NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7387 8.4249 117.7892 51.9688 40.2929 174.6144 4 K 4.5400 7.6235 118.3367 55.1947 34.2370 174.5228 5 K 5.2605 9.4036 121.6069 53.5751 37.8430 173.9797 *7 N 4.9881 8.4835 117.8597 53.9739 40.2891 172.9004 8 L 5.2200 9.0203 126.6413 52.9538 44.7329 175.3004 9 L 4.9351 9.0826 127.0830 53.7928 43.3777 175.3432 10 L 4.6923 8.8627 131.2007 54.2225 41.9184 176.3596 11 F 4.6072 8.9181 130.2106 59.6573 40.7616 176.2708 12 S 4.8415 8.3726 113.9211 58.5575 63.3137 174.3622 13 G 4.3002 8.6038 113.0870 45.5408 0.0000 173.3631 14 D 5.0486 7.8633 119.0121 52.2700 43.8433 175.9267 15 Y 4.0549 9.0041 125.5732 61.1007 38.8969 178.7208 16 D 4.4725 8.2589 119.4368 56.3885 39.7204 178.5160 17 K 4.0181 8.0784 119.2760 59.1412 32.1996 178.9928 18 A 4.0061 8.3787 121.5275 54.8776 18.1648 179.3645 19 L 3.7456 8.1022 118.8938 58.2173 42.1759 178.8915 20 A 4.0116 8.0233 120.8601 55.3852 18.2865 179.7365 21 S 4.1031 8.1471 112.5730 61.6233 62.9562 176.5174 22 L 4.1425 8.0965 122.1278 56.6499 41.5723 179.2243 23 I 3.6847 7.9979 120.4695 64.4719 36.9974 178.3892 24 I 3.6740 7.7648 120.1854 64.3248 36.9871 178.3816 25 A 3.9551 8.1136 121.5744 55.2635 18.2576 179.4808 26 N 4.2652 8.3951 114.8607 56.4155 38.4121 177.5643 27 A 3.9813 7.7553 120.6630 55.0366 18.6741 179.1830 28 A 4.0811 8.3139 119.5907 55.4035 18.2326 180.0489 29 R 4.0309 7.8467 115.4650 59.1590 30.3541 180.4372 30 E 4.2169 7.8294 118.8036 55.7701 29.4058 177.3039 *32 E 4.2195 8.0467 114.8965 56.1284 31.2118 175.8101 33 I 4.3547 7.7744 119.9906 60.3426 38.2771 175.6922 34 E 4.1282 8.9249 128.3871 56.1751 30.9010 175.4894 35 V 4.4980 8.3540 125.7486 61.3639 34.8956 173.7874 36 T 4.9570 8.5734 123.8891 61.8139 71.4873 172.9686 37 I 4.8973 8.7720 127.5859 59.5746 40.0253 174.4905 38 F 5.2770 9.5486 131.5377 57.2278 40.5051 174.1487 39 C 5.0282 8.8844 125.2577 58.6439 29.1086 173.3990 40 A 4.4381 8.6062 124.3620 49.9264 23.0818 178.6015 41 F 3.0164 8.5095 119.6927 57.8201 39.4311 179.5961 42 W 4.4706 8.0141 131.4558 60.5233 28.6172 177.2549 43 G 3.7844 8.1440 105.7979 47.6703 0.0000 175.5593 44 L 4.0149 7.9259 121.0682 57.6634 41.4117 179.3792 45 L 3.9057 8.0866 119.0346 57.4645 41.2327 179.1108 46 L 3.9600 7.6666 119.4743 57.5855 42.2734 177.5047 47 L 4.4421 7.7018 116.8103 54.7163 42.1453 176.5664 48 R 3.8428 7.1776 119.7825 55.8238 30.5077 175.5945 49 D 3.9952 8.1972 123.5581 51.7338 41.0368 175.1790 50 P 4.3392 0.0000 0.0000 64.7959 31.5266 176.8716 51 E 4.3099 8.0821 117.3123 56.9071 29.6053 176.8690 52 K 4.3943 7.6960 116.9439 55.9121 34.4398 176.2368 53 A 3.9779 7.6945 120.6580 52.2328 19.0002 176.3963 54 S 4.6802 8.3443 112.7058 57.1797 65.6337 174.0082 55 Q 4.5573 8.6595 124.0629 56.0914 29.6815 175.7542 56 E 4.1442 8.2416 118.3627 57.1286 30.5531 181.8828 57 D 4.5242 8.7657 122.5211 53.6271 36.6979 170.5362 58 K 4.8308 7.5899 118.3328 54.1673 36.4212 177.5248 59 S 4.5374 9.0309 119.7277 58.0815 65.2951 176.1972 60 L 4.0196 8.2761 124.3056 60.1323 40.6656 177.2060 61 Y 4.6207 8.0191 117.4947 60.8214 37.7209 178.5038 62 E 3.9202 8.0611 119.6501 59.4560 29.5759 179.2817 63 Q 4.1959 8.8514 119.5308 58.3615 28.8397 178.9502 64 A 3.9964 8.5026 122.0281 55.0909 18.5816 179.3097 65 F 3.9660 8.7531 119.5494 61.5374 39.2322 177.1788 66 S 4.3014 8.2428 111.4876 61.7975 62.3012 176.0967 67 S 4.2805 8.1081 116.5439 61.2208 62.6456 176.0349 68 L 4.2799 7.8395 120.5624 55.4652 41.9000 177.3546 69 T 4.1808 6.8070 108.1503 59.4304 69.9370 172.6761 70 P 4.3179 