NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 C 4.6099 8.5545 118.2229 58.3380 40.4340 176.4765 5 R 3.0285 6.9928 118.5398 57.0282 31.4240 175.0327 6 N 4.5389 8.1652 123.1929 53.8053 39.4587 175.3348 7 R 4.2427 8.4124 123.2886 55.1539 30.8850 173.6664 8 V 3.5894 7.5493 113.8331 63.8991 30.4197 172.4773 9 T 3.3642 7.1129 110.6906 65.4620 65.3027 172.7311 10 N 5.1037 8.0803 127.1558 51.0279 39.0168 174.0719 11 N 4.4854 8.2172 116.5145 54.4278 39.3745 176.4823 12 V 3.7884 8.4653 118.2091 64.0192 31.3171 177.7787 13 K 4.0249 8.0751 118.8388 61.2993 32.1309 178.5552 14 D 4.2840 7.9267 120.4612 54.9650 39.7117 178.5065 15 V 3.1686 7.5886 119.3466 66.0989 31.6569 177.8107 16 T 3.8058 8.5061 116.4033 66.4525 68.0246 176.4899 17 K 3.8164 7.2568 119.8737 59.2837 32.5890 178.1044 18 L 3.8616 7.7982 120.8761 58.3849 41.3975 179.2197 19 V 3.5160 7.8306 117.9689 65.8688 31.1418 177.7536 20 A 4.1518 7.7087 119.5167 53.9683 18.2035 177.7359 21 N 4.8178 7.6818 112.6430 52.8260 39.1506 174.1817 22 L 4.7845 7.3247 118.2213 51.7097 44.0176 174.7655 23 P 4.3833 0.0000 0.0000 62.9313 31.6412 177.4585 24 K 4.0355 8.8459 121.0026 59.3968 32.1450 177.3665 25 D 4.7126 8.0853 115.7244 53.1470 39.5279 175.0827 26 Y 4.5335 7.7565 121.3774 57.0462 38.8305 174.6654 27 M 4.4554 8.1706 127.7546 54.8702 33.1267 175.7860 28 I 4.2017 8.8856 124.9675 59.8888 39.6665 174.9084 29 T 5.0093 8.3427 123.0703 62.7637 69.9692 174.1706 30 L 4.7481 8.9640 127.0712 53.6112 46.0303 175.2640 31 K 4.9785 8.9234 126.3708 55.5423 31.0742 175.1895 32 Y 4.0224 8.4956 125.1764 57.1816 39.6545 175.6290 33 V 3.8158 7.4975 127.0607 60.5371 31.5314 173.3594 34 P 4.1918 0.0000 0.0000 64.1404 31.7770 176.6538 35 G 3.9484 8.2417 106.4375 45.6045 0.0000 175.2032 36 M 2.5500 6.7911 119.0187 57.3805 31.9889 176.3178 37 D 4.7258 7.6841 115.5810 53.1720 40.0787 176.6986 38 V 4.4444 7.1814 110.2113 62.8449 37.1686 175.6002 39 L 4.3538 8.4342 118.9234 53.3316 42.3990 175.0675 40 P 4.5838 0.0000 0.0000 62.3754 32.3305 177.5086 41 S 2.7900 8.5499 114.7032 61.1264 62.8856 176.0838 42 H 4.0571 7.8318 115.2526 57.2386 28.2769 177.0554 43 C 4.4905 7.3517 117.0211 57.5532 41.7625 174.1951 44 W 4.8629 6.6826 113.1112 55.2117 30.4917 176.6408 45 I 3.3078 7.0795 119.9219 64.0442 36.8228 177.4671 46 S 4.0277 7.6972 113.1406 61.5777 62.3533 175.7523 47 E 4.0080 8.1107 121.3920 59.3169 29.4248 178.4119 48 M 4.0623 8.3820 119.1110 58.4093 32.0624 178.8425 49 V 3.6516 8.0069 118.4033 66.0005 31.7507 178.2829 50 V 3.6470 7.6643 118.1839 66.0675 31.3603 178.1024 51 Q 4.1102 8.3304 117.8976 58.7592 28.5128 178.4704 52 L 4.1063 8.4259 120.6441 57.6943 41.6196 179.4085 53 S 4.1441 8.1298 113.1886 61.5795 62.3840 175.8389 54 D 4.3798 8.0699 120.2096 57.3084 40.4153 178.4236 55 S 4.1854 8.3926 115.8213 61.6101 62.8348 176.6124 56 L 4.0366 8.3279 121.9007 58.1567 41.3546 179.7729 57 T 3.8799 8.1374 115.6846 66.8105 68.1699 176.5848 58 D 4.5209 8.0423 119.8066 57.0966 41.0805 178.2532 59 L 4.2370 8.1831 121.3365 57.8395 41.9286 178.6377 60 L 3.9635 8.1640 120.8206 58.0557 41.7945 178.1504 61 D 4.6207 7.7039 114.9095 56.0826 41.3061 177.2792 62 K 4.2037 7.9146 117.1211 56.6517 32.6475 176.3571 63 F 4.8964 7.5762 117.5439 55.6466 42.2415 174.7404 64 S 4.6956 8.4268 118.6048 56.8229 64.5878 173.9162 65 N 4.1058 8.0188 121.0123 52.9264 39.4027 174.4365 66 I 5.0506 7.8253 124.9676 61.4392 38.9889 175.4166 67 S 4.2608 8.3211 112.7161 60.8598 62.8327 173.8409 68 E 4.6073 8.9433 121.9765 54.9752 29.4978 176.1753 69 G 5.0719 8.5756 115.4797 47.1029 0.0000 173.0138 70 L 3.5497 7.8687 115.2178 55.3717 39.1663 174.9196 71 S 4.5146 7.9826 115.1870 57.4494 65.9742 175.0095 72 N 4.0370 8.4899 119.3483 56.4636 38.0845 176.6279 73 Y 3.8553 8.0417 120.5998 60.8374 38.7426 178.4046 74 S 4.1888 8.0151 114.4679 61.6390 63.0935 176.4741 75 I 3.6199 7.6767 123.6709 63.8603 36.7545 178.4786 76 I 3.5788 7.7314 120.8356 64.3999 36.9332 177.7863 77 D 4.1287 7.9941 119.0696 57.4036 40.7426 178.3758 78 K 3.9629 8.0850 119.9242 59.4382 32.2625 178.7090 79 L 4.1673 7.9936 119.2699 57.2153 41.6021 179.4450 80 V 3.6596 8.4477 119.0312 66.1382 31.5424 177.8705 81 N 4.3778 8.1714 116.1982 56.2303 38.3932 177.4478 82 I 3.6939 7.5633 121.4104 64.4629 37.2215 178.9310 83 V 3.6337 7.8153 119.6787 64.8525 31.2067 178.0841 84 D 4.3499 8.2837 119.5600 57.3586 40.5919 178.5490 85 D 4.3580 8.0982 119.1864 57.1689 40.7104 178.8199 86 L 3.7583 7.6208 