.05 17 0.65 1.39 +++++++ ++++++ +*++ peak 624 Upper HA ALA 117 - HB3 ASP 120 4.15 6 0.26 0.60 + *++ + + peak 3899 Upper QB ALA 117 - HB3 ASP 120 5.40 6 0.21 0.50 + * + ++ + peak 1487 Upper HB VAL 119 - QD ARG 123 4.05 13 0.39 0.84 + ++++ ++ +*++++ peak 4028 Upper HA LEU 122 - HG LEU 122 3.19 6 0.16 0.55 ++ + + +* peak 563 Upper HA LEU 122 - QD2 LEU 122 2.75 6 0.23 0.83 *+ + + ++ peak 934 Upper QB ALA 343 - HG LEU 368 3.84 14 0.52 1.08 +*+++ + + ++++ +++ peak 1528 Upper QB ALA 343 - HE1 TRP 372 5.13 20 0.77 1.01 +++++*++++++++++++++ peak 258 Upper QD PHE 347 - QD1 LEU 365 3.95 20 0.73 0.91 ++++++++++*+++++++++ peak 304 Upper QD PHE 347 - QG2 VAL 388 3.57 20 0.91 1.84 +++++++*++++++++++++ peak 8237 Upper HZ PHE 347 - QG1 VAL 388 3.76 20 0.85 1.30 *+++++++++++++++++++ peak 293 Upper HB2 PHE 350 - QB ALA 395 5.27 19 0.60 0.84 + ++++++*+++++++++++ peak 2012 Upper HB3 PHE 350 - QD1 LEU 368 4.72 15 0.41 0.78 + + ++++++++* ++ ++ peak 2009 Upper QE PHE 350 - H HIS 351 4.38 7 0.26 0.45 * + + + ++ + peak 76 Upper QE PHE 350 - H GLU 353 5.50 13 0.39 0.70 + ++++ ++ +++++* peak 797 Upper QE PHE 350 - QG GLU 353 5.50 20 0.70 0.99 ++++++++++++++++++*+ peak 2090 Upper QE PHE 350 - QD1 LEU 365 3.99 20 1.43 1.65 ++++++++++++*+++++++ peak 271 Upper QE PHE 350 - QD1 LEU 368 3.94 19 0.86 1.22 + *+++++++++++++++++ peak 269 Upper QE PHE 350 - HA PHE 392 4.45 20 1.29 1.82 +++++++++++++++++*++ peak 84 Upper HB2 HIS 351 - QB ALA 395 5.50 20 1.15 1.33 +++++++++++++++++++* peak 2051 Upper HB3 HIS 351 - QB ALA 395 5.50 20 0.60 0.89 +*++++++++++++++++++ peak 2046 Upper HD2 HIS 351 - QG GLU 353 4.99 8 0.30 0.60 + + +++ + + * peak 2089 Upper HE1 HIS 351 - QG2 THR 356 5.50 16 0.40 0.62 + + ++++ +++*+++ +++ peak 1774 Upper H TYR 352 - HG LEU 396 5.22 10 0.60 2.44 ++*+ + +++++ peak 793 Upper QB TYR 352 - HD3 PRO 397 5.50 18 0.50 0.86 *+++++++ +++++++++ + peak 3382 Upper QD TYR 352 - H ALA 361 5.17 19 0.61 1.12 *+++++++++++++ +++++ peak 870 Upper QD TYR 352 - QB ALA 361 2.84 20 2.35 2.72 +++++++++++++++++*++ peak 244 Upper QD TYR 352 - HG3 PRO 397 5.50 13 0.45 0.97 * ++++ ++++ ++ + + peak 3432 Upper QD TYR 352 - HD2 PRO 397 3.20 15 0.65 1.22 * +++++ +++++++ + + peak 40 Upper QD TYR 352 - HD3 PRO 397 3.70 16 0.54 0.97 * ++++++ +++++++ + + peak 241 Upper QE TYR 352 - QB ALA 355 4.28 12 0.44 1.06 +++* +++ ++ + ++ peak 235 Upper QE TYR 352 - HG2 PRO 358 3.21 12 0.51 1.09 + ++* ++ ++++ ++ peak 231 Upper QE TYR 352 - QE PHE 392 5.05 20 0.82 1.04 +++++++++*++++++++++ peak 109 Upper QE TYR 352 - HZ PHE 392 4.30 20 2.13 2.29 ++++++++++++*+++++++ peak 115 Upper QE TYR 352 - QG1 VAL 419 4.69 20 0.86 1.11 *+++++++++++++++++++ peak 8240 Upper QE TYR 352 - QG2 VAL 419 3.63 20 0.79 1.23 +++++++++++++++*++++ peak 8189 Upper QE TYR 352 - QD ARG 423 5.50 12 0.38 1.01 + ++++ +* ++++ + peak 4040 Upper HB2 GLU 353 - QB ALA 355 3.77 12 0.56 1.22 * ++ + +++ ++ + ++ peak 1709 Upper HB2 GLU 353 - QG2 THR 356 4.95 11 0.43 1.04 + +* + +++ ++ + + peak 2582 Upper HB3 GLU 353 - QG2 THR 356 4.16 20 1.18 1.63 ++++++++++++*+++++++ peak 2081 Upper QG GLU 353 - QB ALA 355 3.51 12 0.47 0.91 + +++++ * ++++ + peak 1710 Upper QG GLU 353 - H GLY 357 4.13 10 0.34 0.64 + ++ + ++ + ++ * peak 823 Upper QB ALA 355 - HB THR 356 3.89 19 0.98 1.56 + ++++++++++*+++++++ peak 8150 Upper HA THR 356 - HB THR 356 2.40 20 0.57 0.62 ++++++++++++++++++*+ peak 110 Upper HB THR 356 - HG3 GLU 360 5.16 6 0.28 1.44 ++*+ + + peak 2105 Upper QG2 THR 356 - QB ALA 361 3.54 20 1.19 1.45 +++++++++++++++++++* peak 1600 Upper HA PRO 358 - QB ALA 361 3.81 15 0.52 1.18 + +++++ ++ ++++*++ peak 1605 Upper HA PRO 358 - H LEU 362 5.50 17 0.74 1.09 + ++++++ +++++++*++ peak 875 Upper HA PRO 358 - QB ALA 416 5.50 14 0.30 0.54 +++++ ++ +*+++++ peak 1625 Upper HB2 PRO 358 - H ALA 417 4.89 20 2.09 2.45 ++++++++++++++*+++++ peak 1290 Upper HB2 PRO 358 - H VAL 419 5.50 13 0.41 1.22 *+ ++++ +++ ++ ++ peak 2171 Upper HB3 PRO 358 - HZ PHE 392 3.61 15 0.70 1.19 + +++++ ++ +*+++++ peak 170 Upper HB3 PRO 358 - HA ALA 416 4.63 15 0.63 1.02 + +++++ ++ +*+++++ peak 8252 Upper HB3 PRO 358 - QB ALA 416 3.67 20 1.77 2.25 ++++++++++++++*+++++ peak 2138 Upper HG2 PRO 358 - H GLN 359 3.82 6 0.15 0.60 * ++ + + + peak 836 Upper HG2 PRO 358 - HZ PHE 392 3.74 8 0.23 0.84 + +++* + + + peak 169 Upper HG2 PRO 358 - QB ALA 416 4.37 7 0.19 0.66 ++*+ + + + peak 1621 HG3 GLU 413 - QB ALA 416 Upper HG2 PRO 358 - HB2 ASP 420 3.94 20 1.07 1.46 *+++++++++++++++++++ peak 1489 Upper HG2 PRO 358 - HB3 ASP 420 3.92 20 1.01 1.34 +++++++++++++++*++++ peak 1486 Upper HD3 PRO 358 - HE22 GLN 359 4.67 12 0.34 0.84 ++ +++++ * ++ ++ peak 866 Upper HD3 PRO 358 - QG2 VAL 419 4.56 6 0.20 0.76 *+ + + + + peak 1758 Upper H GLN 359 - QB ALA 361 4.32 20 0.98 1.64 +++++++++++++++++*++ peak 1672 Upper H GLN 359 - QD1 LEU 362 3.96 15 1.57 2.29 + +++++ ++ ++*++++ peak 8308 Upper QB GLN 359 - QB ALA 416 3.12 10 0.41 0.92 ++++ + + * + + + peak 8137 Upper HE21 GLN 359 - QB ALA 417 4.41 19 0.74 1.22 +++++++++ +++++*++++ peak 849 Upper HE22 GLN 359 - QB ALA 417 4.63 11 0.57 1.29 ++*+ + +++++ + peak 855 Upper HB2 GLU 360 - QB ALA 361 3.58 18 0.53 0.75 +++++++++++*++ ++ ++ peak 1607 Upper HB3 GLU 360 - HE21 GLN 364 4.53 8 0.25 0.58 + ++ + + +* + peak 916 Upper HB3 GLU 360 - HE22 GLN 364 5.27 6 0.20 0.56 *+ + + + + peak 925 Upper HG3 GLU 360 - QB ALA 361 5.11 8 0.24 0.73 + ++ + +* + + peak 1606 Upper H ALA 361 - H ALA 363 3.31 19 0.63 1.67 ++++++++++++++*++++ peak 178 Upper QB ALA 361 - HB2 LEU 365 4.12 14 0.49 1.33 + +++ ++++++* ++ + peak 8142 Upper QB ALA 361 - QE PHE 392 3.31 20 1.07 1.62 +++++++++++++++++*++ peak 158 Upper QB ALA 361 - HZ PHE 392 4.16 20 1.21 1.81 +++++++++++++++++*++ peak 171 Upper H LEU 362 - HG LEU 362 3.15 19 0.93 1.56 +++++*+++++++++++++ peak 884 Upper HB3 LEU 362 - H ALA 416 4.50 20 1.06 1.60 +*++++++++++++++++++ peak 2297 Upper HB3 LEU 362 - QB ALA 416 3.64 17 0.67 1.56 +++*++++++++++ + ++ peak 8139 Upper HG LEU 362 - QE PHE 392 3.23 16 0.44 0.73 + +++++++* +++++++ peak 180 QE PHE 392 - QB ALA 415 Upper HG LEU 362 - HG3 PRO 412 4.13 10 0.55 1.37 + ++ +* ++ + ++ peak 3779 Upper HG LEU 362 - HG2 GLU 413 5.06 15 0.95 1.68 ++++++ ++ ++++ ++* peak 3840 Upper QD1 LEU 362 - H ALA 417 5.50 19 0.66 1.10 + +++++++*++++++++++ peak 1299 Upper QD2 LEU 362 - HG LEU 365 5.50 7 0.24 0.97 *+ +++ + + peak 2375 Upper QD2 LEU 362 - QD1 LEU 365 3.78 7 0.23 0.73 * +++ + + + peak 2361 Upper QD2 LEU 362 - H LEU 389 4.33 20 1.03 1.56 +++++++++++++++*++++ peak 2314 Upper QD2 LEU 362 - H PHE 392 4.60 20 1.34 1.78 *+++++++++++++++++++ peak 2317 Upper QD2 LEU 362 - HA PHE 392 5.50 15 0.38 0.86 *+++++ ++++++ + ++ peak 3228 Upper QD2 LEU 362 - QE PHE 392 3.90 20 1.00 1.19 +++++*++++++++++++++ peak 166 Upper QD2 LEU 362 - QB ALA 415 5.50 20 0.54 1.10 +++++++++++++++*++++ peak 1678 Upper QD2 LEU 362 - H ALA 416 4.76 20 1.61 2.21 +++++++++++++++*++++ peak 977 Upper HB3 LEU 365 - HG2 PRO 412 4.41 20 1.39 1.92 +*++++++++++++++++++ peak 3787 Upper QD1 LEU 365 - H GLU 367 5.50 20 0.66 0.92 ++++++++++++++++*+++ peak 957 Upper QD1 LEU 365 - H LEU 389 3.70 18 0.49 0.73 ++++*++++ ++ +++++++ peak 1132 Upper QD2 LEU 365 - QD PHE 392 4.14 20 