0.0000 0.0000 63.6857 31.5121 176.9271 71 R 4.2476 9.1079 121.6928 56.7904 30.8529 175.6824 72 E 4.5642 7.5800 114.3895 54.9731 32.2833 175.8492 73 A 3.9862 8.6978 122.1205 55.4780 18.3261 179.6421 74 E 4.2919 8.1768 114.5154 58.7180 29.8351 177.0322 75 E 4.3814 8.0759 116.2953 56.6118 30.0497 176.5107 76 L 4.3028 7.8619 120.2264 54.3938 42.3453 175.6230 77 P 4.6702 0.0000 0.0000 62.3269 32.8988 175.6560 78 L 4.6459 8.7379 121.2851 54.7079 42.1962 178.8130 79 S 4.3066 9.6847 117.1068 60.6394 63.1649 175.3648 80 K 4.4515 7.1264 116.3200 55.5665 33.3459 174.4003 *82 N 4.4129 8.2609 126.0569 53.9156 41.0996 174.8233 83 L 3.6097 7.8240 113.1724 57.2395 38.0527 175.9409 84 G 3.8004 8.4466 115.6284 46.2372 0.0000 172.0154 85 G 3.9106 8.7097 111.2847 45.9568 0.0000 176.2215 86 I 3.9644 7.6832 121.4394 64.5265 35.7424 183.0472 87 G 3.8879 7.9252 105.6924 47.0060 0.0000 175.4424 88 K 4.0879 8.0662 124.1421 59.8787 32.2066 179.6487 89 K 3.7457 7.6146 122.0838 57.6388 31.9216 179.7322 *91 L 4.4143 7.8013 122.8151 56.0669 43.7026 178.0184 92 L 4.0902 8.1894 117.5906 57.8596 41.9974 178.3845 93 E 4.1622 8.0567 120.8865 55.8727 27.2349 176.3204 *96 K 4.2421 7.9811 123.6049 55.9891 34.4022 177.5767 97 E 3.9688 8.1208 117.2037 58.8795 28.0361 177.3291 98 E 4.2970 8.2220 117.1889 55.2356 30.2025 175.5422 99 K 3.8708 7.8090 115.7645 57.8317 30.4436 175.0192 100 A 4.2320 7.2774 119.3383 50.8918 19.1221 176.8379 101 P 4.4050 0.0000 0.0000 62.4508 32.2551 177.1179 102 K 4.3906 8.3525 119.8137 55.5821 34.1509 178.0703 103 L 3.7701 8.4181 122.6085 58.5682 41.8409 179.3616 104 S 4.0800 8.4434 113.9563 61.7511 62.7259 176.2945 105 D 4.3359 8.0179 121.8579 57.0678 40.5782 178.5359 106 L 3.9974 8.0801 119.6130 57.5067 41.4861 179.3705 107 L 3.9011 8.1840 120.7725 58.2127 41.9801 179.1763 108 S 4.0490 8.1615 115.3062 61.4075 62.6561 176.9671 109 G 3.5347 8.2599 108.2476 47.6491 0.0000 175.5730 110 A 4.0251 8.2507 123.6210 54.9817 18.5725 179.9268 111 R 3.9752 8.1998 116.6607 59.3684 29.9153 179.2168 112 K 3.9641 7.9859 118.2660 59.2526 32.2992 178.1447 113 K 4.2020 8.0823 115.6743 55.7445 32.5608 176.3306 114 E 3.7196 7.9684 117.3463 57.0437 27.1348 175.0594 115 V 3.5468 7.6725 118.0377 63.1997 32.6605 175.4277 116 K 4.2202 8.6557 127.3804 55.2563 33.8501 175.4163 117 F 5.1427 8.4299 123.7915 55.8677 41.4954 174.2758 118 Y 5.4513 9.1510 120.8758 55.4241 41.5224 174.9606 119 A 5.1002 8.9169 123.1010 52.4986 21.8853 178.8283 *121 Q 4.1183 8.8140 115.1143 58.0226 30.9471 177.0121 122 L 3.8727 7.8250 118.5219 58.1982 41.9384 178.7995 123 S 3.5244 7.5693 113.2134 61.3569 62.6686 176.1797 124 V 3.7297 7.6116 120.2406 66.2867 30.9259 177.7930 125 E 3.9515 7.8180 116.4397 59.3374 29.3577 179.5051 126 I 3.7157 7.4663 114.7797 62.4403 36.7981 176.9401 *128 G 3.7031 7.7304 107.0083 44.7887 0.0000 173.5224 129 F 4.7730 7.2739 118.1407 57.1973 39.6569 175.0903 130 K 4.6347 8.9899 123.3736 54.2602 34.3840 177.4077 131 K 3.7964 8.8299 123.0564 59.7432 32.0182 178.7390 132 E 4.0598 8.0800 114.6089 58.7566 29.7218 177.3471 133 E 4.0873 8.3375 118.5745 57.0863 29.9284 176.0440 134 L 4.7435 7.2459 118.4208 52.0116 44.4551 176.1661 135 F 4.2484 7.6664 119.1213 57.1659 39.3289 175.3448 136 P 4.3085 0.0000 0.0000 65.7425 31.0910 177.1385 137 E 4.1991 8.1077 114.2882 57.0062 30.1084 176.8235 138 V 4.0238 7.6428 121.2198 63.4025 32.1987 175.0383 139 Q 4.8810 8.7217 125.8984 54.3170 31.4822 175.4756 140 I 5.0052 8.5988 123.5589 59.9437 39.0242 174.5286 *142 D 4.5823 8.3578 122.7741 