NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3534 0.0000 0.0000 62.4531 33.0055 176.5646 6 T 4.0240 8.1207 116.5791 60.9581 69.4070 173.9899 7 I 3.6577 8.3631 126.0277 64.7106 37.7826 177.5014 8 N 4.0632 8.3114 117.2151 57.1460 38.6420 176.6383 9 Q 3.9870 7.8956 118.6436 58.9208 28.9410 178.3876 10 L 3.9978 7.9635 120.0500 57.6352 41.3972 179.5362 11 V 3.6017 8.3046 117.9171 65.8185 31.5973 177.5071 12 R 3.9066 8.1009 116.5375 57.2639 29.4379 177.9112 13 K 3.7938 5.9523 123.0307 59.8721 33.0726 178.5191 14 G 4.3798 7.9335 103.2190 45.0513 0.0000 172.2677 15 R 4.4445 8.1028 116.8392 54.7450 31.4699 175.7311 16 E 4.5340 8.3320 121.7197 54.0795 31.1556 175.7282 17 K 4.1321 8.3922 127.0387 56.2783 32.5668 176.6979 18 V 3.5224 7.9270 119.2221 61.8587 32.0576 172.1656 19 R 3.8156 7.8964 128.2697 55.5198 31.0300 175.7434 20 K 4.6704 8.4036 123.2015 54.7854 35.2837 175.5087 21 K 4.3199 8.2231 119.3740 55.4033 33.2409 178.2327 22 S 4.3498 8.5491 117.8332 57.7243 60.0300 174.5304 23 K 4.0538 7.8257 126.8177 58.3906 32.5759 176.5048 24 V 3.9658 7.9036 118.4431 61.8421 33.3648 172.5177 25 P 4.6379 0.0000 0.0000 61.9344 30.0310 177.3588 26 A 4.1622 7.8953 115.7612 52.8228 18.5156 174.5973 27 L 3.5706 8.5155 125.5583 56.6399 42.1030 174.7510 28 K 3.7921 9.6849 118.0904 56.4898 30.1012 175.7369 29 G 3.8154 8.1287 103.8719 45.4608 0.0000 173.9089 30 A 3.8873 7.8923 122.4269 52.3724 18.7769 176.2217 31 P 4.0121 0.0000 0.0000 64.4899 31.5777 176.3119 32 F 5.3337 7.5631 112.9969 55.7760 43.2748 174.1283 33 R 4.6679 8.6868 120.5330 54.6076 33.4243 173.7425 34 R 5.0823 8.6345 125.8864 55.0225 32.5588 175.1198 35 G 4.2768 8.5603 112.0750 45.4977 0.0000 170.4486 36 V 4.9405 9.0521 120.6295 60.6357 34.4668 175.7120 37 C 4.5068 8.3777 123.9591 59.5507 29.1786 173.6324 38 T 4.1127 9.2659 119.2284 64.0120 68.6131 174.5472 39 V 4.3889 7.5307 120.8938 61.2817 34.7322 174.7368 40 V 4.7213 8.5072 129.3271 61.1695 30.2655 174.2643 41 R 4.7261 8.2239 122.3786 54.1567 33.8235 173.5219 42 T 5.0119 8.3742 116.6583 60.5606 69.5160 173.5193 43 V 4.7231 8.5648 120.5071 59.7791 36.0324 174.1187 44 T 5.0680 8.2543 111.3918 59.4311 70.5587 173.0432 45 P 4.5295 0.0000 0.0000 62.4166 32.8455 176.4003 46 K 4.2976 8.8565 122.5907 58.2227 32.9434 177.4182 47 K 4.0983 7.1149 110.3633 55.4689 34.4529 174.2798 48 P 4.8864 0.0000 0.0000 62.4679 32.4598 175.0270 49 N 5.0229 7.6277 115.2776 52.4060 41.4122 174.5341 50 S 4.4052 8.0510 113.6266 57.8494 64.9752 172.6602 51 A 4.4281 8.0144 131.9333 52.5436 22.5202 176.0420 52 L 5.5402 8.2101 106.8405 53.1168 42.2803 176.4058 53 R 4.1299 8.0672 119.9474 56.5002 32.1462 177.1050 54 K 4.4820 8.7242 123.1847 56.0994 32.1700 176.4812 55 V 4.6481 8.0717 125.3891 61.5863 35.0661 174.3788 56 A 4.7202 8.2479 120.3752 50.9621 22.3456 176.3287 57 K 4.6208 8.7497 123.0551 57.1333 33.6898 176.8341 58 V 4.7716 9.0209 123.1628 61.2223 35.3306 174.0740 59 R 4.7852 9.1248 128.9710 55.0494 31.0289 176.0571 60 L 4.7828 8.4444 127.1423 53.6991 43.3298 178.1748 61 T 3.8902 8.0889 109.9986 64.8148 68.8262 175.4700 62 S 4.4025 8.0609 117.3686 58.3394 62.4555 176.0492 63 G 4.0930 8.1561 108.1461 46.2531 0.0000 175.9806 64 Y 4.1857 7.9334 117.4753 60.0582 38.1113 174.1394 65 E 5.9800 8.2042 123.8876 57.2581 32.4743 177.6893 66 V 4.8040 7.6242 119.6446 59.8210 36.8745 174.2927 67 T 4.7316 8.6263 112.7237 61.4447 70.0514 173.6378 68 A 5.1748 8.9474 126.3596 50.3046 23.3027 173.5656 69 Y 4.8393 8.3229 118.0186 56.1577 42.0097 174.9413 70 I 4.5033 6.8461 126.6556 58.5688 37.6227 173.7818 71 P 4.4828 0.0000 0.0000 62.5704 32.1269 176.9578 72 G 4.1604 8.6087 107.6044 45.3684 0.0000 171.9389 73 E 4.3483 8.8768 118.4657 56.0558 30.1658 177.3859 74 G 4.1121 10.3854 108.7133 46.1913 0.0000 171.9491 75 H 4.4219 7.2445 114.4605 55.5835 31.3548 174.3169 76 N 4.6641 8.1039 105.3909 52.9705 37.9922 174.5076 77 L 4.7304 7.6983 117.0340 53.8319 44.7962 176.3550 78 Q 4.5919 8.4067 120.3510 53.8810 33.1557 174.8828 79 E 4.2150 8.5293 118.6705 59.1677 29.6042 176.7008 80 H 4.7493 7.9278 115.3366 53.4177 29.2931 171.1562 81 S 4.6790 7.8570 117.5650 56.2188 67.2531 173.3892 82 V 3.9399 8.6154 124.6845 63.2126 32.7340 174.9067 83 V 4.9428 8.7952 125.5360 61.7817 36.0385 172.3693 84 L 5.2915 8.5711 124.7883 53.3515 44.5540 175.0864 85 I 4.8853 9.4691 127.7998 