1.15 1.68 *+++++++++++++++++++ peak 2402 Upper QG ARG 366 - HG3 GLU 367 5.50 8 0.19 0.64 *++++ ++ + peak 2459 Upper HD2 ARG 366 - H GLU 367 5.01 6 0.19 0.44 + ++ * + + peak 949 Upper H LEU 368 - QD2 LEU 368 3.78 8 0.20 0.61 * ++ + + + ++ peak 970 Upper H ARG 370 - HB3 LEU 373 4.51 20 1.12 2.06 +++++++++++*++++++++ peak 991 Upper HG3 ARG 370 - H ARG 374 5.50 8 0.27 0.51 * ++ + ++++ peak 2604 Upper H TRP 372 - HG LEU 373 4.90 10 0.30 0.58 ++ + + ++ + + *+ peak 1935 HZ2 TRP 372 - HG LEU 373 Upper H TRP 372 - QD2 LEU 373 5.50 8 0.27 0.67 ++ + + ++ + * peak 1341 Upper HE3 TRP 372 - HG LEU 373 4.80 15 0.90 1.41 ++ + + ++++ +++++*+ peak 1934 Upper HE3 TRP 372 - QD1 LEU 373 4.00 6 0.28 1.10 ++ + +* + peak 1925 Upper HE1 TRP 372 - QD2 LEU 373 5.10 15 0.52 0.77 + * + ++++ ++++++++ peak 1791 Upper HE1 TRP 372 - HG LEU 387 5.50 17 0.50 0.70 ++ +++ ++++ +++++*++ peak 264 Upper HZ2 TRP 372 - QD1 LEU 386 5.23 6 0.27 1.00 + ++ + +* peak 3081 Upper H LEU 373 - QE MET 383 5.13 8 0.23 0.75 +* + + ++++ peak 8128 Upper HB2 LEU 373 - HD3 PRO 375 4.80 15 0.76 1.26 + ++++++++ ++*+ ++ peak 2679 Upper HB3 LEU 373 - QD2 LEU 387 3.10 18 0.50 0.66 ++ +++*++++++++++ ++ peak 8229 HG LEU 373 - QD2 LEU 387 Upper QD1 LEU 373 - H MET 383 5.50 7 0.23 0.82 +* + + + + + peak 1073 Upper QD1 LEU 373 - H LEU 386 5.50 8 0.31 0.81 +++ +*+ + + peak 1100 Upper QD2 LEU 373 - HA LEU 386 5.50 20 0.45 0.85 ++++++++++++*+++++++ peak 1785 Upper HB VAL 377 - HB3 ARG 378 4.22 17 0.45 1.05 + +*++++++ ++++++ ++ peak 2776 Upper HD2 ARG 378 - H MET 383 4.97 10 0.28 0.42 + ++ +++ +*++ peak 1067 Upper HD3 ARG 378 - HA MET 383 5.50 9 0.24 0.42 + + +* +++ ++ peak 2812 Upper H SER 379 - H GLN 382 4.47 7 0.26 0.38 + + + * + + + peak 340 Upper HA LYS 380 - QE MET 383 3.00 20 0.63 0.83 +++*++++++++++++++++ peak 1639 Upper H GLN 382 - QG GLN 382 3.22 6 0.17 0.55 + + + * ++ peak 1056 Upper H GLN 382 - HG2 MET 383 5.50 14 0.36 0.59 ++ + + ++++ +++* ++ peak 2982 Upper QB LEU 384 - HB VAL 388 4.16 6 0.16 0.65 +* + + + + peak 3001 Upper QB LEU 384 - QG1 VAL 388 4.20 6 0.23 0.54 + + + * ++ peak 2998 Upper H LEU 386 - HG LEU 386 3.52 19 0.70 0.79 +++++++++++*+++++++ peak 3075 Upper QD2 LEU 386 - HB2 LEU 387 4.65 13 0.43 1.59 + ++++++ +++ + + * peak 3052 Upper HB VAL 388 - H LEU 389 3.24 7 0.26 0.99 + *+ + + + + peak 1130 Upper QD1 LEU 389 - HD2 PRO 412 5.50 7 0.20 0.48 + + + + +*+ peak 3775 Upper HA GLN 391 - H ALA 395 5.50 20 0.43 0.54 +++++++++*++++++++++ peak 1860 Upper HE21 GLN 391 - QB ALA 395 4.31 9 0.27 0.39 * + + ++ + + ++ peak 1064 Upper HZ PHE 392 - QD1 LEU 396 4.41 7 0.18 0.52 + *+ ++ + + peak 182 Upper HZ PHE 392 - QB ALA 415 4.21 20 0.86 1.35 +*++++++++++++++++++ peak 178 Upper HZ PHE 392 - HB VAL 419 4.66 17 1.04 1.67 *+++++ ++++++ ++ +++ peak 3966 Upper HZ PHE 392 - QG1 VAL 419 3.72 14 0.53 1.34 +* ++++ ++ +++++ + peak 174 Upper HZ PHE 392 - H ASP 420 5.50 8 0.23 0.48 + *+ ++ +++ peak 628 Upper QD1 LEU 393 - HG3 PRO 409 3.46 10 0.38 0.80 + +++++ + ++ * peak 3270 Upper HA3 GLY 394 - HB2 LEU 396 5.50 17 0.43 0.75 +++++*+ +++++++++ + peak 3340 Upper H LEU 396 - HG3 GLN 401 5.50 16 0.41 0.65 ++++ + +*+++++++++ peak 4101 Upper HB2 LEU 396 - HG2 GLN 401 4.05 6 0.18 0.46 * ++ ++ + peak 4096 Upper HB2 LEU 396 - HE22 GLN 401 4.93 15 0.39 0.61 + +++*+ +++++++ + + peak 1206 Upper QD1 LEU 396 - HA VAL 404 5.50 12 0.34 0.60 + ++ ++*+++ + ++ peak 3590 Upper QD1 LEU 396 - H GLN 405 5.50 7 0.14 0.52 + * +++ + + peak 3359 Upper QD2 LEU 396 - HG2 PRO 397 4.44 17 0.74 1.05 ++++++* +++++++++ + peak 1748 Upper QD2 LEU 396 - HG3 PRO 397 5.50 12 0.27 0.59 + +++ *+ +++++ + peak 3410 Upper QD2 LEU 396 - HD2 PRO 397 4.41 7 0.22 0.55 ++ * + + + + peak 3413 Upper QD2 LEU 396 - HB3 GLN 401 5.50 7 0.32 0.70 + *++ + + + peak 4064 Upper QG2 ILE 400 - QG1 VAL 419 3.45 8 0.31 0.73 + ++ + + +* + peak 1610 Upper QG2 ILE 400 - QB ARG 423 3.76 6 0.17 0.39 + + + + +* peak 4039 QD1 ILE 400 - QB ARG 423 Upper QD1 ILE 400 - HA ARG 423 5.16 8 0.21 0.42 + + + + + *+ + peak 3484 Upper HA VAL 404 - QD2 LEU 418 4.96 6 0.22 0.61 + +* + + + peak 3938 Upper H GLN 407 - H ARG 408 3.50 20 0.88 1.01 +++++++*++++++++++++ peak 491 Upper H ARG 408 - HG2 PRO 409 5.50 6 0.22 0.63 + + * ++ + peak 1247 Upper HG3 GLU 413 - QB ALA 416 4.51 17 1.08 1.70 +* ++++++++ +++++++ peak 3839 Upper HA GLU 414 - H ALA 416 4.51 7 0.24 0.41 + + + +*++ peak 3874 Upper QB GLU 414 - H ALA 417 4.06 20 0.74 1.13 +++++++++*++++++++++ peak 1292 Upper HG3 GLU 414 - H ALA 415 4.56 12 0.27 0.42 + ++++++ + *+ ++ peak 3865 Upper HG3 GLU 414 - QD1 LEU 418 3.60 11 0.31 0.63 ++ + + + +*++ ++ peak 3876 HG3 GLU 414 - QD2 LEU 418 Upper HA ALA 416 - H ASP 420 4.05 20 0.59 0.78 +++++++++*++++++++++ peak 624 Upper HA ALA 417 - HB3 ASP 420 4.15 15 0.40 0.63 + +++++ +*+++++ ++ peak 3899 Upper QB ALA 417 - HB3 ASP 420 5.40 11 0.31 0.50 + ++++ * ++ + ++ peak 1487 Upper HB VAL 419 - QD ARG 423 4.05 11 0.44 1.14 *++ ++ + + + +++ peak 4028 VdW HA3 GLY 39 - CD PRO 40 2.60 7 0.11 0.31 ++ + + + + * VdW O ALA 43 - N PHE 47 2.75 9 0.18 0.30 ++ + + * + + ++ VdW O ALA 43 - HB3 PHE 47 2.30 6 0.16 0.35 + + * + + + VdW HB2 PHE 47 - HB3 LEU 68 2.00 13 0.24 0.44 + ++++++++* ++ + VdW CG PHE 47 - C PHE 47 2.90 10 0.19 0.25 ++ ++ + *+ ++ + VdW CZ PHE 47 - HB2 GLN 91 2.60 9 0.17 0.32 + * ++ ++ +++ VdW HZ PHE 47 - C LEU 87 2.50 18 0.39 0.52 ++++++*++++ + ++++++ VdW CD2 PHE 47 - C PHE 47 3.10 6 0.09 0.33 + ++ + + * VdW O PHE 47 - CG GLN 91 2.90 10 0.20 0.40 ++ + +++ *+ + + VdW HA ARG 48 - CG GLN 91 2.60 12 0.23 0.40 + +* ++++ ++ +++ VdW HA ARG 48 - HG2 GLN 91 2.00 12 0.22 0.44 + +++++ ++ +*++ VdW HA ARG 48 - CD GLN 91 2.50 15 0.21 0.34 *+++++++ +++++ ++ VdW HA ARG 48 - OE1 GLN 91 2.30 8 0.16 0.32 ++ *++++ + VdW HB3 PHE 50 - NE2 GLN 91 2.45 6 0.16 0.56 + + * ++ + VdW CD1 PHE 50 - CB ALA 61 3.20 10 0.23 0.56 + + ++ ++ + +*+ VdW HZ PHE 50 - CB GLU 60 2.60 14 0.25 0.40 +++++ ++ +++*+++ VdW HZ PHE 50 - HB3 GLU 60 2.00 14 0.27 0.50 ++*++ ++ +++++++ VdW HZ PHE 50 - CG GLU 60 2.60 19 0.35 0.49 ++ +++++++++++++*+++ VdW CD2 PHE 50 - CB ALA 61 3.20 9 0.20 0.54 ++ ++ + * ++ + VdW CG HIS 51 - C HIS 51 2.90 11 0.18 0.25 * +++ + ++++ + + VdW CG HIS 51 - O HIS 51 2.90 19 0.42 0.54 ++++++++++++ ++++*++ VdW N TYR 52 - O ALA 95 2.75 17 0.31 0.59 +*++ +++++ +++ +++++ VdW H TYR 52 - CA ALA 95 2.55 6 0.15 0.31 * + ++ ++ VdW H TYR 52 - HA ALA 95 1.95 12 0.23 0.39 + +++*+ ++ + ++ + VdW CA TYR 52 - HB THR 56 2.60 10 0.18 0.48 * +++++ + ++ + VdW HA TYR 52 - CB THR 56 2.60 15 0.33 0.56 + +++*+ ++ +++++++ VdW HA TYR 52 - HB THR 56 2.00 15 0.33 0.59 + +++*+ ++ +++++++ VdW HA TYR 52 - CG2 THR 56 2.60 15 0.39 0.57 ++++*+ ++ +++++++ VdW CB TYR 52 - C GLY 57 3.10 14 0.32 0.55 +++++ ++ +++++*+ VdW CB TYR 52 - O GLY 57 2.90 20 0.44 0.56 ++++++++++++++++*+++ VdW HB2 TYR 52 - C THR 56 2.50 13 0.22 0.43 +++++ + *++++++ VdW HB2 TYR 52 - N GLY 57 2.45 9 0.17 0.43 + + + * +++ ++ VdW HB2 TYR 52 - C GLY 57 2.50 14 0.29 0.55 +++++ ++ +++++*+ VdW HB2 TYR 52 - O GLY 57 2.30 20 0.56 0.73 ++++++++++++++++*+++ VdW CG TYR 52 - C TYR 52 2.90 20 0.24 0.24 +++*++++++++++++++++ VdW CG TYR 52 - O TYR 52 2.90 15 0.27 0.41 + +++++ ++ ++++++* VdW CG TYR 52 - CA GLY 57 3.20 12 