52.8899 40.5034 176.8595 143 V 3.7905 8.2501 118.4622 64.8532 31.1450 178.4839 144 K 4.0181 8.1410 118.8945 59.2465 31.9359 178.9643 145 E 3.8960 8.5830 119.1351 59.1411 29.3083 178.5370 146 Y 3.5272 7.5658 119.6117 60.4918 38.6319 178.2776 147 L 3.5058 7.7836 119.6271 57.5229 41.5092 179.4142 148 K 3.7443 7.5895 116.9938 59.6560 32.2109 178.5171 149 N 4.3084 7.8603 116.6371 56.6104 38.9381 176.7633 150 A 3.8264 7.8124 122.5612 55.0800 18.1481 179.6260 151 L 3.9714 7.9003 116.7765 57.1728 41.7437 178.5129 152 E 4.3337 7.4963 116.1133 55.7961 30.0235 176.4564 153 S 4.6091 7.0028 115.4366 57.7731 64.1827 173.7971 154 D 4.6349 8.7823 121.7401 55.0878 41.4203 177.1414 155 L 4.7189 7.6836 119.7612 53.1733 44.8110 175.0133 156 Q 4.9255 8.7266 123.8443 54.3275 32.0114 174.4921 157 L 5.0369 9.1108 123.0611 52.8357 46.5068 175.1506 158 F 5.2277 8.9891 123.1407 56.5753 41.6719 175.0726 159 I 4.3050 8.5671 126.4492 61.4603 37.5911 175.5150 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 3 N 8.42 4.74 0.00 2.76 2.80 0.00 0.00 6.71 6.56 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 4 K 7.62 4.54 0.00 1.75 1.74 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 5 K 9.40 5.26 0.00 1.59 1.68 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.19 7.81 *7 N 8.48 4.99 0.00 2.92 2.77 0.00 0.00 6.75 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.02 5.22 0.00 1.65 1.60 0.94 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.08 4.94 0.00 1.84 1.54 0.61 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.86 4.69 0.00 1.85 1.61 1.04 0.92 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 11 F 8.92 4.61 0.00 2.64 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.37 4.84 0.00 4.02 4.06 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 13 G 8.60 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 0.00 0.00 0.00 0.00 14 D 7.86 5.05 0.00 2.74 2.86 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 0.00 0.00 0.00 15 Y 9.00 4.05 0.00 3.07 2.94 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 0.00 0.00 0.00 16 D 8.26 4.47 0.00 2.98 3.03 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 17 K 8.08 4.02 0.00 1.87 1.95 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.56 7.81 18 A 8.38 4.01 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 19 L 8.10 3.75 0.00 1.75 1.83 0.83 1.46 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 20 A 8.02 4.01 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 21 S 8.15 4.10 0.00 4.11 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 0.00 22 L 8.10 4.14 0.00 1.71 1.76 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.00 3.68 2.01 0.00 0.00 0.87 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 1.07 0.92 0.00 0.00 24 I 7.76 3.67 2.02 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 1.47 0.87 0.92 0.00 0.00 25 A 8.11 3.96 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 26 N 8.40 4.27 0.00 2.87 2.87 0.00 0.00 6.95 7.73 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 27 A 7.76 3.98 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.31 4.08 1.38 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 29 R 7.85 4.03 0.00 1.96 1.99 0.00 3.53 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.78 0.00 30 E 7.83 4.22 0.00 2.14 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 0.00 2.34 2.52 0.00 *32 E 8.05 4.22 0.00 1.98 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 2.21 2.34 0.00 33 I 7.77 4.35 1.97 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 