NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8869 8.2033 118.3857 59.3543 30.0227 174.9917 2 D 4.1999 8.3753 122.7148 57.1327 40.5655 177.3253 3 A 3.7146 8.7578 121.2934 54.0492 19.4345 177.4929 4 F 4.7326 8.0522 113.5473 58.0928 40.4216 176.8976 5 V 3.9020 7.5175 120.8492 61.7948 31.7352 176.0704 6 G 3.9606 7.7146 114.0880 44.7249 0.0000 170.6115 7 T 4.9085 7.5348 116.2142 61.5495 70.7086 174.0256 8 W 5.3363 9.3766 126.9868 54.6434 32.3080 174.7196 9 K 5.0955 9.3626 124.2017 54.8045 35.0037 175.3110 10 L 3.6389 7.9202 123.7181 55.3942 41.7588 176.7663 11 V 4.3993 8.7933 120.3006 62.1066 33.8508 176.1340 12 S 4.6345 7.4018 112.8315 57.1860 66.1882 173.4606 13 S 4.9554 8.3648 115.3007 56.8166 65.4873 172.8398 14 E 4.4952 8.8650 125.7168 55.2234 33.5148 175.5631 15 N 4.5256 9.1180 121.1737 54.8021 37.7758 175.4827 16 F 4.4503 8.3461 121.4302 60.4171 39.3202 176.2066 17 D 4.1088 8.1383 117.0311 57.5816 41.1065 177.8580 18 D 4.3162 8.0485 118.8222 57.2738 40.8479 177.9262 19 Y 4.0274 7.9667 120.0155 61.0596 38.8385 178.0215 20 M 3.7156 7.9278 119.5523 58.2191 31.7527 178.7883 21 K 3.8201 7.9151 117.7912 59.5744 32.3412 178.5460 22 E 3.9891 7.7842 118.0567 59.3329 29.5858 178.8073 23 V 3.8483 7.1975 117.3878 64.2518 31.5255 176.7780 24 G 4.0967 7.6164 106.0124 44.9988 0.0000 173.6093 25 V 3.6325 7.5327 119.3965 62.1046 32.1733 176.7819 26 G 3.8418 8.6003 113.4910 44.4863 0.0000 173.8067 27 F 3.9273 9.0132 124.6585 61.3306 38.9653 177.6392 28 A 4.0926 8.2246 119.4060 55.6058 18.2432 179.5341 29 T 3.8644 7.9061 113.7200 66.8369 68.5056 176.7206 30 R 3.6986 8.2317 120.3469 59.1246 29.8030 179.0508 31 K 3.7511 7.2524 117.1897 59.5657 32.2677 179.2220 32 V 3.6990 7.3842 117.6054 65.9842 31.0144 177.9626 33 A 3.4227 7.9857 121.0615 54.7128 17.8038 179.8596 34 G 3.7083 8.1724 104.0094 48.1205 0.0000 175.5266 35 M 4.1974 7.5877 119.7132 56.6328 32.4014 177.0528 36 A 4.2536 7.0103 120.9047 52.2214 19.3604 177.5998 37 K 4.5484 8.0955 119.1507 53.6068 32.9366 174.2334 38 P 4.8627 0.0000 0.0000 62.7413 33.2229 177.0213 39 N 5.2909 8.8761 120.1087 52.5015 40.1602 173.3396 40 M 4.9153 9.3076 118.3244 54.0418 35.6481 173.6044 41 I 5.0038 9.1770 127.7929 59.7680 39.9888 174.5702 42 I 5.1587 8.9938 129.0243 59.5642 39.7344 175.1967 43 S 5.0658 9.1442 120.5322 56.9311 67.1441 172.8282 44 V 4.7941 8.1819 118.9268 61.1921 34.7696 174.4511 45 N 4.7269 8.9818 125.4012 52.4652 41.6461 174.5473 46 G 3.6935 8.2272 117.7566 47.2282 0.0000 172.9259 47 D 4.6190 8.8237 124.1175 52.6028 39.6503 175.0664 48 L 4.5020 7.8557 123.6322 53.8469 43.7874 175.0907 49 V 4.4492 8.0771 126.9065 61.4153 33.6819 174.3857 50 T 4.9064 8.6896 124.1327 61.7258 71.8682 172.9046 51 I 4.8352 8.9033 127.2322 59.8219 39.8700 174.6939 52 R 5.1082 9.2632 127.0933 54.5625 32.8469 175.5996 53 S 5.2805 9.0131 116.9170 55.4478 65.9375 172.2988 54 E 5.3935 9.0447 125.8104 53.7965 31.9202 175.0900 55 S 4.8284 8.4100 117.6547 57.7855 66.4315 176.3427 56 T 4.0473 8.7326 110.0635 64.5267 68.7216 175.7709 57 F 4.5459 8.0487 124.0807 60.0961 39.4951 174.7823 58 K 4.3408 7.5931 116.8890 55.0655 35.3515 173.6794 59 N 5.3607 8.5949 122.5210 52.2821 40.2767 174.1937 60 T 4.9566 9.1877 113.6701 60.0730 72.7504 172.5112 61 E 5.2396 8.5575 122.0678 54.9654 32.8415 173.9498 62 I 4.7909 8.9047 119.9944 59.2428 40.8046 174.4715 63 S 5.0985 8.4666 120.2272 56.7974 65.9825 173.1191 64 F 4.5140 8.2857 118.0017 55.8548 41.5728 172.8282 65 K 4.9543 8.4109 118.5670 54.2021 34.6179 176.2008 66 L 4.3285 8.6605 123.7131 56.7577 41.9554 177.7722 