60.4459 38.7906 176.1689 86 R 4.6567 9.9644 125.5224 55.4913 32.4275 174.8555 87 G 4.0971 8.3480 109.9278 45.5083 0.0000 171.0824 88 G 3.1646 8.0299 108.7452 43.5770 0.0000 173.9882 89 R 4.2090 8.1319 123.4031 55.2227 29.8724 176.5262 90 V 4.1233 7.7869 116.0627 60.4923 32.0626 176.9465 91 K 4.3433 8.2266 135.0000 54.8516 31.4938 176.1980 92 D 4.6150 10.6100 116.1417 54.2788 47.3800 173.6629 93 L 4.6838 7.5123 119.2011 51.6229 41.9015 173.2216 94 P 4.3093 0.0000 0.0000 63.8088 32.0453 175.2850 95 G 4.1411 9.0506 112.0186 46.1473 0.0000 173.9598 96 V 3.9650 7.6536 121.8916 62.9072 30.8226 175.8318 97 R 4.5885 8.5150 125.4020 56.0230 31.4722 175.0327 98 Y 5.3066 7.9073 116.0146 56.4717 42.6250 173.6908 99 H 5.1877 8.9266 116.2499 54.1982 32.7174 173.9166 100 I 4.5681 8.8173 122.9380 61.0458 38.4887 175.4016 101 V 4.2994 8.0105 123.3744 60.9456 33.0291 175.7888 102 R 3.9838 8.8506 126.9573 56.3442 30.7306 176.0032 103 G 3.9596 8.4267 105.0146 46.2558 0.0000 174.2146 104 V 4.0340 7.4800 118.5659 61.9090 35.4102 173.6720 105 Y 3.6569 7.8065 125.3518 59.9237 35.9629 171.1066 106 D 4.4670 9.2907 128.6860 55.8583 40.9881 175.7278 107 A 4.3557 8.1287 124.3062 50.6093 18.8486 176.3750 108 A 4.6669 8.4082 125.8116 51.3798 19.8770 177.3857 109 G 4.3381 8.4373 109.1062 45.5497 0.0000 173.3273 110 V 3.9147 7.8434 120.0966 62.7769 31.8298 175.8511 111 K 4.1640 8.7746 128.2808 56.3947 33.8356 175.7757 112 D 4.3456 8.6691 122.2880 54.9356 38.7297 173.5184 113 R 4.1868 7.4967 118.3166 55.8599 30.5795 176.1476 114 K 4.5923 8.4122 123.2242 57.1490 35.6753 177.4568 115 K 4.6796 7.3915 121.5982 55.1805 30.7434 180.3406 116 S 4.1653 8.8554 127.7196 60.1449 62.5837 173.3523 117 R 4.5125 8.5336 124.1201 57.3024 32.3549 178.0287 118 S 4.1524 8.4442 111.5450 61.2324 62.2492 174.6904 119 K 4.2481 7.9298 117.8069 57.5489 32.3081 176.5583 120 Y 3.4278 8.3542 119.1827 59.0063 35.3331 170.3376 121 G 3.9861 7.0902 104.3789 47.0869 0.0000 173.1808 122 T 4.8670 7.9780 123.0061 61.5696 72.0239 174.6904 123 K 4.1128 8.4622 124.8221 55.6220 32.8184 176.8315 124 K 3.9508 8.4981 123.6899 55.9037 32.2510 174.7022 125 P 4.4445 0.0000 0.0000 62.0950 32.2889 176.1490 126 K 4.2232 8.3870 122.7788 56.3558 32.8895 176.0508 127 E 4.3500 8.6611 122.1627 56.4640 29.8634 176.5839 128 A 3.4449 7.3189 120.9519 52.7747 15.8246 178.4093 *129 A 4.1172 7.7686 124.6925 51.6975 18.9464 177.1095 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 5 P 0.00 4.35 0.00 2.06 2.05 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 6 T 8.12 4.02 4.24 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 0.00 0.00 0.00 1.24 0.00 0.00 7 I 8.36 3.66 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.99 0.91 0.00 0.00 8 N 8.31 4.06 0.00 2.75 2.84 0.00 0.00 7.11 6.73 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 9 Q 7.90 3.99 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 10 L 7.96 4.00 0.00 1.91 1.72 0.92 0.68 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 11 V 8.30 3.60 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 0.83 0.00 0.00 0.95 0.00 0.00 12 R 8.10 3.91 0.00 1.98 1.74 0.00 3.25 0.00 0.00 3.22 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 13 K 5.95 3.79 0.00 1.91 1.90 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.46 7.81 14 G 7.93 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.44 0.00 1.81 1.86 0.00 3.36 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 16 E 8.33 4.53 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 17 K 8.39 4.13 0.00 1.75 1.69 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.93 3.52 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 19 R 7.90 3.82 0.00 1.94 1.94 0.00 3.19 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 20 K 8.40 4.67 0.00 1.86 1.74 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.41 7.81 21 K 8.22 4.32 0.00 1.74 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.55 4.35 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.83 4.05 0.00 1.72 1.80 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.44 7.81 24 V 7.90 3.97 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 0.80 0.00 0.00 0.53 0.00 0.00 25 P 0.00 4.64 0.00 2.39 2.29 0.00 3.81 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.09 0.00 26 A 7.90 4.16 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.52 