1.11 0.49 0.94 0.00 0.00 34 E 8.92 4.13 0.00 2.06 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 35 V 8.35 4.50 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 0.96 0.00 0.00 1.01 0.00 0.00 36 T 8.57 4.96 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 1.63 0.00 0.00 37 I 8.77 4.90 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.57 1.06 0.00 0.00 38 F 9.55 5.28 0.00 3.32 3.09 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 39 C 8.88 5.03 0.00 2.88 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 40 A 8.61 4.44 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 41 F 8.51 3.02 0.00 2.30 1.45 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 0.00 0.00 0.00 0.00 42 W 8.01 4.47 0.00 3.54 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 43 G 8.14 3.78 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 0.00 0.00 0.00 44 L 7.93 4.01 0.00 1.89 1.74 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.09 3.91 0.00 1.85 1.74 1.15 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.67 3.96 0.00 1.67 1.86 0.89 0.96 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 47 L 7.70 4.44 0.00 1.71 1.59 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 48 R 7.18 3.84 0.00 1.49 1.64 0.00 2.71 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.04 0.00 49 D 8.20 4.00 0.00 1.87 2.22 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 50 P 0.00 4.34 0.00 2.19 2.12 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.14 0.00 51 E 8.08 4.31 0.00 2.11 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 0.00 2.33 2.43 0.00 52 K 7.70 4.39 0.00 1.73 1.85 0.00 1.85 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.28 7.81 53 A 7.69 3.98 1.23 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 0.00 0.00 54 S 8.34 4.68 0.00 3.82 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 55 Q 8.66 4.56 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 56 E 8.24 4.14 0.00 2.01 1.74 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 2.26 2.12 0.00 57 D 8.77 4.52 0.00 2.86 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 58 K 7.59 4.83 0.00 1.69 1.68 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.39 7.81 59 S 9.03 4.54 0.00 3.99 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 60 L 8.28 4.02 0.00 1.67 1.72 0.92 0.75 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 61 Y 8.02 4.62 0.00 2.91 2.97 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 62 E 8.06 3.92 0.00 2.21 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 2.16 2.28 0.00 63 Q 8.85 4.20 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 64 A 8.50 4.00 1.41 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 0.00 0.00 0.00 65 F 8.75 3.97 0.00 3.16 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 66 S 8.24 4.30 0.00 4.08 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 67 S 8.11 4.28 0.00 3.89 3.91 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 68 L 7.84 4.28 0.00 1.62 1.65 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 T 6.81 4.18 4.08 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 0.00 0.00 0.44 0.00 0.00 70 P 0.00 4.32 0.00 2.06 2.09 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 71 R 9.11 4.25 0.00 1.73 1.92 0.00 3.47 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 72 E 7.58 4.56 0.00 2.11 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 2.23 2.29 0.00 73 A 8.70 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.18 4.29 0.00 