67 G 3.9103 9.6161 110.9878 45.6743 0.0000 173.1490 68 V 4.3479 7.5223 118.8647 60.2145 33.2027 174.9304 69 E 4.5287 8.8955 128.8849 56.7727 30.1967 175.6638 70 F 5.1643 8.9237 120.3187 55.2555 42.1052 173.1278 71 D 5.0484 8.8206 119.7357 54.1179 41.8184 175.6405 72 E 4.7464 8.9892 122.9091 54.5782 33.5840 173.9155 73 I 4.9274 8.3521 127.2798 59.7240 38.6572 175.9190 74 T 4.1311 8.7528 118.1538 60.6102 69.6063 175.4900 75 A 3.9444 8.5866 124.8552 54.9094 18.4083 178.1010 76 D 4.8196 8.0833 113.1043 53.1016 39.6201 175.8729 77 D 4.4505 8.2345 117.2505 55.5692 40.1409 173.7776 78 R 4.0947 7.6883 116.2598 55.1973 31.4650 175.6363 79 K 4.7524 8.5167 124.5895 55.3261 33.1751 175.5370 80 V 4.7992 8.8557 120.6396 59.4990 36.3315 174.5702 81 K 4.9179 8.9970 121.3153 54.8969 34.3175 175.9581 82 S 5.1056 8.4126 120.7387 56.6521 66.5310 173.2492 83 I 4.9176 8.2761 122.6233 59.7215 41.3327 174.2731 84 I 5.1043 8.5432 126.7652 59.6592 40.4928 174.5822 85 T 4.9637 8.9902 116.0690 59.7892 72.7774 172.5276 86 L 4.9846 8.4765 124.5808 53.7097 43.3961 175.5309 87 D 4.4813 9.1548 127.1893 53.4733 43.3838 175.0750 88 G 4.0542 9.8399 115.7765 46.6122 0.0000 173.9234 89 G 3.9224 8.5278 105.4533 45.1359 0.0000 174.0196 90 A 4.9838 7.7518 121.7313 50.4585 21.8045 176.5370 91 L 4.6004 8.1475 120.5053 53.9885 43.0306 176.1228 92 V 4.6668 8.8298 125.1656 60.9938 34.1518 173.8466 93 Q 4.9542 9.1321 129.8049 54.2670 31.6027 173.9625 94 V 4.8087 8.5732 126.6148 61.2692 34.0975 174.0361 95 Q 5.1190 9.1882 127.1914 54.0897 31.4028 174.6765 96 K 5.4411 9.0500 123.7057 54.4687 35.8540 175.2923 97 W 4.9618 9.1824 118.9729 56.3255 31.8229 174.2231 98 D 4.3488 9.8157 121.6029 55.5266 37.9149 174.7322 99 G 3.7496 8.1838 103.4691 45.7391 0.0000 173.8850 100 K 4.2871 7.2937 119.5814 54.4465 34.4911 175.0165 101 S 5.3408 7.6394 113.2985 57.7027 65.8600 173.2381 102 T 5.0268 9.2875 115.2570 60.9130 71.2655 172.3855 103 T 5.1112 8.7504 122.9781 61.7954 71.4993 173.5410 104 I 4.5584 9.0415 127.1210 59.4671 40.0138 174.2633 105 K 4.8726 9.3418 129.5165 54.5754 34.6210 174.8717 106 R 4.9785 9.0775 126.7754 54.3512 32.6044 174.8892 107 K 5.1334 9.0530 124.9960 54.6666 36.1953 175.4260 108 R 4.5562 8.5900 124.9632 55.9738 31.4060 176.0085 109 D 4.4788 8.9794 122.4115 53.0781 43.9109 175.2708 110 G 3.6636 8.3979 119.3350 47.2299 0.0000 172.8816 111 D 4.7336 8.8695 124.0205 53.3816 39.8047 176.0429 112 K 4.9821 8.1403 120.0078 55.0910 35.4690 174.8714 113 L 4.6220 8.7526 124.3542 53.3884 44.0477 175.0774 114 V 4.6535 8.8057 127.5942 61.2858 33.7539 174.4335 115 V 4.7415 9.2624 128.3126 61.4294 33.8405 174.3530 116 E 5.4542 8.8075 127.0100 53.5590 33.6400 174.9472 *118 V 4.4346 7.9967 118.8725 63.3985 33.1769 174.0919 119 M 4.9852 9.2547 127.0000 55.1221 35.1305 174.8942 120 K 3.8486 9.8481 126.9167 57.6428 29.7994 176.0558 121 G 3.8832 8.2824 103.5540 45.6674 0.0000 173.4689 122 V 4.2475 8.0005 121.1232 61.2956 32.5781 174.5754 123 T 4.8324 8.5001 123.6369 61.7459 70.5599 173.0647 124 S 4.9387 8.4144 121.0833 57.2184 64.6556 172.5067 125 T 5.0183 8.7992 123.4431 61.8498 71.2102 173.1577 126 R 4.9036 9.3222 125.7793 54.2287 33.4593 174.7838 127 V 4.7552 8.5621 123.9507 61.3384 33.9920 173.9650 128 Y 5.4348 9.1858 125.0007 56.1631 41.8511 174.3541 129 E 5.4673 9.2670 119.6435 54.2215 33.5102 175.3641 130 R 3.8268 8.5850 119.3328 56.0270 30.8778 176.6835 131 A 4.1963 8.5757 124.1687 52.2621 17.9804 177.3560 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 1 C 8.20 4.89 0.00 3.08 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 