3.57 0.00 1.62 1.51 0.03 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.68 3.79 0.00 1.81 1.84 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.37 7.81 29 G 8.13 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.89 3.89 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 31 P 0.00 4.01 0.00 1.79 1.70 0.00 3.56 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 32 F 7.56 5.33 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 4.67 0.00 1.98 1.64 0.00 3.13 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.00 34 R 8.63 5.08 0.00 1.99 1.70 0.00 2.51 0.00 0.00 2.81 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 35 G 8.56 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 9.05 4.94 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 0.96 0.00 0.00 0.86 0.00 0.00 37 C 8.38 4.51 0.00 2.96 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 38 T 9.27 4.11 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 39 V 7.53 4.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.93 0.00 0.00 40 V 8.51 4.72 2.04 0.00 0.00 0.00 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 0.91 0.00 0.00 41 R 8.22 4.73 0.00 1.87 1.74 0.00 3.29 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 42 T 8.37 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 1.23 0.00 0.00 43 V 8.56 4.72 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 0.84 0.00 0.00 0.98 0.00 0.00 44 T 8.25 5.07 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 1.23 0.00 0.00 45 P 0.00 4.53 0.00 2.24 2.15 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 46 K 8.86 4.30 0.00 2.05 1.66 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.37 7.81 47 K 7.11 4.10 0.00 1.78 1.59 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.48 7.81 48 P 0.00 4.89 0.00 2.17 2.08 0.00 3.50 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.06 0.00 49 N 7.63 5.02 0.00 2.73 2.75 0.00 0.00 6.55 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.05 4.41 0.00 3.78 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 51 A 8.01 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.21 5.54 0.00 1.51 1.59 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.07 4.13 0.00 1.97 2.34 0.00 3.26 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.03 0.00 54 K 8.72 4.48 0.00 1.61 1.71 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.52 7.81 55 V 8.07 4.65 2.13 0.00 0.00 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 1.13 0.00 0.00 56 A 8.25 4.72 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.75 4.62 0.00 1.75 1.75 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.40 7.81 58 V 9.02 4.77 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 0.87 0.00 0.00 0.95 0.00 0.00 59 R 9.12 4.79 0.00 1.91 1.84 0.00 3.23 0.00 0.00 3.44 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 60 L 8.44 4.78 0.00 1.53 1.46 0.80 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.09 3.89 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 62 S 8.06 4.40 0.00 3.48 3.67 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 63 G 8.16 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 0.00 0.00 0.00 64 Y 7.93 4.19 0.00 2.97 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 5.98 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 66 V 7.62 4.80 2.25 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 0.91 0.00 0.00 0.74 0.00 0.00 67 T 8.63 4.73 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 1.26 0.00 0.00 68 A 8.95 5.17 1.31 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 0.00 0.00 0.00 69 Y 8.32 4.84 0.00 2.96 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.85 4.50 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.84 0.00 0.00 71 P 0.00 4.48 0.00 1.84 2.18 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 72 G 8.61 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.88 4.35 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 74 G 10.39 4.11 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 0.00 75 H 7.24 4.42 0.00 3.15 3.12 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 N 8.10 4.66 0.00 2.81 2.86 0.00 0.00 5.68 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.70 4.73 0.00 1.40 1.49 0.83 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.41 4.59 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 79 E 8.53 4.22 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 80 H 7.93 4.75 0.00 3.08 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.86 4.68 0.00 3.69 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.62 3.