119.2990 57.3559 41.4997 179.6189 87 V 3.5926 7.8704 118.4656 66.0271 31.4840 177.5881 88 E 3.8987 8.1742 118.3013 59.8269 28.9026 178.1913 89 C 4.0473 8.3690 118.1519 60.0690 43.4319 175.6181 90 V 3.7762 7.8410 118.5745 66.5157 31.1323 178.0660 91 K 4.1565 7.9111 116.4063 59.0175 31.8951 178.7803 92 E 4.2387 7.9496 118.1850 58.0368 30.8244 177.9370 93 N 4.8698 9.1497 117.5847 51.1799 37.0226 175.4109 94 S 4.6366 7.3376 114.6851 56.0848 65.3609 174.3365 95 S 5.1013 8.9294 123.2577 59.2141 63.9853 178.6257 96 K 3.9452 8.1369 121.8049 56.3243 30.6306 174.4176 97 D 5.0334 7.7875 118.5356 52.1746 43.0021 177.4053 98 L 4.2622 8.1465 128.7545 53.7159 39.6681 177.7919 99 K 3.6947 7.7448 118.0971 57.2591 32.5529 177.6798 100 K 3.6342 9.2295 128.2673 56.2137 32.3538 174.5155 101 S 4.5280 8.9603 110.6182 60.0881 63.9653 168.8080 102 F 3.5087 9.5185 130.1005 57.6798 37.5301 174.7804 103 K 4.6252 10.4907 113.1874 55.7386 30.0040 174.5826 104 S 4.7143 7.3652 111.5950 56.9458 64.1024 174.9375 105 P 4.7199 0.0000 0.0000 63.3118 32.7201 174.4915 106 E 4.5521 8.5678 119.5174 54.9142 30.3799 174.3421 107 P 4.9480 0.0000 0.0000 62.7041 32.4320 175.4959 108 R 4.7414 9.1930 119.9036 54.3033 33.5870 173.6555 109 L 5.0853 8.0373 118.5841 53.4016 43.4370 176.3989 110 F 4.9949 9.2016 120.8571 55.7715 43.6275 174.7737 111 T 4.4468 8.9442 116.2315 61.0509 68.2288 173.7359 112 P 4.5438 0.0000 0.0000 65.7374 31.1562 178.3599 113 E 4.0791 8.4117 117.5084 59.6184 29.5635 178.6906 114 E 4.0608 8.2971 117.8519 59.2886 29.6633 178.7889 115 F 3.5950 8.8974 120.9608 61.4265 39.5334 177.0577 116 F 4.4416 8.8282 116.3607 59.3205 38.7118 177.6196 117 R 4.0573 7.7687 119.5568 59.3542 29.9648 178.3202 118 I 3.6161 7.5974 119.7218 64.0219 37.0272 178.2009 119 F 3.8356 7.9798 121.6134 61.3645 39.2399 177.0418 120 N 4.5210 8.6322 116.1750 56.4044 38.3350 177.7425 121 R 4.0497 8.0855 119.6137 59.2093 29.8986 179.2773 122 S 4.3995 7.7719 114.1436 61.8677 63.1962 176.5656 123 I 3.9896 7.5335 122.3678 64.3030 36.7093 177.9958 124 D 4.4520 8.7585 118.9937 56.9237 40.7501 177.9832 125 A 3.9648 7.7695 120.9327 55.0040 18.2743 179.4564 126 F 4.0873 8.2213 115.5162 61.3837 39.1965 177.2632 127 K 4.1270 7.8621 115.0128 59.3111 32.4113 177.2704 128 D 4.7869 7.8046 122.3578 52.2043 39.6702 174.5814 129 F 4.8635 7.8845 121.1365 57.0558 41.9685 173.7469 130 V 3.8581 7.9391 118.5228 62.3643 35.5288 176.5378 131 V 3.9437 7.2517 113.3577 59.7165 31.6088 176.6641 132 A 4.5054 7.9106 130.5349 52.3658 18.6982 180.8917 133 S 4.1248 5.9005 113.2333 58.8897 64.5594 173.0780 *137 D 4.4561 8.4067 121.3428 53.8836 40.3305 175.7447 138 C 4.7939 8.4386 112.9008 55.5591 42.2894 174.6645 139 V 3.6498 7.8770 124.5648 63.2375 31.8479 171.0714 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 C 8.55 4.61 0.00 2.91 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 6.99 3.03 0.00 1.96 1.91 0.00 3.26 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.25 0.00 6 N 8.17 4.54 0.00 2.67 2.76 0.00 0.00 6.68 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.41 4.24 0.00 1.75 1.86 0.00 3.42 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.14 0.00 8 V 7.55 3.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 9 T 7.11 3.36 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 10 N 8.08 5.10 0.00 2.72 2.66 0.00 0.00 6.94 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.22 4.49 0.00 2.77 2.82 0.00 0.00 6.62 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 V 8.47 3.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.05 0.00 0.00 13 K 8.08 4.02 0.00 2.02 2.07 0.00 1.36 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 14 D 7.93 4.28 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.59 3.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.82 0.00 0.00 16 T 8.51 3.81 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 17 K 7.26 3.82 0.00 1.81 1.90 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 18 L 7.80 3.86 0.00 1.54 1.14 0.46 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.83 3.52 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.81 0.00 0.00 20 A 7.71 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.68 4.82 0.00 2.73 2.80 0.00 0.00 6.86 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.32 4.78 0.00 1.72 1.73 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.38 0.00 2.44 2.21 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 24 K 