2 D 8.38 4.20 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 3 A 8.76 3.71 0.84 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 0.00 0.00 0.00 0.00 0.00 4 F 8.05 4.73 0.00 3.23 3.12 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 5 V 7.52 3.90 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 0.76 0.00 0.00 1.07 0.00 0.00 6 G 7.71 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 7 T 7.53 4.91 4.13 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 0.00 0.00 1.21 0.00 0.00 8 W 9.38 5.34 0.00 3.23 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 9 K 9.36 5.10 0.00 1.84 1.99 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.42 7.81 10 L 7.92 3.64 0.00 1.67 1.47 0.09 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.79 4.40 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 12 S 7.40 4.63 0.00 3.79 3.84 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 0.00 0.00 0.00 13 S 8.36 4.96 0.00 3.62 3.60 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 0.00 0.00 0.00 0.00 14 E 8.87 4.50 0.00 1.89 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 0.00 2.21 2.21 0.00 15 N 9.12 4.53 0.00 3.01 3.10 0.00 0.00 6.84 7.71 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 16 F 8.35 4.45 0.00 3.08 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 17 D 8.14 4.11 0.00 2.79 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.05 4.32 0.00 2.92 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 19 Y 7.97 4.03 0.00 3.12 3.08 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 0.00 20 M 7.93 3.72 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.14 0.00 21 K 7.92 3.82 0.00 1.86 1.84 0.00 1.86 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.52 7.81 22 E 7.78 3.99 0.00 2.08 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 2.45 2.32 0.00 23 V 7.20 3.85 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 0.71 0.00 0.00 0.25 0.00 0.00 24 G 7.62 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 25 V 7.53 3.63 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 0.74 0.00 0.00 0.92 0.00 0.00 26 G 8.60 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 27 F 9.01 3.93 0.00 3.17 3.08 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 0.00 28 A 8.22 4.09 1.42 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 0.00 0.00 29 T 7.91 3.86 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 1.35 0.00 0.00 30 R 8.23 3.70 0.00 1.72 1.93 0.00 3.11 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.89 0.00 31 K 7.25 3.75 0.00 1.76 1.80 0.00 1.63 0.00 0.00 1.50 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.15 1.30 7.81 32 V 7.38 3.70 2.12 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 1.21 0.00 0.00 0.98 0.00 0.00 33 A 7.99 3.42 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.17 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 0.00 0.00 0.00 35 M 7.59 4.20 0.00 1.96 2.28 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.83 0.00 36 A 7.01 4.25 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 37 K 8.10 4.55 0.00 1.70 1.70 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.35 7.81 38 P 0.00 4.86 0.00 2.23 2.27 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 39 N 8.88 5.29 0.00 3.15 3.10 0.00 0.00 6.38 7.53 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 40 M 9.31 4.92 0.00 1.69 1.42 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 41 I 9.18 5.00 1.91 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 1.25 0.50 0.93 0.00 0.00 