0.17 0.36 + +++++ + +++ *+ VdW CG TYR 52 - C GLY 57 3.10 14 0.29 0.59 ++++ ++ +++ * ++++ VdW CD1 TYR 52 - C TYR 52 3.10 6 0.09 0.37 * + + + + + VdW CD1 TYR 52 - N GLY 57 3.05 8 0.18 0.67 + + *+ +++ + VdW CD1 TYR 52 - CA GLY 57 3.20 7 0.15 0.59 + ++ *++ + VdW HD1 TYR 52 - N GLY 57 2.45 6 0.12 0.60 *+ +++ + VdW HD1 TYR 52 - N LEU 96 2.45 10 0.15 0.34 + * +++ + + ++ + VdW CE1 TYR 52 - CA GLY 357 3.20 6 0.13 0.39 + + + +* + VdW CE1 TYR 52 - HA2 GLY 357 2.60 6 0.13 0.51 + + * ++ + VdW CZ TYR 52 - N GLY 357 3.05 11 0.21 0.51 +++++ + +++ +* VdW CZ TYR 52 - CA GLY 357 3.20 15 0.50 0.72 + ++*++ ++ +++++++ VdW CZ TYR 52 - HA2 GLY 357 2.60 12 0.23 0.42 + *+++ + ++++++ VdW CZ TYR 52 - HA3 GLY 357 2.60 15 0.27 0.52 + +++++ ++ +++*+++ VdW CE2 TYR 52 - CA GLY 357 3.20 9 0.23 0.57 +++ + + ++ +* VdW CE2 TYR 52 - HA2 GLY 357 2.60 9 0.21 0.57 +++ + + *+ ++ VdW CE2 TYR 52 - HA3 GLY 357 2.60 6 0.10 0.32 + + ++ * + VdW CD2 TYR 52 - C TYR 52 3.10 9 0.13 0.27 + + ++* + + ++ VdW CD2 TYR 52 - N GLY 57 3.05 12 0.27 0.80 * +++++ + + ++ ++ VdW CD2 TYR 52 - H GLY 57 2.55 6 0.15 0.82 + ++ * + + VdW CD2 TYR 52 - CA GLY 57 3.20 10 0.20 0.60 + +*+++ + ++ + VdW HD2 TYR 52 - N GLY 57 2.45 12 0.20 0.55 + +*+++ + + ++ ++ VdW HD2 TYR 52 - H GLY 57 1.95 8 0.16 0.68 ++ + * ++ ++ VdW HD2 TYR 52 - N LEU 96 2.45 6 0.10 0.39 * + + ++ + VdW OH TYR 52 - C ALA 355 2.80 12 0.23 0.66 +++++ * ++++++ VdW OH TYR 52 - O ALA 355 2.60 9 0.19 0.46 ++ ++ * + ++ + VdW OH TYR 52 - N GLY 357 2.75 15 0.35 0.61 + +++++ ++ +++*+++ VdW H GLU 53 - CG GLU 53 2.55 19 0.31 0.38 *+ +++++++++++++++++ VdW H GLU 53 - HB THR 56 1.95 13 0.21 0.40 +++++ + ++*++++ VdW CB GLU 53 - H GLU 54 2.55 18 0.28 0.36 ++ ++++++*++ +++++++ VdW HB2 GLU 53 - N GLU 54 2.45 11 0.20 0.34 * + + ++ + + ++ ++ VdW HB2 GLU 53 - H GLU 54 1.95 14 0.25 0.48 *+ +++ ++ + ++++ ++ VdW O GLU 54 - OH TYR 352 2.60 15 0.36 0.80 + +++++ +* +++++++ VdW CB ALA 55 - HA ASP 420 2.60 11 0.19 0.39 *++++ + + ++++ VdW O ALA 55 - CG PRO 358 2.90 14 0.25 0.41 + +*+++ + +++++++ VdW O ALA 55 - HG3 PRO 358 2.30 6 0.16 0.48 + + + * ++ VdW CG2 THR 56 - O THR 56 2.90 12 0.19 0.34 + +++ +++ *++ ++ VdW C THR 56 - O GLY 57 2.80 12 0.19 0.34 +++++ + ++++*+ VdW C THR 56 - NE2 GLN 359 2.95 13 0.22 0.46 + +++++ * ++++++ VdW O THR 56 - C GLY 57 2.80 9 0.15 0.32 ++++ + ++ *+ VdW O THR 56 - O GLY 57 2.60 14 0.51 0.88 +++++ + +++++*++ VdW O THR 56 - CG GLN 359 2.90 11 0.18 0.38 + + +++ ++ +*++ VdW O THR 56 - HG2 GLN 359 2.30 13 0.24 0.47 +++++ + ++++*++ VdW O THR 56 - CD GLN 359 2.80 7 0.14 0.30 ++ +* + ++ VdW O THR 56 - NE2 GLN 359 2.75 14 0.24 0.52 + +++++ +* ++++ ++ VdW N GLY 57 - HD2 PRO 358 2.45 15 0.32 0.69 + +++++ +* +++++++ VdW H GLY 57 - HD2 PRO 358 1.95 7 0.13 0.35 +*+ + ++ + VdW CA GLY 57 - CD PRO 358 3.20 17 0.39 0.58 + ++++++++* +++++++ VdW CA GLY 57 - HD2 PRO 358 2.60 15 0.50 0.78 + +++++ +* +++++++ VdW CA GLY 57 - N GLN 359 3.05 9 0.13 0.27 + + + * ++ +++ VdW CA GLY 57 - H GLN 359 2.55 15 0.40 0.70 + +++++ +* +++++++ VdW CA GLY 57 - CD GLN 359 3.10 6 0.14 0.33 ++ * ++ + VdW CA GLY 57 - OE1 GLN 359 2.90 7 0.14 0.31 +*++ + ++ VdW HA2 GLY 57 - CD PRO 358 2.60 6 0.16 0.32 + + * + ++ VdW HA2 GLY 57 - HD2 PRO 358 2.00 15 0.34 0.51 + +++++ *+ +++++++ VdW HA3 GLY 57 - N GLN 359 2.45 15 0.37 0.58 + *++++ ++ +++++++ VdW HA3 GLY 57 - H GLN 359 1.95 15 0.52 0.89 + +++*+ ++ +++++++ VdW HA3 GLY 57 - CD GLN 359 2.50 9 0.19 0.55 +++ + + ++ +* VdW HA3 GLY 57 - OE1 GLN 359 2.30 13 0.39 0.73 +++++ + +++*+++ VdW C GLY 57 - CB GLN 359 3.10 15 0.38 0.71 + +++++ ++ +*+++++ VdW C GLY 57 - HB2 GLN 359 2.50 15 0.64 1.15 + +++++ ++ +*+++++ VdW O GLY 57 - HB2 GLN 359 2.30 6 0.15 0.51 + + +* ++ VdW O GLY 57 - HG2 GLN 359 2.30 7 0.12 0.37 + ++ + + +* VdW N PRO 58 - CB GLN 359 3.05 11 0.25 0.46 + +++ + +* ++++ VdW N PRO 58 - HB2 GLN 359 2.45 15 0.58 0.87 + +++++ ++ ++++++* VdW CD PRO 58 - CA GLY 357 3.20 6 0.20 0.60 ++++ + * VdW CD PRO 58 - HA3 GLY 357 2.60 14 0.24 0.50 + +*+ + ++ +++++++ VdW CA PRO 58 - CB ALA 95 3.20 20 0.64 0.84 ++++++++++*+++++++++ VdW CA PRO 58 - HB1 ALA 95 2.60 16 0.33 0.64 ++++*++++ +++++++ VdW CA PRO 58 - HB2 ALA 95 2.60 9 0.19 0.65 ++ ++ + * ++ + VdW CA PRO 58 - HB3 ALA 95 2.60 11 0.31 0.71 + * + ++++++ ++ VdW CA PRO 58 - HB2 GLN 359 2.60 11 0.16 0.37 + +++ * ++ ++++ VdW HA PRO 58 - CB ALA 95 2.60 20 0.89 1.24 +++++++*++++++++++++ VdW HA PRO 58 - HB1 ALA 95 2.00 13 0.43 0.87 ++*++ + +++++++ VdW HA PRO 58 - HB2 ALA 95 2.00 11 0.30 0.87 ++++ ++ + * ++ + VdW HA PRO 58 - HB3 ALA 95 2.00 11 0.40 0.95 + * ++ ++ +++ ++ VdW CB PRO 58 - CZ PHE 92 3.20 15 0.40 0.65 + +++*+ ++ +++++++ VdW CB PRO 58 - CB ALA 95 3.20 12 0.21 0.44 +++ + ++ +*+ +++ VdW CB PRO 58 - HB3 ALA 95 2.60 7 0.12 0.38 + + ++++ * VdW HB2 PRO 58 - CE1 PHE 92 2.60 14 0.32 0.71 + + +++ ++++++ *++ VdW HB2 PRO 58 - CZ PHE 92 2.60 15 0.72 1.04 + +++++ ++ *++++++ VdW HB2 PRO 58 - HZ PHE 92 2.00 12 0.22 0.50 * +++ + ++ + ++ ++ VdW HB2 PRO 58 - CE2 PHE 92 2.60 12 0.23 0.61 +++++ + +++*++ VdW HB3 PRO 58 - HG LEU 96 2.00 6 0.13 0.62 +++ + * + VdW HB3 PRO 58 - CD1 LEU 96 2.60 8 0.14 0.59 + *++ ++ ++ VdW CG PRO 58 - N GLU 360 3.05 9 0.15 0.28 + + ++ +*+ ++ VdW HG2 PRO 58 - C GLN 359 2.50 6 0.12 0.32 + + ++ *+ VdW HG2 PRO 58 - N GLU 360 2.45 15 0.31 0.55 + +++++ ++ +*+++++ VdW HG2 PRO 58 - CA GLU 360 2.60 15 0.31 0.64 + +++++ ++ +*+++++ VdW HG2 PRO 58 - HA GLU 360 2.00 8 0.18 0.53 + + + + +* ++ VdW HD2 PRO 58 - N GLN 359 2.45 11 0.17 0.41 + + + + + ++ *+++ VdW HD2 PRO 58 - H GLN 359 1.95 10 0.18 0.42 + + + *++++++ VdW HD3 PRO 58 - CA GLY 357 2.60 7 0.15 0.50 * ++ + ++ + VdW HD3 PRO 58 - HA3 GLY 357 2.00 15 0.42 0.68 + +*+++ ++ +++++++ VdW C PRO 58 - CB GLN 359 3.10 12 0.31 0.60 + +++ + ++++*++ VdW C PRO 58 - HB3 GLN 359 2.50 11 0.26 0.69 + +++ + ++ +*++ VdW O PRO 58 - C GLN 59 2.80 10 0.17 0.33 + +++ +*++ ++ VdW O PRO 58 - CB ALA 95 2.90 6 0.21 0.93 ++++ * + VdW N GLN 59 - CE1 PHE 92 3.05 6 0.11 0.48 ++* ++ + VdW N GLN 59 - CA GLN 359 3.05 11 0.21 0.60 + +++ + *+ ++++ VdW N GLN 59 - CB GLN 359 3.05 15 0.68 0.99 + +++++ ++ ++++*++ VdW N GLN 59 - HB2 GLN 359 2.45 9 0.19 0.48 * +++ ++ ++ + VdW N GLN 59 - HB3 GLN 359 2.45 15 0.73 1.10 + +++++ ++ ++++*++ VdW N GLN 59 - C GLN 359 2.95 11 0.37 0.99 + +++ + +* ++++ VdW N GLN 59 - O GLN 359 2.75 11 0.52 1.36 + +++ + *+ ++++ VdW H GLN 59 - CA GLN 359 2.55 10 0.21 0.65 + + + + *+ ++++ VdW H GLN 59 - CB GLN 359 2.55 15 0.35 0.66 * +++++ ++ +++++++ VdW H GLN 59 - C GLN 359 2.45 11 0.56 1.30 + +++ + +* ++++ VdW H GLN 59 - O GLN 359 1.80 9 0.21 0.65 + + + ++ +*++ VdW CA GLN 59 - CD1 LEU 62 3.20 12 0.23 0.47 + ++* + + + +++++ VdW CA GLN 59 - HE1 PHE 92 2.60 7 0.14 0.47 *++ ++ + + VdW CA GLN 59 - CB GLN 359 3.20 19 0.42 0.54 +++ +++++++*++++++++ VdW CA GLN 59 - HB3 GLN 359 2.60 15 0.65 0.96 + +++++ ++ ++*++++ VdW CA GLN 59 - C GLN 359 3.10 7 0.16 0.56 + + + +* ++ VdW CA GLN 59 - O GLN 359 2.90 11 0.53 1.27 + +++ + +* ++++ VdW HA GLN 59 - OE1 GLN 59 2.30 6 0.13 0.56 + +++ * + VdW HA GLN 59 - CD1 LEU 62 2.60 12 0.26 0.56 ++* + + +++++++ VdW HA GLN 59 - CE1 PHE 92 2.60 7 0.18 0.90 + + *++ + + VdW HA GLN 59 - HE1 PHE 92 2.00 8 0.16 0.54 + *+ +++ + + VdW HA GLN 59 - CE2 PHE 92 2.60 6 0.26 0.97 ++ + * + + VdW HA GLN 59 - HE2 PHE 92 2.00 11 0.22 0.69 +* ++ + ++++ + + VdW CB GLN 59 - CA GLN 359 3.20 19 0.49 0.78 + +++++++++++++++*++ VdW CB GLN 59 - CB GLN 359 3.20 20 0.36 0.50 *+++++++++++++++++++ VdW CB GLN 59 - HB3 GLN 359 2.60 12 0.31 0.75 + +++++ ++ *+ ++ VdW CB GLN 59 - C GLN 359 3.10 16 0.54 0.85 + *++++ ++++++++++ VdW CB GLN 59 - O GLN 359 2.90 15 0.79 1.42 + *++++ ++ +++++++ VdW CB GLN 59 - HB3 LEU 362 2.60 10 0.21 0.54 * +++ + +++++ VdW HB2 GLN 59 - CA GLN 359 2.60 15 0.63 1.04 + +++++ ++ *++++++ VdW HB2 GLN 59 - HA GLN 359 2.00 10 0.33 1.00 + +++ + ++ +*+ VdW HB2 GLN 59 - CB GLN 359 2.60 13 0.25 0.47 +++++ ++ *+++++ VdW HB2 GLN 59 - C GLN 359 2.50 15 0.63 1.14 + +*+++ ++ +++++++ VdW HB2 GLN 59 - O GLN 359 2.30 12 0.53 1.20 + +++++ ++ ++ +* VdW HB3 GLN 59 - HB3 LEU 362 2.00 9 0.16 0.51 * +++ ++ ++ + VdW HB3 GLN 59 - CD2 LEU 362 2.60 8 0.16 0.59 + ++ ++ * ++ VdW CG GLN 59 - C GLN 359 3.10 7 0.21 0.91 + + + ++ *+ VdW CG GLN 59 - O GLN 359 2.90 15 0.62 1.09 + *++++ ++ +++++++ VdW CG GLN 59 - N GLU 360 3.05 7 0.16 0.64 * ++ + + + + VdW CG GLN 59 - N LEU 362 3.05 9 0.18 0.42 + +++ + ++ +* VdW CG GLN 59 - CA LEU 362 3.20 7 0.11 0.27 ++*+ ++ + VdW CG GLN 59 - CB LEU 362 3.20 14 0.30 0.56 + +++++ ++ +++ *++ VdW CG GLN 59 - HB3 LEU 362 2.60 13 0.31 0.68 + + *++ ++ ++++++ VdW CG GLN 59 - CG LEU 362 3.20 6 0.12 0.43 ++ + *+ + VdW CG GLN 59 - N ALA 363 3.05 12 0.20 0.50 + +++++ ++ ++ +* VdW CG GLN 59 - H ALA 363 2.55 10 0.23 0.63 + + *++ + ++ ++ VdW HG2 GLN 59 - N LEU 362 2.45 13 0.28 0.65 +++*+ ++ +++ +++ VdW HG2 GLN 59 - CA LEU 362 2.60 6 0.13 0.58 + + ++ + * VdW HG2 GLN 59 - CB LEU 362 2.60 8 0.18 0.70 + + +++++ * VdW HG2 GLN 59 - HB3 LEU 362 2.00 7 0.15 0.70 * +++++ + VdW HG3 GLN 59 - CB LEU 362 2.60 7 0.22 0.78 +++++ + * VdW HG3 GLN 59 - CG LEU 362 2.60 9 0.24 0.84 +*+++ ++ + + VdW HG3 GLN 59 - HG LEU 362 2.00 6 0.18 0.86 +* ++ ++ VdW CD GLN 59 - O GLN 359 2.80 9 0.32 0.92 + + +*+ + + ++ VdW CD GLN 59 - N ALA 363 2.95 6 0.14 0.48 +++ + +* VdW CD GLN 59 - H ALA 363 2.45 7 0.22 0.81 + + ++ + * + VdW CD GLN 59 - CB ALA 363 3.10 10 0.18 0.47 ++*++ ++ + ++ VdW OE1 GLN 59 - HB1 ALA 363 2.30 6 0.11 0.46 + + *++ + VdW NE2 GLN 59 - CB ALA 116 3.05 7 0.17 0.64 * + + + + ++ VdW NE2 GLN 59 - O GLN 359 2.75 7 0.14 0.44 +++ + + +* VdW NE2 GLN 59 - CA GLU 360 3.05 10 0.22 0.51 + +++++ *+ + + VdW NE2 GLN 59 - HA GLU 360 2.45 7 0.15 0.56 * ++ + + ++ VdW NE2 GLN 59 - C GLU 360 2.95 11 0.33 0.85 +++++ *+ +++ + VdW NE2 GLN 59 - O GLU 360 2.75 6 0.11 0.51 + ++ *+ + VdW NE2 GLN 59 - N ALA 361 2.90 7 0.25 1.12 + ++ *+ ++ VdW NE2 GLN 59 - CB ALA 363 3.05 10 0.22 0.64 +*+++ ++ + ++ VdW HE21 GLN 59 - CA GLU 360 2.55 6 0.21 0.65 * + ++ ++ VdW HE21 GLN 59 - C GLU 360 2.45 12 0.43 0.98 *++++ ++ +++ ++ VdW HE22 GLN 59 - CB ALA 116 2.55 9 0.29 0.88 ++++* ++ + + VdW HE22 GLN 59 - HB3 ALA 116 1.95 7 0.11 0.41 ++++* + + VdW C GLN 59 - N ALA 61 2.95 20 0.41 0.52 ++*+++++++++++++++++ VdW C GLN 59 - H ALA 61 2.45 18 0.41 0.75 ++*++++ ++ +++++++++ VdW C GLN 59 - CD1 LEU 62 3.10 10 0.19 0.42 + *+ + + + ++ ++ VdW C GLN 59 - HB3 GLN 359 2.50 15 0.34 0.59 + +++++ +* +++++++ VdW O GLN 59 - C GLU 60 2.80 19 0.38 0.48 +*+++++++ ++++++++++ VdW O GLN 59 - N ALA 61 2.75 20 0.76 1.06 ++++++++++++++++*+++ VdW O GLN 59 - N LEU 62 2.75 16 0.32 0.57 + +++++ +*++++++++ VdW O GLN 59 - CD1 LEU 62 2.90 12 0.27 0.58 +++ + + +++++*+ VdW O GLN 59 - HD11 LEU 62 2.30 6 0.10 0.42 ++ + + *+ VdW O GLN 59 - HD12 LEU 62 2.30 6 0.13 0.45 + + + +* + VdW O GLN 59 - HD13 LEU 62 2.30 6 0.11 0.38 ++ + ++ * VdW N GLU 60 - CB GLN 359 3.05 15 0.26 0.43 + +++++ *+ +++++++ VdW N GLU 60 - HB3 GLN 359 2.45 15 0.30 0.53 + +++++ +* +++++++ VdW N GLU 60 - CG GLN 359 3.05 15 0.41 0.68 + +++++ *+ +++++++ VdW N GLU 60 - HG3 GLN 359 2.45 13 0.36 0.65 +++*+ + +++++++ VdW H GLU 60 - CB GLN 359 2.55 15 0.33 0.79 + +++++ *+ +++++++ VdW H GLU 60 - HB3 GLN 359 1.95 7 0.16 0.53 + + *+ ++ + VdW H GLU 60 - CG GLN 359 2.55 15 0.49 1.03 + +++++ *+ +++++++ VdW H GLU 60 - HG3 GLN 359 1.95 13 0.50 0.85 +++++ + ++*++++ VdW CA GLU 60 - HG3 GLN 359 2.60 8 0.12 0.39 + ++ + ++ +* VdW CB GLU 60 - CG GLN 359 3.20 15 0.39 0.79 * +++++ ++ +++++++ VdW CB GLU 60 - HG2 GLN 359 2.60 13 0.27 0.94 * + +++ ++ ++ ++++ VdW CB GLU 60 - HG3 GLN 359 2.60 10 0.24 0.69 +++++ + ++ +* VdW HB2 GLU 60 - CG GLN 359 2.60 9 0.18 0.51 + +++++ * + + VdW HB2 GLU 60 - HG3 GLN 359 2.00 10 0.16 0.49 +++++ + ++ +* VdW HB2 GLU 60 - CB ALA 416 2.60 15 0.40 0.65 + +++++ +* +++++++ VdW HB2 GLU 60 - HB1 ALA 416 2.00 9 0.20 0.57 ++ ++ ++++* VdW HB2 GLU 60 - HB2 ALA 416 2.00 6 0.12 0.42 + +* + ++ VdW HB2 GLU 60 - HB3 ALA 416 2.00 7 0.11 0.41 *+ ++ + ++ VdW HB3 GLU 60 - CG GLN 359 2.60 11 0.21 0.65 * +++++ + + +++ VdW HB3 GLU 60 - HG2 GLN 359 2.00 13 0.29 0.57 + +++++ +++++*+ VdW O GLU 60 - CG GLN 64 2.90 8 0.13 0.24 + + + +++*+ VdW HB1 ALA 61 - HA PHE 92 2.00 6 0.09 0.45 + ++* + + VdW HB2 ALA 61 - HA PHE 92 2.00 6 0.10 0.51 + + * ++ + VdW C ALA 61 - CG LEU 65 3.10 7 0.15 0.44 + + *++++ VdW C ALA 61 - HG LEU 65 2.50 9 0.24 0.69 + + + + +*+++ VdW O ALA 61 - CG LEU 65 2.90 16 0.47 1.06 ++ +++++ +* +++++++ VdW O ALA 61 - HG LEU 65 2.30 9 0.47 1.29 + + * + +++++ VdW O ALA 61 - CD1 LEU 65 2.90 8 0.24 0.65 + + ++ +* ++ VdW O ALA 61 - CD2 LEU 65 2.90 12 0.27 0.86 + + +++ * ++++++ VdW HA LEU 62 - CD1 LEU 65 2.60 6 0.11 0.37 + * ++++ VdW CB LEU 62 - HD2 PHE 92 2.60 8 0.14 0.53 *+ + +++ + + VdW HB2 LEU 62 - CB PRO 112 2.60 20 0.39 0.55 ++++*+++++++++++++++ VdW HB2 LEU 62 - HB3 PRO 112 2.00 15 0.32 0.54 + +++*+ ++ +++++++ VdW HB3 LEU 62 - HB2 PHE 92 2.00 14 0.24 0.46 + ++++* ++ + +++++ VdW HB3 LEU 62 - HD2 PHE 92 2.00 10 0.23 0.57 ++ ++ + *++ + + VdW CG LEU 62 - HB2 PRO 112 2.60 10 0.16 0.34 + *++ + + + + ++ VdW CD1 LEU 62 - CD2 LEU 362 3.20 7 0.16 0.51 +* + + + ++ VdW CD2 LEU 62 - C LEU 62 3.10 13 0.35 0.64 + *++ + + +++++++ VdW HD23 LEU 62 - C LEU 62 2.50 7 0.16 0.49 + * + +++ + VdW HD23 LEU 62 - O LEU 62 2.30 7 0.13 0.47 * + + +++ + VdW CB ALA 63 - CG GLU 413 3.20 6 0.10 0.34 ++ * + + + VdW N GLN 64 - HG2 GLN 64 2.45 14 0.21 0.32 + +*+++ + +++++++ VdW H GLN 64 - CG GLN 64 2.55 13 0.25 0.41 +++++++ +++*++ VdW O GLN 64 - N LEU 68 2.75 7 0.18 0.30 + +++ * ++ VdW CB LEU 65 - HB VAL 88 2.60 7 0.16 0.47 + +++* + + VdW HB3 LEU 65 - CB VAL 88 2.60 8 0.13 0.56 + +* ++ ++ + VdW HB3 LEU 65 - HB VAL 88 2.00 6 0.16 0.67 + * ++ ++ VdW CG LEU 65 - HG3 GLN 91 2.60 6 0.10 0.36 + ++ + +* VdW O LEU 65 - SG CYS 69 3.10 11 0.21 0.42 ++ ++ *+ +++++ VdW CG GLU 67 - C GLU 67 2.90 19 0.23 0.24 +++++++++++++*++ +++ VdW HA LEU 68 - CD1 LEU 68 2.60 11 0.19 0.37 +*++ + ++ + ++ + VdW CA CYS 69 - HE3 TRP 72 2.60 6 0.17 0.33 + + + + + * VdW HA CYS 69 - HE3 TRP 72 2.00 20 0.41 0.55 +++++++++*++++++++++ VdW O CYS 69 - N TRP 72 2.75 10 0.19 0.29 ++++* + + + ++ VdW CG TRP 72 - C TRP 72 2.90 20 0.24 0.25 +++++*++++++++++++++ VdW CG TRP 72 - N LEU 73 3.05 17 0.30 0.38 ++++*++++++++++++ VdW CZ3 TRP 72 - HG LEU 87 2.60 20 0.31 0.41 ++++++++++*+++++++++ VdW CH2 TRP 72 - HG LEU 87 2.60 7 0.17 0.29 ++*+ + + + VdW HG LEU 73 - C LEU 73 2.50 14 0.19 0.30 ++++ +++ + *+++++ VdW O LEU 73 - C ARG 74 2.80 6 0.18 0.48 *+ ++ + + VdW O LEU 73 - O