8.85 4.04 0.00 1.81 1.97 0.00 1.76 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.49 1.47 7.81 25 D 8.09 4.71 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 7.76 4.53 0.00 2.95 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 M 8.17 4.46 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 28 I 8.89 4.20 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.54 0.31 0.00 0.00 29 T 8.34 5.01 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 30 L 8.96 4.75 0.00 2.06 1.71 0.94 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.92 4.98 0.00 1.94 1.85 0.00 2.00 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.59 1.51 7.81 32 Y 8.50 4.02 0.00 3.05 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.50 3.82 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.19 0.00 2.21 2.11 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 35 G 8.24 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 6.79 2.55 0.00 1.21 1.17 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.16 0.00 37 D 7.68 4.73 0.00 2.78 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.18 4.44 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 39 L 8.43 4.35 0.00 1.89 1.74 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.58 0.00 2.25 2.22 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 41 S 8.55 2.79 0.00 2.72 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 7.83 4.06 0.00 3.32 3.72 0.00 5.44 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.35 4.49 0.00 3.13 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 W 6.68 4.86 0.00 3.30 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.08 3.31 0.64 0.00 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.77 0.24 0.00 0.00 46 S 7.70 4.03 0.00 4.01 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.11 4.01 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 48 M 8.38 4.06 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.73 0.00 49 V 8.01 3.65 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.08 0.00 0.00 50 V 7.66 3.65 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 51 Q 8.33 4.11 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.67 2.80 0.00 52 L 8.43 4.11 0.00 1.70 1.86 0.77 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.13 4.14 0.00 3.96 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.07 4.38 0.00 2.89 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.39 4.19 0.00 4.38 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.33 4.04 0.00 1.84 1.78 1.22 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.14 3.88 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 58 D 8.04 4.52 0.00 2.88 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.18 4.24 0.00 1.91 1.88 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.16 3.96 0.00 1.84 1.87 0.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.70 4.62 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.91 4.20 0.00 1.88 1.56 0.00 1.87 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.72 7.81 63 F 7.58 4.90 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.43 4.70 0.00 3.85 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.02 4.11 0.00 2.02 2.42 0.00 0.00 6.93 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.83 5.05 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.45 0.88 0.00 0.00 67 S 8.32 4.26 0.00 4.04 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.94 4.61 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 69 G 8.58 5.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.87 3.55 0.00 1.75 1.66 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.98 4.51 0.00 4.11 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.49 4.04 0.00 2.35 1.92 0.00 0.00 6.40 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.04 3.86 0.00 3.29 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.02 4.19 0.00 4.09 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.68 3.62 1.82 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.74 0.00 0.00 76 I 7.73 3.58 1.73 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.82 0.00 0.00 77 D 7.99 4.13 0.00 2.52 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.09 3.96 0.00 1.93 1.98 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 79 L 7.99 4.17 0.00 1.87 1.72 0.71 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.45 3.66 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.93 0.00 0.00 81 N 8.17 4.38 0.00 2.81 2.86 0.00 0.00 7.