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.91 0.00 0.00 83 V 8.80 4.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 84 L 8.57 5.29 0.00 1.81 1.40 0.50 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.47 4.89 1.96 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 1.21 0.80 0.99 0.00 0.00 86 R 9.96 4.66 0.00 1.83 2.10 0.00 3.40 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 87 G 8.35 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.13 4.21 0.00 1.85 1.91 0.00 2.59 0.00 0.00 3.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 90 V 7.79 4.12 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 0.75 0.00 0.00 0.60 0.00 0.00 91 K 8.23 4.34 0.00 1.70 1.76 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.48 7.81 92 D 10.61 4.61 0.00 2.70 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.51 4.68 0.00 1.67 1.58 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.31 0.00 2.04 1.98 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 95 G 9.05 4.14 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 0.00 0.00 0.00 96 V 7.65 3.97 2.21 0.00 0.00 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 97 R 8.51 4.59 0.00 1.14 1.46 0.00 3.00 0.00 0.00 3.29 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 98 Y 7.91 5.31 0.00 2.97 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 8.93 5.19 0.00 3.17 3.25 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.82 4.57 1.99 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 0.90 0.00 0.00 101 V 8.01 4.30 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 0.55 0.00 0.00 0.79 0.00 0.00 102 R 8.85 3.98 0.00 1.78 1.86 0.00 3.58 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 103 G 8.43 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.48 4.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.69 0.00 0.00 105 Y 7.81 3.66 0.00 3.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 9.29 4.47 0.00 2.97 2.72 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 0.00 107 A 8.13 4.36 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 0.00 108 A 8.41 4.67 1.31 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 0.00 0.00 0.00 109 G 8.44 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 0.00 0.00 0.00 110 V 7.84 3.91 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.19 0.00 0.00 111 K 8.77 4.16 0.00 1.89 1.65 0.00 1.92 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.47 7.81 112 D 8.67 4.35 0.00 2.80 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 0.00 113 R 7.50 4.19 0.00 1.73 1.81 0.00 3.15 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 114 K 8.41 4.59 0.00 1.72 1.78 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.56 7.81 115 K 7.39 4.68 0.00 1.65 0.84 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.36 7.81 116 S 8.86 4.17 0.00 3.73 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.51 0.00 1.85 2.10 0.00 3.16 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 118 S 8.44 4.15 0.00 3.85 3.98 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 0.00 0.00 0.00 0.00 119 K 7.93 4.25 0.00 2.23 1.93 0.00 1.98 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.56 7.81 120 Y 8.35 3.43 0.00 3.21 3.23 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 0.00 0.00 0.00 0.00 121 G 7.09 3.99 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 0.00 0.00 0.00 122 T 7.98 4.87 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 1.27 0.00 0.00 123 K 8.46 4.11 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.50 3.95 0.00 1.69 1.74 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.49 7.81 125 P 0.00 4.44 0.00 2.21 2.03 0.00 3.81 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 126 K 8.39 4.22 0.00 1.85 1.70 0.00 1.59 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.64 7.81 127 E 8.66 4.35 0.00 1.99 1.94 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 0.00 2.29 2.24 0.00 128 A 7.32 3.44 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.12 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.