ARG 74 2.60 16 0.26 0.42 ++++ +*+++ +++++++ VdW HA ARG 74 - CD PRO 75 2.60 20 0.26 0.29 +*++++++++++++++++++ VdW C ARG 74 - H GLU 76 2.45 20 0.37 0.38 ++*+++++++++++++++++ VdW HA PRO 75 - CE MET 83 2.60 19 0.42 0.55 +++++++++++ ++*+++++ VdW H VAL 77 - CG2 VAL 77 2.55 15 0.21 0.33 +++*+ ++++ ++ ++++ VdW O LYS 80 - N LEU 84 2.75 8 0.18 0.26 * + ++ + +++ VdW O LYS 80 - HB2 LEU 84 2.30 14 0.27 0.52 + +++ ++++* ++ +++ VdW O MET 83 - N LEU 86 2.75 12 0.21 0.33 +++ + ++++*+++ VdW O MET 83 - CB LEU 86 2.90 9 0.19 0.32 + +++*+ +++ VdW O MET 83 - HB3 LEU 86 2.30 12 0.31 0.66 ++ ++ +* +++ ++ + VdW O MET 83 - HD21 LEU 87 2.30 8 0.11 0.35 * + +++ +++ VdW O MET 83 - HD23 LEU 87 2.30 8 0.12 0.35 + ++* + + ++ VdW HA LEU 84 - CD2 LEU 87 2.60 9 0.19 0.35 ++ ++ + ++ + * VdW O LEU 84 - HD23 LEU 87 2.30 6 0.11 0.38 + + +*+ + VdW O LEU 84 - CG1 VAL 88 2.90 10 0.19 0.43 + +++++++ *+ VdW O LEU 84 - HG11 VAL 88 2.30 6 0.10 0.38 + * + + + + VdW O GLU 85 - CB LEU 89 2.90 11 0.15 0.30 + ++ +++++ * ++ VdW O GLU 85 - HB3 LEU 89 2.30 13 0.27 0.52 ++ ++*++ ++++++ VdW HG LEU 86 - CD1 LEU 87 2.60 11 0.19 0.40 ++ +* ++ ++ ++ + VdW N LEU 87 - CD1 LEU 87 3.05 19 0.34 0.44 *++++ ++++++++++++++ VdW H LEU 87 - CD2 LEU 87 2.55 18 0.29 0.45 ++++ ++++++* +++++++ VdW O LEU 87 - N GLN 91 2.75 8 0.16 0.44 + +*++ + + + VdW H VAL 88 - CG1 VAL 88 2.55 11 0.17 0.39 + +++++*+ + ++ VdW CG2 VAL 88 - C VAL 88 2.90 10 0.16 0.32 + +++++*+ ++ VdW CG2 VAL 88 - N LEU 89 3.05 9 0.14 0.36 + +++*+++ + VdW O VAL 88 - N PHE 92 2.75 17 0.26 0.38 *++ +++++++ +++++++ VdW O VAL 88 - H PHE 92 1.80 17 0.26 0.41 +++ +++*+++ +++++++ VdW CA LEU 89 - CD2 LEU 89 3.00 10 0.12 0.24 +*+ + + +++++ VdW HB2 LEU 89 - CA SER 111 2.60 14 0.27 0.47 ++++++ + + + ++++ * VdW HB2 LEU 89 - C SER 111 2.50 15 0.40 0.68 ++++*+++ + +++++ + VdW CG LEU 89 - N GLU 90 3.05 9 0.15 0.33 + ++++ ++ + * VdW HG LEU 89 - N GLU 90 2.45 9 0.16 0.52 + ++++ ++ * + VdW HG LEU 89 - H GLU 90 1.95 7 0.13 0.40 + ++ +* + + VdW HG LEU 89 - N SER 111 2.45 9 0.25 0.70 ++ ++ + +++ * VdW CD1 LEU 89 - C LEU 89 3.10 7 0.10 0.30 + ++++ + * VdW CD1 LEU 89 - N GLU 90 3.05 9 0.17 0.33 + *+ + +++++ VdW CD2 LEU 89 - C LEU 89 3.10 11 0.30 0.64 +++ ++ + +++*+ VdW CD2 LEU 89 - CB ALA 115 3.20 11 0.15 0.34 +++ ++ + +++*+ VdW CD GLN 91 - C GLN 91 3.00 18 0.30 0.53 +++++ +++++*+++++ ++ VdW CD GLN 91 - O GLN 91 2.80 17 0.26 0.38 ++*++ ++++++++ ++ ++ VdW NE2 GLN 91 - O GLN 91 2.75 15 0.26 0.49 +++ ++++++++ + +* + VdW O GLN 91 - C PHE 92 2.80 16 0.23 0.31 ++ +++++ ++ ++++++* VdW CD1 PHE 92 - C PHE 92 3.10 11 0.25 0.54 ++ *+ + ++++ + + VdW HD1 PHE 92 - C PHE 92 2.50 11 0.24 0.66 ++ *+ + ++++ + + VdW HD1 PHE 92 - N LEU 93 2.45 11 0.17 0.47 +* ++ + ++++ + + VdW CE1 PHE 92 - HA ALA 116 2.60 8 0.21 0.77 + + +*++ + + VdW CE1 PHE 92 - CB ALA 116 3.20 8 0.16 0.60 * ++ +++ + + VdW CZ PHE 92 - CA ALA 116 3.20 13 0.31 0.54 +++ + ++ ++ +++*+ VdW CZ PHE 92 - HA ALA 116 2.60 13 0.36 0.81 +++ + ++ ++ +++*+ VdW CZ PHE 92 - CB ALA 116 3.20 19 0.52 0.65 + +++++++*++++++++++ VdW CZ PHE 92 - HB1 ALA 116 2.60 8 0.13 0.50 + + * ++ +++ VdW CZ PHE 92 - HB3 ALA 116 2.60 11 0.21 0.49 *++ ++++ + + ++ VdW CE2 PHE 92 - HA ALA 116 2.60 8 0.17 0.56 +++ +++ * + VdW CE2 PHE 92 - CB ALA 116 3.20 10 0.22 0.53 ++ ++ *+++ + + VdW CD2 PHE 92 - C PHE 92 3.10 9 0.20 0.51 + +++ +++ * + VdW HD2 PHE 92 - C PHE 92 2.50 8 0.16 0.59 * ++ +++ + + VdW HD2 PHE 92 - N LEU 93 2.45 8 0.14 0.43 + +++ ++ * + VdW O PHE 92 - N ALA 95 2.75 14 0.24 0.33 *++++ ++ + ++++ ++ VdW O PHE 92 - H ALA 95 1.80 11 0.21 0.32 ++ ++ ++ * ++ ++ VdW O LEU 93 - HG3 GLN 101 2.30 13 0.24 0.36 + ++++ +++ +* +++ VdW HA2 GLY 94 - NE2 GLN 101 2.45 9 0.18 0.28 + + ++ *+ ++ + VdW N LEU 96 - CD2 LEU 96 3.05 8 0.15 0.43 + +*+ ++ ++ VdW H LEU 96 - CG LEU 96 2.55 15 0.21 0.29 * + +++++ ++ +++ +++ VdW H LEU 96 - CD2 LEU 96 2.55 8 0.26 0.71 + ++* ++ ++ VdW HB3 LEU 96 - HD2 PRO 97 2.00 8 0.16 0.30 +*++ +++ + VdW CD1 LEU 96 - CG1 VAL 119 3.20 7 0.12 0.31 *+++ +++ VdW CD2 LEU 96 - CG2 VAL 119 3.20 6 0.10 0.46 + * + + ++ VdW CB PRO 97 - CD PRO 98 3.20 7 0.19 0.31 ++ * + ++ + VdW CB PRO 97 - HD2 PRO 98 2.60 16 0.27 0.41 + ++++ +*+++++ ++++ VdW HB2 PRO 97 - HD2 PRO 98 2.00 18 0.35 0.59 ++++++ ++*+++++ ++++ VdW HG2 PRO 97 - CG GLU 99 2.60 7 0.12 0.46 ++ + * + ++ VdW H GLU 99 - CG GLU 99 2.55 11 0.20 0.35 ++++*+ + ++ + + VdW H GLU 99 - HG2 GLU 99 1.95 7 0.12 0.26 ++ +*++ + VdW N ILE 100 - CG1 ILE 100 2.85 20 0.24 0.24 +++++++*++++++++++++ VdW H ILE 100 - CG1 ILE 100 2.55 20 0.31 0.38 +++*++++++++++++++++ VdW H ILE 100 - HG13 ILE 100 1.95 6 0.16 0.29 + *++ + + VdW CD1 ILE 100 - CB ALA 355 3.20 6 0.14 0.28 + + + * + + VdW CD1 ILE 100 - O ALA 355 2.90 9 0.17 0.38 ++ ++ * ++ + + VdW CB GLN 101 - HE21 GLN 101 2.55 9 0.18 0.23 + ++ + ++ + *+ VdW HG2 PRO 109 - H GLY 110 1.95 15 0.23 0.28 ++++*+ ++ +++ ++ ++ VdW HA GLU 113 - CA ALA 363 2.60 6 0.13 0.42 + + *+ + + VdW HA GLU 113 - CB ALA 363 2.60 15 0.20 0.37 + +++++ ++ +++*+++ VdW O GLU 114 - HG LEU 118 2.30 14 0.27 0.43 +*++++++ + ++ +++ VdW O ALA 115 - HB2 LEU 118 2.30 9 0.16 0.38 ++ +*+++++ VdW CB ALA 116 - CB ALA 363 3.20 11 0.22 0.61 + + ++ ++ *+ ++ + VdW HB2 ALA 116 - CB ALA 363 2.60 8 0.12 0.64 + +++ ++ *+ VdW O ALA 116 - HG22 VAL 119 2.30 7 0.12 0.45 + *+ + + + + VdW O ALA 116 - OE1 GLU 360 2.60 6 0.22 0.80 ++ * ++ + VdW CB ALA 117 - OE1 GLN 364 2.90 7 0.12 0.34 ++ + + * + + VdW CG2 VAL 119 - N ASP 120 3.05 8 0.15 0.33 +++ * + + ++ VdW CG2 VAL 119 - OE1 GLU 360 2.90 8 0.17 0.52 + + + + *+++ VdW CG2 VAL 119 - OE2 GLU 360 2.90 9 0.16 0.41 ++++ ++ +*+ VdW CB ASP 120 - OE1 GLU 360 2.90 7 0.14 0.45 ++++ + +* VdW HB2 ASP 120 - CG2 THR 356 2.60 7 0.10 0.30 + + +* +++ VdW HB3 ASP 120 - OE1 GLU 360 2.30 6 0.12 0.44 *+ + ++ + VdW O ALA 343 - N PHE 347 2.75 13 0.20 0.29 +*+++ + ++++ + ++ VdW HB2 PHE 347 - HB3 LEU 368 2.00 14 0.28 0.47 +++* +++ ++ +++ ++ VdW CE1 PHE 347 - HB3 CYS 369 2.60 7 0.11 0.41 + * ++ + + + VdW CZ PHE 347 - HB2 GLN 391 2.60 6 0.13 0.40 + + + + * + VdW HZ PHE 347 - C LEU 387 2.50 19 0.37 0.52 +*+++++++++++ ++++++ VdW O PHE 347 - HG2 GLN 391 2.30 8 0.14 0.36 + ++ *+ + ++ VdW HA ARG 348 - CD GLN 391 2.50 12 0.23 0.34 * +++++ + + ++++ VdW HA ARG 348 - OE1 GLN 391 2.30 7 0.16 0.32 ++ + * ++ + VdW CD1 PHE 350 - CB ALA 361 3.20 7 0.12 0.45 +++ + *+ + VdW CE1 PHE 350 - C GLU 360 3.10 6 0.10 0.38 * +++ + + VdW CZ PHE 350 - O GLU 360 2.90 8 0.18 0.61 * + ++ ++ ++ VdW HZ PHE 350 - CG GLU 360 2.60 15 0.29 0.45 +++++++ ++ + *++++ VdW HZ PHE 350 - HG2 GLU 360 2.00 7 0.15 0.46 + + + + * ++ VdW CD2 PHE 350 - CB ALA 361 3.20 6 0.13 0.58 +* + + + + VdW CG HIS 351 - C HIS 351 2.90 19 0.24 0.25 +++ +++++++++++++++* VdW CG HIS 351 - O HIS 351 2.90 17 0.35 0.57 ++*+++ + +++++++++ + VdW N TYR 352 - O ALA 395 2.75 19 0.38 0.48 ++++++++++++++++ ++* VdW H TYR 352 - HA ALA 395 1.95 6 0.18 0.65 + *+ + + + VdW CA TYR 352 - HB THR 356 2.60 6 0.14 0.59 + *+ ++ + VdW HA TYR 352 - CB THR 356 2.60 6 0.15 0.60 + *+ ++ + VdW HA TYR 352 - HB THR 356 2.00 6 0.15 0.53 + *+ ++ + VdW HA TYR 352 - CG2 THR 356 2.60 6 0.18 0.58 *++ + + + VdW CB TYR 352 - O GLY 357 2.90 20 0.45 0.59 ++++++++++*+++++++++ VdW CB TYR 352 - O ALA 395 2.90 13 0.22 0.34 +++++ ++ ++* +++ VdW HB2 TYR 352 - HG23 THR 356 2.00 10 0.18 0.50 + ++ ++ +*+++ VdW HB2 TYR 352 - O GLY 357 2.30 20 0.45 0.65 +++++++*++++++++++++ VdW HB3 TYR 352 - CA ALA 395 2.60 6 0.16 0.37 +* ++ + + VdW CG TYR 352 - C TYR 352 2.90 20 0.24 0.24 ++++++++++++++++*+++ VdW CG TYR 352 - O TYR 352 2.90 9 0.20 0.42 + *+ ++ ++ + + VdW CG TYR 352 - C GLY 357 3.10 17 0.46 0.61 + +++++++*+ +++++++ VdW CG TYR 352 - O GLY 357 2.90 15 0.32 0.53 + +++++ ++ ++++++* VdW CD1 TYR 352 - C TYR 352 3.10 6 0.12 0.39 +* + + + + VdW CD1 TYR 352 - N GLY 357 3.05 10 0.34 0.81 +++++ + + +* + VdW CD1 TYR 352 - H GLY 357 2.55 10 0.26 1.10 *++++ + + ++ + VdW CD1 TYR 352 - CA GLY 357 3.20 7 0.16 0.47 +++ * ++ + VdW CD1 TYR 352 - C GLY 357 3.10 9 0.21 0.49 +++ + + *+ ++ VdW CD1 TYR 352 - N PRO 358 3.05 8 0.16 0.49 + + *+ + +++ VdW CD1 TYR 352 - CA PRO 358 3.20 8 0.18 0.56 + + ++ + +*+ VdW CD1 TYR 352 - HA PRO 358 2.60 8 0.15 0.54 + + ++ + +*+ VdW HD1 TYR 352 - N GLY 357 2.45 8 0.16 0.47 + *++ + ++ + VdW HD1 TYR 352 - HA PRO 358 2.00 6 0.11 0.44 *+ + +++ VdW HD1 TYR 352 - C ALA 395 2.50 10 0.19 0.54 ++ + ++* + +++ VdW HD1 TYR 352 - N LEU 396 2.45 6 0.11 0.34 + ++* ++ VdW CE1 TYR 352 - O GLU 353 2.90 9 0.18 0.56 ++++ + + ++ * VdW CE1 TYR 352 - N GLY 357 3.05 7 0.19 0.62 +++ + ++ * VdW CE1 TYR 352 - H GLY 357 2.55 7 0.19 0.55 +++ + ++ * VdW CE1 TYR 352 - CA GLY 357 3.20 7 0.15 0.54 +++ + ++ * VdW CE1 TYR 352 - CD PRO 358 3.20 7 0.13 0.43 + + + * +++ VdW CE1 TYR 352 - HD3 PRO 358 2.60 8 0.18 0.62 + * ++ + +++ VdW HE1 TYR 352 - H GLY 357 1.95 6 0.11 0.44 +++ + + * VdW CZ TYR 352 - HD3 PRO 358 2.60 15 0.28 0.54 + +++++ ++ *++++++ VdW CE2 TYR 352 - O GLU 353 2.90 8 0.18 0.58 + + + * + +++ VdW CE2 TYR 352 - N GLY 357 3.05 8 0.18 0.60 + + +* + +++ VdW CE2 TYR 352 - H GLY 357 2.55 7 0.13 0.54 + +* + +++ VdW CE2 TYR 352 - CA GLY 357 3.20 8 0.17 0.59 * + ++ + +++ VdW CE2 TYR 352 - HD3 PRO 358 2.60 7 0.13 0.44 ++* + ++ + VdW CD2 TYR 352 - N GLY 357 3.05 10 0.34 0.87 ++ + +++ + ++* VdW CD2 TYR 352 - H GLY 357 2.55 9 0.17 0.92 + + *++ + +++ VdW CD2 TYR 352 - CA GLY 357 3.20 10 0.22 0.60 +* + +++ + +++ VdW CD2 TYR 352 - C GLY 357 3.10 11 0.24 0.66 * +++ ++ + ++++ VdW CD2 TYR 352 - N PRO 358 3.05 7 0.13 0.48 +++ + +* + VdW CD2 TYR 352 - CA PRO 358 3.20 7 0.16 0.54 +++ + *+ + VdW CD2 TYR 352 - HA PRO 358 2.60 7 0.16 0.54 +++ + *+ + VdW CD2 TYR 352 - HA LEU 396 2.60 8 0.12 0.31 ++++* ++ + VdW HD2 TYR 352 - N GLY 357 2.45 9 0.20 0.54 ++ + ++ * +++ VdW HD2 TYR 352 - HA PRO 358 2.00 7 0.11 0.45 +++ + +* + VdW HD2 TYR 352 - C ALA 395 2.50 9 0.20 0.52 ++++ + + ++ * VdW HD2 TYR 352 - N LEU 396 2.45 9 0.14 0.35 +++++ + ++ * VdW H GLU 353 - CG GLU 353 2.55 20 0.33 0.40 ++++*+++++++++++++++ VdW H GLU 353 - HG2 GLU 353 1.95 8 0.14 0.32 + + +* + ++ + VdW CB GLU 353 - H GLU 354 2.55 20 0.34 0.40 ++++++++++*+++++++++ VdW HB2 GLU 353 - N GLU 354 2.45 17 0.29 0.40 ++ ++++* ++++++++++ VdW HB2 GLU 353 - H GLU 354 1.95 19 0.42 0.66 +++ ++++*+++++++++++ VdW CG2 THR 356 - C THR 356 2.90 9 0.15 0.32 + ++ * + + ++ + VdW CG2 THR 356 - O THR 356 2.90 13 0.18 0.29 + +*+ + ++ +++++ + VdW O THR 356 - HB2 GLU 360 2.30 14 0.30 0.64 + +++++ * +++++++ VdW HA2 GLY 357 - CD PRO 358 2.60 8 0.18 0.25 + +++ +++ * VdW CA PRO 358 - CB ALA 395 3.20 19 0.39 0.79 *++++++++++++++++ ++ VdW CA PRO 358 - HB2 ALA 395 2.60 6 0.17 0.62 ++++ + * VdW HA PRO 358 - CB ALA 395 2.60 20 0.54 1.22 *+++++++++++++++++++ VdW CB PRO 358 - CG LEU 396 3.20 12 0.24 0.45 + +*+ ++ +++++ + VdW CB PRO 358 - HG LEU 396 2.60 12 0.25 0.49 + +++ ++ ++*++ + VdW CB PRO 358 - CD2 LEU 396 3.20 15 0.42 0.71 + ++*++ ++ +++++++ VdW CB PRO 358 - HD22 LEU 396 2.60 8 0.14 0.45 + ++ *+ +++ VdW CB PRO 358 - HD23 LEU 396 2.60 7 0.14 0.44 ++*+ + + + VdW HB2 PRO 358 - CD2 LEU 396 2.60 7 0.14 0.43 + + + + + * + VdW HB3 PRO 358 - CG LEU 396 2.60 16 0.40 0.68 ++++++ +++++++++ * VdW HB3 PRO 358 - HG LEU 396 2.00 11 0.28 0.63 ++++ + *+ ++ + + VdW HB3 PRO 358 - CD2 LEU 396 2.60 11 0.32 0.70 +++ ++ +++++ * VdW CG PRO 358 - OE1 GLN 359 2.90 11 0.16 0.35 +++*+ + + ++++ VdW HG2 PRO 358 - OE1 GLN 359 2.30 13 0.30 0.60 +++*+ + +++++++ VdW C PRO 358 - OE1 GLN 359 2.80 13 0.35 0.74 +++++ * +++++++ VdW C PRO 358 - CB ALA 395 3.10 15 0.25 0.50 * +++++ ++ +++++++ VdW O PRO 358 - CZ PHE 392 2.90 9 0.17 0.35 ++ + + +++ +* VdW O PRO 358 - CB ALA 395 2.90 15 0.56 0.95 * +++++ ++ +++++++ VdW O PRO 358 - HB1 ALA 395 2.30 7 0.17 0.67 + + *+ + + + VdW O PRO 358 - HB2 ALA 395 2.30 9 0.21 0.73 * + ++ + + +++ VdW N GLN 359 - OE1 GLN 359 2.75 13 0.56 0.97 +++++ * +++++++ VdW CA GLN 359 - OE1 GLN 359 2.90 13 0.23 0.45 +++++ + ++++++* VdW CA GLN 359 - CE1 PHE 392 3.20 7 0.12 0.49 ++++ + * + VdW CA GLN 359 - CE2 PHE 392 3.20 9 0.16 0.51 ++*+ ++ ++ + VdW HA GLN 359 - CE1 PHE 392 2.60 10 0.32 0.85 +*++++ ++ + + VdW HA GLN 359 - HE1 PHE 392 2.00 8 0.16 0.64 ++++++ * + VdW HA GLN 359 - CZ PHE 392 2.60 11 0.20 0.39 + ++ ++ *+ ++ ++ VdW HA GLN 359 - CE2 PHE 392 2.60 10 0.34 0.87 ++++ ++ +*+ + VdW HA GLN 359 - HE2 PHE 392 2.00 8 0.19 0.85 ++*+ + ++ + VdW CG GLN 359 - HB2 ALA 416 2.60 6 0.11 0.50 + + *+ ++ VdW CD GLN 359 - CZ PHE 392 3.10 9 0.16 0.35 ++++ + +* ++ VdW CD GLN 359 - HZ PHE 392 2.50 13 0.42 0.72 +++*+ + +++++++ VdW OE1 GLN 359 - CZ PHE 392 2.90 11 0.17 0.42 +++++ + + +* ++ VdW OE1 GLN 359 - HZ PHE 392 2.30 13 0.35 0.71 +++++ + ++++++* VdW NE2 GLN 359 - HB2 ALA 416 2.45 6 0.11 0.78 + + *+ ++ VdW C GLN 359 - N ALA 361 2.95 9 0.18 0.50 ++++ + +* + + VdW C GLN 359 - H ALA 361 2.45 8 0.19 0.71 +++ + +* + + VdW O GLN 359 - C GLU 360 2.80 9 0.17 0.48 ++++ + ++ * + VdW O GLN 359 - N ALA 361 2.75 9 0.34 0.93 ++++ + ++ * + VdW O GLU 360 - NE2 GLN 364 2.75 8 0.27 0.99 + ++ + ++ *+ VdW CB ALA 361 - HA PHE 392 2.60 11 0.18 0.42 ++++++* + + ++ VdW HB1 ALA 361 - HA PHE 392 2.00 6 0.11 0.40 +++ + * + VdW C ALA 361 - N ALA 363 2.95 13 0.27 0.51 + ++++* ++ + ++ ++ VdW C ALA 361 - H ALA 363 2.45 11 0.27 0.66 +++++ ++ + + *+ VdW C ALA 361 - CG LEU 365 3.10 8 0.12 0.29 * + ++++ + + VdW C ALA 361 - HG LEU 365 2.50 12 0.24 0.61 *+ + +++++ +++ + VdW O ALA 361 - C LEU 362 2.80 13 0.27 0.47 + + +++ ++ +*++++ VdW O ALA 361 - N ALA 363 2.75 15 0.52 0.86 + ++++* ++ +++++++ VdW O ALA 361 - CG LEU 365 2.90 10 0.24 0.93 + +++ +*+ + + + VdW O ALA 361 - HG LEU 365 2.30 11 0.37 1.21 ++ + +*+++ ++ + VdW CB LEU 362 - HD1 PHE 392 2.60 9 0.23 0.72 ++*++ ++ + + VdW CB LEU 362 - HD2 PHE 392 2.60 8 0.21 0.71 ++ ++ ++* + VdW HB2 LEU 362 - CB PRO 412 2.60 13 0.24 0.51 + +*++ +++++++ + VdW HB2 LEU 362 - HB3 PRO 412 2.00 7 0.17 0.55 + ++ ++ * + VdW HB3 LEU 362 - HD1 PHE 392 2.00 8 0.22 0.69 *++++ ++ + VdW HB3 LEU 362 - HD2 PHE 392 2.00 6 0.18 0.67 ++ ++ + * VdW CG LEU 362 - HB2 PRO 412 2.60 10 0.18 0.45 *++ + + + ++++ VdW HG LEU 362 - CB PRO 412 2.60 7 0.16 0.60 + * + ++++ VdW HG LEU 362 - HB2 PRO 412 2.00 10 0.19 0.54 *++ + + + ++++ VdW CD2 LEU 362 - C LEU 362 3.10 9 0.28 0.98 ++ * + + ++++ VdW CD2 LEU 362 - N ALA 363 3.05 6 0.10 0.44 ++ + + +* VdW N GLN 364 - CD GLN 364 2.95 9 0.13 0.29 ++ * ++ ++ ++ VdW H GLN 364 - CG GLN 364 2.55 20 0.34 0.41 +++++++++++++++++++* VdW H GLN 364 - CD GLN 364 2.45 14 0.28 0.54 +++++ ++ +++*+++ VdW O GLN 364 - N LEU 368 2.75 