42 I 8.99 5.16 2.31 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.82 1.02 0.00 0.00 43 S 9.14 5.07 0.00 3.81 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 44 V 8.18 4.79 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 0.77 0.00 0.00 0.91 0.00 0.00 45 N 8.98 4.73 0.00 2.62 2.55 0.00 0.00 6.92 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.23 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 0.00 0.00 0.00 47 D 8.82 4.62 0.00 2.76 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 48 L 7.86 4.50 0.00 1.70 1.51 0.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.08 4.45 0.67 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 0.74 0.00 0.00 0.69 0.00 0.00 50 T 8.69 4.91 4.17 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 1.25 0.00 0.00 51 I 8.90 4.84 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.01 0.93 0.00 0.00 52 R 9.26 5.11 0.00 1.88 1.84 0.00 3.08 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 53 S 9.01 5.28 0.00 3.87 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 54 E 9.04 5.39 0.00 2.16 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 2.30 2.13 0.00 55 S 8.41 4.83 0.00 3.91 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 T 8.73 4.05 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 1.25 0.00 0.00 57 F 8.05 4.55 0.00 2.93 3.19 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 58 K 7.59 4.34 0.00 1.08 1.40 0.00 1.36 0.00 0.00 1.21 0.00 0.00 2.91 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.15 1.31 7.81 59 N 8.59 5.36 0.00 2.67 2.72 0.00 0.00 6.55 7.05 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 60 T 9.19 4.96 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 1.21 0.00 0.00 61 E 8.56 5.24 0.00 1.97 1.82 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 2.21 2.33 0.00 62 I 8.90 4.79 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.87 1.13 0.00 0.00 63 S 8.47 5.10 0.00 3.66 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.51 0.00 2.38 1.54 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 0.00 0.00 0.00 0.00 65 K 8.41 4.95 0.00 1.75 1.75 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.40 7.81 66 L 8.66 4.33 0.00 1.68 1.70 0.96 1.09 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 67 G 9.62 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 68 V 7.52 4.35 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 0.88 0.00 0.00 1.03 0.00 0.00 69 E 8.90 4.53 0.00 2.04 1.88 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 2.27 2.26 0.00 70 F 8.92 5.16 0.00 3.10 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 71 D 8.82 5.05 0.00 2.66 2.66 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 0.00 0.00 0.00 0.00 72 E 8.99 4.75 0.00 2.00 1.53 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 2.16 2.33 0.00 73 I 8.35 4.93 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.88 0.00 0.00 74 T 8.75 4.13 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 1.01 0.00 0.00 75 A 8.59 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.08 4.82 0.00 2.84 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 77 D 8.23 4.45 0.00 2.77 2.80 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 78 R 7.69 4.09 0.00 1.39 1.23 0.00 2.21 0.00 0.00 2.65 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.32 0.00 79 K 8.52 4.75 0.00 1.75 1.74 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.45 7.81 80 V 8.86 4.80 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 0.34 0.00 0.00 0.81 0.00 0.00 81 K 9.00 4.92 0.00 1.59 1.72 