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.56 3.69 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.21 0.96 0.00 0.00 83 V 7.82 3.63 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 84 D 8.28 4.35 0.00 2.87 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.10 4.36 0.00 2.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.62 3.76 0.00 1.71 1.35 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.87 3.59 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.00 0.00 0.00 88 E 8.17 3.90 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 89 C 8.37 4.05 0.00 2.97 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.84 3.78 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.13 0.00 0.00 91 K 7.91 4.16 0.00 1.97 1.87 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.65 7.81 92 E 7.95 4.24 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 93 N 9.15 4.87 0.00 2.75 2.83 0.00 0.00 7.03 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.34 4.64 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.93 5.10 0.00 4.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.14 3.95 0.00 1.96 2.01 0.00 1.83 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.32 7.81 97 D 7.79 5.03 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.15 4.26 0.00 1.67 1.64 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.74 3.69 0.00 1.86 1.93 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 100 K 9.23 3.63 0.00 1.95 1.89 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.38 7.81 101 S 8.96 4.53 0.00 4.13 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 F 9.52 3.51 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 10.49 4.63 0.00 2.03 1.85 0.00 1.70 0.00 0.00 2.43 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.84 7.81 104 S 7.37 4.71 0.00 3.75 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.72 0.00 2.48 2.23 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.01 0.00 106 E 8.57 4.55 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 107 P 0.00 4.95 0.00 2.17 2.11 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 108 R 9.19 4.74 0.00 1.51 1.94 0.00 2.74 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 109 L 8.04 5.09 0.00 1.37 1.50 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 F 9.20 4.99 0.00 3.11 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.94 4.45 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 112 P 0.00 4.54 0.00 2.37 2.36 0.00 3.80 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 113 E 8.41 4.08 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 114 E 8.30 4.06 0.00 2.45 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 115 F 8.90 3.60 0.00 3.14 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 8.83 4.44 0.00 3.40 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 R 7.77 4.06 0.00 2.14 2.07 0.00 3.13 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 118 I 7.60 3.62 1.54 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.45 0.60 0.00 0.00 119 F 7.98 3.84 0.00 2.88 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.63 4.52 0.00 2.95 2.96 0.00 0.00 7.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.09 4.05 0.00 1.84 1.99 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 122 S 7.77 4.40 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 7.53 3.99 1.68 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.35 0.87 0.00 0.00 124 D 8.76 4.45 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.77 3.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.22 4.09 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 7.86 4.13 0.00 2.04 1.90 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.53 1.52 7.81 128 D 7.80 4.79 0.00 2.66 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 F 7.88 4.86 0.00 2.93 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.94 3.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.83 0.00 0.00 131 V 7.25 3.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.91 0.00 0.00 132 A 7.91 4.51 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 5.90 4.12 0.00 3.77 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *137 D 8.41 4.46 0.00 2.69 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 8.44 4.79 0.00 2.91 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.88 3.65 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.