11 0.23 0.47 + +++++ + *+++ VdW O GLN 364 - H LEU 368 1.80 7 0.15 0.48 + + + + *++ VdW O GLN 364 - HB2 LEU 368 2.30 11 0.19 0.43 ++ ++ ++ *+ + ++ VdW N LEU 365 - CD2 LEU 365 3.05 6 0.10 0.31 + * ++ + + VdW H LEU 365 - CG LEU 365 2.55 7 0.10 0.24 + * ++ +++ VdW HB3 LEU 365 - HA VAL 388 2.00 8 0.16 0.41 + + +*+ + + + VdW CD1 LEU 365 - N PHE 392 3.05 9 0.18 0.49 + + + ++ ++* + VdW CD1 LEU 365 - CA PHE 392 3.20 6 0.11 0.32 + * + +++ VdW CD2 LEU 365 - HG3 GLN 391 2.60 8 0.14 0.40 + ++ *+ + ++ VdW CD2 LEU 365 - N PHE 392 3.05 7 0.10 0.29 + +*+ + + + VdW O LEU 365 - SG CYS 369 3.10 15 0.24 0.47 + ++++ +++++* +++ + VdW CG GLU 367 - C GLU 367 2.90 20 0.23 0.24 +++++++++++++++++++* VdW CA LEU 368 - CD1 LEU 368 3.00 7 0.11 0.25 ++ + + *+ + VdW HA LEU 368 - CD1 LEU 368 2.60 11 0.20 0.41 +++ + + +++ + + * VdW HA CYS 369 - HE3 TRP 372 2.00 20 0.40 0.51 +++++++++++++++++*++ VdW SG CYS 369 - N ARG 370 3.25 10 0.21 0.41 + *+ + + +++++ VdW SG CYS 369 - H ARG 370 2.75 6 0.14 0.34 + + + * + + VdW SG CYS 369 - HG LEU 384 2.80 6 0.09 0.41 *+ + + ++ VdW O CYS 369 - N TRP 372 2.75 6 0.17 0.37 * + + ++ + VdW O CYS 369 - N LEU 373 2.75 9 0.18 0.40 ++ + + + +++ * VdW CG TRP 372 - C TRP 372 2.90 20 0.24 0.25 +*++++++++++++++++++ VdW CG TRP 372 - N LEU 373 3.05 16 0.27 0.40 +++* +++++ +++++++ VdW CZ3 TRP 372 - HG LEU 387 2.60 18 0.28 0.42 ++++++ +++++ +++*+++ VdW HG LEU 373 - C LEU 373 2.50 11 0.16 0.28 + + ++* ++++ ++ VdW O LEU 373 - C ARG 374 2.80 8 0.20 0.48 +* ++ ++ + + VdW O LEU 373 - O ARG 374 2.60 15 0.28 0.46 + ++++ ++++ *+++ ++ VdW HA ARG 374 - CD PRO 375 2.60 20 0.26 0.29 +++++*++++++++++++++ VdW C ARG 374 - H GLU 376 2.45 20 0.36 0.38 ++++++++++++++*+++++ VdW HA PRO 375 - CE MET 383 2.60 18 0.39 0.56 ++++++ +++++ +++*+++ VdW H VAL 377 - CG2 VAL 377 2.55 12 0.20 0.31 ++ + ++* ++ ++++ VdW O LYS 380 - N LEU 384 2.75 7 0.17 0.25 + * + + +++ VdW O LYS 380 - HB2 LEU 384 2.30 12 0.23 0.46 ++++ + + ++ + + +* VdW O GLU 381 - HB2 GLU 385 2.30 7 0.13 0.30 ++ +++ *+ VdW CG GLN 382 - C GLN 382 2.90 6 0.09 0.23 + +*+ + + VdW CB MET 383 - CE MET 383 3.00 14 0.21 0.25 +++++ + +++++*+ + VdW O MET 383 - N LEU 386 2.75 12 0.23 0.32 + + + ++++ * + +++ VdW O MET 383 - CB LEU 386 2.90 8 0.18 0.36 + * + + + + + + VdW O MET 383 - HB3 LEU 386 2.30 11 0.27 0.63 + + ++*+ + ++ + + VdW O MET 383 - HD21 LEU 387 2.30 9 0.15 0.51 + +++ +++* + VdW O MET 383 - HD22 LEU 387 2.30 6 0.10 0.39 + + +*++ VdW HA LEU 384 - CD2 LEU 387 2.60 8 0.16 0.41 + + + * + + + + VdW O LEU 384 - HD23 LEU 387 2.30 6 0.11 0.42 + * +++ + VdW O LEU 384 - HG22 VAL 388 2.30 7 0.10 0.35 + + ++ ++ * VdW O GLU 385 - CB LEU 389 2.90 6 0.10 0.40 + ++ + + * VdW O GLU 385 - HB3 LEU 389 2.30 7 0.18 0.54 + + + + *+ + VdW HG LEU 386 - CD1 LEU 387 2.60 9 0.16 0.41 + + +*++ + + + VdW N LEU 387 - CD1 LEU 387 3.05 20 0.36 0.46 ++++++*+++++++++++++ VdW H LEU 387 - CD2 LEU 387 2.55 19 0.38 0.57 + +++++++++*++++++++ VdW H VAL 388 - CG1 VAL 388 2.55 7 0.10 0.41 + *+ + + + + VdW O VAL 388 - N PHE 392 2.75 16 0.24 0.35 ++ + ++++++++ ++++* VdW O VAL 388 - H PHE 392 1.80 15 0.24 0.37 ++ + +++++++ ++++* VdW HB2 LEU 389 - CA SER 411 2.60 11 0.20 0.44 + +++ + * +++++ VdW HB2 LEU 389 - C SER 411 2.50 12 0.29 0.63 ++ + ++++ + *+++ VdW CG LEU 389 - N GLU 390 3.05 6 0.11 0.30 + + + * + + VdW HG LEU 389 - N GLU 390 2.45 8 0.15 0.57 ++++ * + + + VdW HG LEU 389 - N SER 411 2.45 10 0.24 0.67 +++* + ++ +++ VdW CD1 LEU 389 - N GLU 390 3.05 10 0.17 0.44 ++++ * +++ ++ VdW CD2 LEU 389 - C LEU 389 3.10 12 0.29 0.65 ++++ * + +++ +++ VdW CD2 LEU 389 - CB ALA 415 3.20 7 0.13 0.37 + ++ * ++ + VdW CD GLN 391 - C GLN 391 3.00 16 0.26 0.38 + *+ +++++++++++++ VdW CD GLN 391 - O GLN 391 2.80 18 0.26 0.38 +++*+ +++++++++++++ VdW NE2 GLN 391 - O GLN 391 2.75 14 0.22 0.34 +++*++++ ++ ++ + + VdW O GLN 391 - C PHE 392 2.80 7 0.20 0.28 *+ ++ + + + VdW O GLN 391 - N GLY 394 2.75 10 0.21 0.36 +++++ ++ * + + VdW O GLN 391 - H GLY 394 1.80 8 0.19 0.35 + + ++ * ++ + VdW CD1 PHE 392 - C PHE 392 3.10 10 0.24 0.54 +++* ++ +++ + VdW HD1 PHE 392 - C PHE 392 2.50 10 0.26 0.66 ++++ ++ *++ + VdW HD1 PHE 392 - N LEU 393 2.45 9 0.16 0.56 + *+ ++ +++ + VdW CE1 PHE 392 - CB ALA 416 3.20 10 0.22 0.53 +*++++ ++ + + VdW CZ PHE 392 - CA ALA 416 3.20 17 0.24 0.39 + *++++++++ ++ +++++ VdW CZ PHE 392 - HA ALA 416 2.60 18 0.28 0.57 + *++++++++ ++++++++ VdW CZ PHE 392 - CB ALA 416 3.20 20 0.51 0.72 +*++++++++++++++++++ VdW CZ PHE 392 - HB2 ALA 416 2.60 9 0.16 0.51 * + + ++++ ++ VdW CZ PHE 392 - HB3 ALA 416 2.60 7 0.14 0.50 +* + ++ ++ VdW CE2 PHE 392 - CB ALA 416 3.20 9 0.21 0.50 +++ +* +++ + VdW CD2 PHE 392 - C PHE 392 3.10 10 0.25 0.55 +*++++ ++ + + VdW CD2 PHE 392 - O PHE 392 2.90 8 0.10 0.27 +++*+ + + + VdW HD2 PHE 392 - C PHE 392 2.50 10 0.27 0.61 +++*++ ++ + + VdW HD2 PHE 392 - N LEU 393 2.45 7 0.16 0.53 +++ * ++ + VdW O PHE 392 - N ALA 395 2.75 11 0.23 0.38 + ++ + + +*+ +++ VdW O PHE 392 - H ALA 395 1.80 9 0.20 0.37 + + + + +*+ + + VdW O LEU 393 - HG3 GLN 401 2.30 14 0.23 0.34 + ++++ ++ + + +++*+ VdW N LEU 396 - HG LEU 396 2.45 13 0.18 0.29 +* +++ ++ +++++ + VdW H LEU 396 - CG LEU 396 2.55 8 0.17 0.28 + ++ * + +++ VdW H LEU 396 - HG LEU 396 1.95 6 0.14 0.40 + + + + *+ VdW CD1 LEU 396 - CG1 VAL 419 3.20 6 0.11 0.32 ++ * ++ + VdW CD2 LEU 396 - CB VAL 419 3.20 6 0.11 0.27 + + * +++ VdW CD2 LEU 396 - CG2 VAL 419 3.20 9 0.18 0.44 + +++ +* ++ + VdW CB PRO 397 - CD PRO 398 3.20 11 0.22 0.33 ++ +* ++ ++ +++ VdW CB PRO 397 - HD2 PRO 398 2.60 19 0.31 0.42 + ++++++*+++++++++++ VdW HB2 PRO 397 - CD PRO 398 2.60 11 0.22 0.39 ++ +* ++ ++ +++ VdW HB2 PRO 397 - HD2 PRO 398 2.00 20 0.43 0.62 ++++++++*+++++++++++ VdW H GLU 399 - CG GLU 399 2.55 11 0.19 0.36 +++ + + *+++++ VdW H GLU 399 - HG2 GLU 399 1.95 6 0.12 0.25 +++ + * + VdW N ILE 400 - CG1 ILE 400 2.85 19 0.23 0.24 +++++++++++++* +++++ VdW H ILE 400 - CG1 ILE 400 2.55 20 0.31 0.39 ++++++++++*+++++++++ VdW H ILE 400 - HG13 ILE 400 1.95 7 0.16 0.26 + + +++ * + VdW HG2 PRO 409 - H GLY 410 1.95 15 0.20 0.29 +++ +++++*+ +++ + + VdW O GLU 414 - HG LEU 418 2.30 16 0.25 0.40 ++ ++ + ++++*++++++ VdW O ALA 416 - HG22 VAL 419 2.30 6 0.09 0.44 + + + + * + VdW CG2 VAL 419 - N ASP 420 3.05 13 0.18 0.33 * + ++ +++++ + +++ Angle PSI LEU 45 -52.00 -32.00 11 5.68 13.24 ++++ ++ + + + + * Angle PSI ARG 48 -34.00 -4.00 20 16.63 23.06 +++*++++++++++++++++ Angle PSI CYS 49 -51.00 -5.00 19 8.78 19.07 + *+++++++++++++++++ Angle PSI PHE 50 120.00 140.00 7 3.47 9.89 * + + ++ + + Angle PSI TYR 52 120.00 140.00 15 6.83 11.93 + +++ + +++++++++* Angle PHI GLU 54 -70.00 -50.00 20 38.04 49.96 +*++++++++++++++++++ Angle PHI ALA 55 -80.00 -58.00 20 38.74 46.35 +++++++*++++++++++++ Angle PSI ALA 55 -50.00 -30.00 16 9.20 23.16 ++ +++++ +* +++++++ Angle PHI THR 56 -112.00 -82.00 20 16.29 26.17 +++++++++*++++++++++ Angle PSI PRO 58 -41.00 -31.00 19 12.60 23.64 + *+++++++++++++++++ Angle PHI GLN 59 -77.00 -57.00 18 16.84 29.55 + +++++++ ++*+++++++ Angle PSI GLN 59 -46.00 -26.00 15 25.89 40.52 + +++++ +* +++++++ Angle PHI GLU 60 -75.00 -55.00 20 34.88 56.61 +*++++++++++++++++++ Angle PSI ALA 61 -53.00 -33.00 10 4.37 18.08 + *+ ++ +++++ Angle PHI LEU 62 -71.00 -51.00 6 5.50 28.07 + *+ + ++ Angle PSI