1.99 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 0.00 2.36 2.49 0.00 75 E 8.08 4.38 0.00 2.17 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 2.28 0.00 76 L 7.86 4.30 0.00 1.80 1.78 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.67 0.00 2.08 2.14 0.00 3.90 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 2.04 1.94 0.00 78 L 8.74 4.65 0.00 1.63 1.84 1.01 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 79 S 9.68 4.31 0.00 3.97 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 80 K 7.13 4.45 0.00 1.90 1.81 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.38 7.81 *82 N 8.26 4.41 0.00 2.97 2.86 0.00 0.00 6.96 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.82 3.61 0.00 1.96 2.13 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.45 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 0.00 0.00 0.00 85 G 8.71 3.91 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 0.00 0.00 0.00 86 I 7.68 3.96 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 1.45 0.75 0.91 0.00 0.00 87 G 7.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.09 0.00 1.82 1.78 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.59 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.24 1.06 7.81 89 K 7.61 3.75 0.00 1.80 1.79 0.00 1.89 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 *91 L 7.80 4.41 0.00 1.58 1.85 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.19 4.09 0.00 1.78 1.67 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.06 4.16 0.00 2.23 1.84 0.00 0.00 0.00 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 2.28 0.00 *96 K 7.98 4.24 0.00 2.05 1.97 0.00 1.88 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.48 7.81 97 E 8.12 3.97 0.00 2.02 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 2.35 2.44 0.00 98 E 8.22 4.30 0.00 2.04 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 2.33 2.38 0.00 99 K 7.81 3.87 0.00 1.91 1.84 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.37 7.81 100 A 7.28 4.23 1.26 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 0.00 0.00 0.00 101 P 0.00 4.40 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 102 K 8.35 4.39 0.00 1.87 2.04 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.53 7.81 103 L 8.42 3.77 0.00 0.78 1.45 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.44 4.08 0.00 4.10 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 0.00 105 D 8.02 4.34 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.08 4.00 0.00 1.82 1.69 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.18 3.90 0.00 1.73 1.70 0.55 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.16 4.05 0.00 3.98 3.83 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 0.00 0.00 0.00 109 G 8.26 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 0.00 0.00 0.00 110 A 8.25 4.03 1.56 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 0.00 0.00 111 R 8.20 3.98 0.00 1.89 1.99 0.00 2.21 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 112 K 7.99 3.96 0.00 1.81 1.98 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 113 K 8.08 4.20 0.00 1.80 1.81 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.63 7.81 114 E 7.97 3.72 0.00 2.15 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 0.00 2.23 2.22 0.00 115 V 7.67 3.55 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.82 0.00 0.00 116 K 8.66 4.22 0.00 1.57 1.27 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.33 7.81 117 F 8.43 5.14 0.00 2.85 2.86 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 