LEU 62 -53.00 -33.00 18 11.19 21.94 *++++++ ++ +++++++++ Angle PSI ALA 63 -48.00 -28.00 13 12.04 33.36 +++++ ++ +++*++ Angle PHI GLN 64 -78.00 -58.00 10 4.67 11.32 + ++ + + + *+++ Angle PSI GLN 64 -51.00 -31.00 13 7.17 20.78 +++++ ++ *+ +++ + Angle PSI LEU 65 -52.00 -32.00 10 5.32 14.77 * +++ ++ ++++ Angle PHI ARG 66 -76.00 -56.00 16 7.51 15.03 + +++++++ +*+ + ++++ Angle PHI GLU 67 -79.00 -59.00 17 9.63 18.66 ++ + +++++*++++++++ Angle PSI GLN 71 -47.00 -17.00 9 4.49 7.42 +* ++ + + ++ + Angle PSI VAL 77 -29.00 -5.00 13 5.59 8.30 *++++ +++ + ++++ Angle PSI SER 79 155.00 175.00 20 13.87 18.78 +++++++++++++++*++++ Angle PSI LYS 80 -48.00 -28.00 18 9.11 15.50 ++++++++++* +++++++ Angle PSI GLU 81 -50.00 -30.00 20 9.49 14.39 +++++++++++++++*++++ Angle PHI GLN 82 -76.00 -56.00 19 10.51 17.70 ++++++++++ +*+++++++ Angle PHI MET 83 -75.00 -55.00 6 4.00 7.73 + + * + ++ Angle PSI MET 83 -52.00 -32.00 6 4.48 13.74 + ++ +* + Angle PHI LEU 84 -73.00 -53.00 20 10.22 15.43 +++++*++++++++++++++ Angle PSI LEU 84 -52.00 -32.00 8 4.51 12.23 + + ++++* + Angle PHI GLU 85 -75.00 -55.00 9 4.46 11.27 + +++*+++ + Angle PSI GLU 85 -54.00 -34.00 10 6.43 14.98 +++ *+ + ++++ Angle PHI LEU 87 -77.00 -57.00 11 7.58 22.38 ++ +* ++++ + ++ Angle PSI LEU 87 -51.00 -31.00 12 6.95 17.50 + ++*+++++ + ++ Angle PHI VAL 88 -78.00 -58.00 20 11.68 16.70 ++++++++*+++++++++++ Angle PSI VAL 88 -55.00 -35.00 17 9.67 16.99 ++ ++++++ ++ *++++++ Angle PHI LEU 89 -70.00 -50.00 12 5.90 11.52 ++ ++++* + ++++ Angle PSI LEU 89 -57.00 -37.00 11 7.48 15.97 +++ ++ + ++++* Angle PSI GLU 90 -52.00 -32.00 17 6.85 10.77 +++++ + +++ ++*+++++ Angle PHI GLN 91 -74.00 -54.00 14 6.77 12.10 +++++ +++ +*+++ + Angle PSI GLN 91 -46.00 -26.00 11 5.43 14.12 + + + + +*+++++ Angle PHI PHE 92 -74.00 -54.00 20 17.72 24.26 +++++++++++++++++++* Angle PHI LEU 93 -72.00 -52.00 19 9.56 15.47 +++++++ +++++++++++* Angle PHI GLY 94 -80.00 -56.00 6 3.48 8.95 ++ + + + * Angle PSI PRO 97 132.20 154.90 20 24.95 31.55 +++++++++*++++++++++ Angle PSI PRO 98 -46.00 -28.00 20 20.45 31.21 +++++++++*++++++++++ Angle PHI GLU 99 -76.00 -56.00 11 6.09 26.35 + +++ *++ ++ ++ Angle PSI GLU 99 -47.00 -27.00 13 6.64 13.84 + +*++ +++ + +++ + Angle PHI ILE 100 -73.00 -53.00 20 14.28 20.62 ++++++++++*+++++++++ Angle PHI GLY 106 -79.00 -59.00 6 3.67 8.99 ++++ *+ Angle PSI GLY 106 -40.00 -6.00 16 8.54 16.85 +++ +++ ++++++ ++ +* Angle PHI GLY 110 58.00 92.00 18 12.39 23.68 ++++++++++++++++ +* Angle PSI PRO 112 -44.00 -28.00 10 6.42 17.93 *++++ ++ ++ + Angle PHI GLU 113 -75.00 -55.00 14 6.24 10.73 ++++++ + ++ ++ ++* Angle PHI GLU 114 -74.00 -54.00 12 8.05 22.69 + + +++ +++ ++ *+ Angle PHI ALA 115 -76.00 -56.00 18 11.29 17.51 +++*++++++++++ + +++ Angle PSI ALA 115 -49.00 -29.00 9 5.24 12.15 + *+ ++++ + + Angle PSI ALA 116 -50.00 -30.00 7 5.94 20.36 + + +* + ++ Angle PHI ALA 117 -74.00 -54.00 6 3.24 12.13 +++ * + + Angle PSI ALA 117 -50.00 -30.00 8 3.68 9.59 + + ++ ++* + Angle PHI ASP 120 -69.00 -49.00 10 4.61 12.34 + +*++++ + + + Angle PSI LEU 345 -52.00 -32.00 16 6.98 11.54 +++++++* ++++ + +++ Angle PSI ARG 348 -34.00 -4.00 20 18.65 24.35 ++*+++++++++++++++++ Angle PSI CYS 349 -51.00 -5.00 13 6.94 13.42 +* ++++++ + ++ ++ Angle PHI HIS 351 -128.00 -90.00 13 5.97 11.20 + ++* + ++ +++ +++ Angle PSI TYR 352 120.00 140.00 6 3.24 18.01 + *+ + ++ Angle PHI GLU 354 -70.00 -50.00 20 30.04 47.65 +++*++++++++++++++++ Angle PHI ALA 355 -80.00 -58.00 20 32.83 48.09 ++*+++++++++++++++++ Angle PSI ALA 355 -50.00 -30.00 18 10.47 29.54 + *++++ ++++++++++++ Angle PHI THR 356 -112.00 -82.00 20 14.83 21.07 ++++*+++++++++++++++ Angle PSI PRO 358 -41.00 -31.00 18 13.95 24.71 +++ ++++++++ ++*++++ Angle PHI GLN 359 -77.00 -57.00 16 10.05 21.81 +++ +++ ++++ *+++++ Angle PSI GLN 359 -46.00 -26.00 16 29.07 43.84 + +++ ++++ +*++ ++++ Angle PHI GLU 360 -75.00 -55.00 14 18.91 53.00 ++++ + +++ *+ ++ ++ Angle PSI GLU 360 -54.00 -34.00 12 16.43 36.13 + *++++ ++ ++ ++ Angle PHI ALA 361 -72.00 -52.00 12 11.56 28.87 + +++++ +* ++ ++ Angle PSI ALA 361 -53.00 -33.00 15 13.31 29.62 + +++++ ++ ++++*++ Angle PHI LEU 362 -71.00 -51.00 16 23.79 59.52 + ++++++ ++ ++++*++ Angle PSI LEU 362 -53.00 -33.00 13 8.91 24.24 ++ * +++++ ++ +++ Angle PSI ALA 363 -48.00 -28.00 18 25.06 41.16 +++++++++ ++ +++*+++ Angle PHI GLN 364 -78.00 -58.00 11 7.01 16.62 + +++ + +++*++ Angle PSI GLN 364 -51.00 -31.00 12 5.85 11.87 ++++ ++++ + ++* Angle PSI LEU 365 -52.00 -32.00 9 4.66 13.69 + + ++ ++ ++* Angle PHI ARG 366 -76.00 -56.00 10 4.83 12.89 ++ +* + ++ + + + Angle PHI GLU 367 -79.00 -59.00 19 9.40 16.26 +++++++++*+++ ++++++ Angle PSI GLN 371 -47.00 -17.00 11 4.44 11.11 *+ ++ + ++++ ++ Angle PSI VAL 377 -29.00 -5.00 11 5.34 8.18 ++ +*+ + ++ + ++ Angle PSI SER 379 155.00 175.00 19 11.14 15.64 ++++++ +*+++++++++++ Angle PSI LYS 380 -48.00 -28.00 17 8.89 14.99 +++++ ++++++++ ++*+ Angle PSI GLU 381 -50.00 -30.00 20 9.94 14.49 +++++++++++++++++++* Angle PHI GLN 382 -76.00 -56.00 19 11.08 17.32 +++++ +++++++++*++++ Angle PSI GLN 382 -48.00 -28.00 7 4.48 7.58 + + + * + ++ Angle PHI MET 383 -75.00 -55.00 11 5.92 10.96 + * + + +++++++ Angle PSI MET 383 -52.00 -32.00 9 5.43 14.99 + + *++ ++ + + Angle PHI LEU 384 -73.00 -53.00 20 9.32 15.24 +*++++++++++++++++++ Angle PSI LEU 384 -52.00 -32.00 6 3.68 14.69 ++ * + + + Angle PSI GLU 385 -54.00 -34.00 17 9.52 16.51 ++++++++*+++++ +++ Angle PHI LEU 387 -77.00 -57.00 11 6.28 15.97 *+ + +++ + ++++ Angle PSI LEU 387 -51.00 -31.00 8 4.69 13.23 + ++ + ++* + Angle PHI VAL 388 -78.00 -58.00 18 12.76 20.49 + ++++++++++++*++++ Angle PSI VAL 388 -55.00 -35.00 16 9.81 21.63 ++++ + +*++++ +++++ Angle PHI LEU 389 -70.00 -50.00 6 3.58 11.74 + + + + *+ Angle PSI LEU 389 -57.00 -37.00 11 6.26 14.08 +++* + +++ +++ Angle PHI GLN 391 -74.00 -54.00 13 7.18 15.90 * + ++++++++ + ++ Angle PHI PHE 392 -74.00 -54.00 20 15.68 22.33 *+++++++++++++++++++ Angle PHI LEU 393 -72.00 -52.00 19 8.36 12.58 ++++++++++++++* ++++ Angle PSI PRO 397 132.20 154.90 20 26.93 32.40 ++++++++*+++++++++++ Angle PSI PRO 398 -46.00 -28.00 20 22.58 33.58 ++++++++++++++++++*+ Angle PHI GLU 399 -76.00 -56.00 13 8.76 32.97 + +++ ++ +++++*+ Angle PSI GLU 399 -47.00 -27.00 20 9.47 14.06 ++++++++++*+++++++++ Angle PHI ILE 400 -73.00 -53.00 19 9.77 15.34 *++++++++++++++++++ Angle PSI GLN 405 -52.00 -30.00 7 4.10 13.58 + + + + +*+ Angle PSI GLY 406 -40.00 -6.00 17 7.58 14.66 +++++++*++ ++ +++++ Angle PHI GLY 410 58.00 92.00 16 8.32 20.40 + ++++++++ +++++ *+ Angle PSI PRO 412 -44.00 -28.00 11 6.13 12.53 ++ ++ ++ ++ + +* Angle PHI GLU 414 -74.00 -54.00 14 8.18 20.75 + + +++++ +* ++++ + Angle PHI ALA 415 -76.00 -56.00 20 10.58 16.77 +*++++++++++++++++++ Angle PSI ALA 415 -49.00 -29.00 16 7.59 13.01 + ++++++++ +*+++++ Angle PHI ALA 417 -74.00 -54.00 10 3.54 7.86 +++ + + * ++ ++ Angle PHI ASP 420 -69.00 -49.00 11 4.60 11.87 ++ +*++++ + ++ Angle PSI ASP 420 -52.00 -32.00 12 4.67 8.71 + *++ ++ ++++++ 372 violated distance constraints. 123 violated angle constraints. RMSDs for residues 40..122: Average backbone RMSD to mean : 0.45 +/- 0.09 A (0.34..0.65 A; 20 structures) Average heavy atom RMSD to mean : 0.90 +/- 0.11 A (0.78..1.23 A; 20 structures)