0.00 0.00 0.00 118 Y 9.15 5.45 0.00 3.19 2.97 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 0.00 119 A 8.92 5.10 1.05 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 0.00 0.00 *121 Q 8.81 4.12 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 122 L 7.83 3.87 0.00 1.77 1.55 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 123 S 7.57 3.52 0.00 3.51 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.61 3.73 2.19 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 1.13 0.00 0.00 0.91 0.00 0.00 125 E 7.82 3.95 0.00 2.07 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 2.30 2.40 0.00 126 I 7.47 3.72 1.56 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 1.34 0.44 0.69 0.00 0.00 *128 G 7.73 3.70 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 0.00 0.00 0.00 129 F 7.27 4.77 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.99 4.63 0.00 1.92 1.71 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.22 7.81 131 K 8.83 3.80 0.00 1.84 1.84 0.00 1.63 0.00 0.00 1.89 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 132 E 8.08 4.06 0.00 2.10 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 0.00 2.27 2.32 0.00 133 E 8.34 4.09 0.00 2.11 1.90 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 2.31 2.29 0.00 134 L 7.25 4.74 0.00 1.52 1.49 0.86 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.67 4.25 0.00 3.01 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 0.00 136 P 0.00 4.31 0.00 2.20 2.21 0.00 3.95 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 2.04 2.00 0.00 137 E 8.11 4.20 0.00 2.13 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 0.00 2.32 2.30 0.00 138 V 7.64 4.02 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 0.80 0.00 0.00 1.00 0.00 0.00 139 Q 8.72 4.88 0.00 2.50 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 140 I 8.60 5.01 1.92 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 1.05 1.39 0.94 0.00 0.00 *142 D 8.36 4.58 0.00 2.99 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 0.00 143 V 8.25 3.79 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 0.94 0.00 0.00 1.06 0.00 0.00 144 K 8.14 4.02 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.55 7.81 145 E 8.58 3.90 0.00 2.12 1.85 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 2.27 2.46 0.00 146 Y 7.57 3.53 0.00 1.43 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 L 7.78 3.51 0.00 1.81 1.60 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.59 3.74 0.00 1.85 1.78 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.40 7.81 149 N 7.86 4.31 0.00 2.61 2.71 0.00 0.00 7.18 7.98 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 0.00 150 A 7.81 3.83 0.79 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 0.00 0.00 151 L 7.90 3.97 0.00 1.72 1.68 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.50 4.33 0.00 2.22 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 2.30 2.21 0.00 153 S 7.00 4.61 0.00 4.05 3.90 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 0.00 154 D 8.78 4.63 0.00 2.70 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 0.00 155 L 7.68 4.72 0.00 1.52 1.49 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.73 4.93 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 157 L 9.11 5.04 0.00 1.64 1.59 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.99 5.23 0.00 3.08 2.86 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 0.00 0.00 0.00 159 I 8.57 4.31 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.