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.52 7.81 82 S 8.41 5.11 0.00 2.72 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 83 I 8.28 4.92 1.85 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 1.23 0.67 0.94 0.00 0.00 84 I 8.54 5.10 1.51 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.79 0.86 0.00 0.00 85 T 8.99 4.96 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 86 L 8.48 4.98 0.00 1.69 1.66 nan 1.16 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 87 D 9.15 4.48 0.00 2.63 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 9.84 4.05 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 0.00 89 G 8.53 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.75 4.98 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 91 L 8.15 4.60 0.00 1.08 1.34 0.45 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.83 4.67 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 1.01 0.00 0.00 0.92 0.00 0.00 93 Q 9.13 4.95 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 94 V 8.57 4.81 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 0.93 0.00 0.00 0.93 0.00 0.00 95 Q 9.19 5.12 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.53 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 96 K 9.05 5.44 0.00 1.66 1.68 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 97 W 9.18 4.96 0.00 3.49 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 98 D 9.82 4.35 0.00 2.44 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 3.75 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 0.00 0.00 0.00 100 K 7.29 4.29 0.00 0.79 0.74 0.00 0.83 0.00 0.00 1.29 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.95 1.00 7.81 101 S 7.64 5.34 0.00 3.94 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 0.00 102 T 9.29 5.03 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 103 T 8.75 5.11 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 1.26 0.00 0.00 104 I 9.04 4.56 1.83 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 1.09 0.79 0.85 0.00 0.00 105 K 9.34 4.87 0.00 1.75 1.62 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 R 9.08 4.98 0.00 1.40 1.63 0.00 2.93 0.00 0.00 2.88 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.40 0.00 107 K 9.05 5.13 0.00 1.81 1.60 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.48 7.81 108 R 8.59 4.56 0.00 1.60 1.74 0.00 3.01 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.16 0.00 109 D 8.98 4.48 0.00 2.59 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.87 4.73 0.00 2.84 2.82 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 0.00 112 K 8.14 4.98 0.00 1.84 1.91 0.00 1.88 0.00 0.00 1.69 0.00 0.00 2.80 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.43 1.55 7.81 113 L 8.75 4.62 0.00 0.27 0.77 0.87 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.81 4.65 2.17 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 0.95 0.00 0.00 0.93 0.00 0.00 115 V 9.26 4.74 2.20 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 0.89 0.00 0.00 0.89 0.00 0.00 116 E 8.81 5.45 0.00 1.90 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 2.20 2.04 0.00 *118 V 8.00 4.43 2.14 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 1.00 0.00 0.00 0.95 0.00 0.00 119 M 9.25 4.99 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 120 K 9.85 3.85 0.00 1.89 1.82 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.32 7.81 121 G 8.28 3.88 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 0.00 0.00 0.00 122 V 8.00 4.25 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 1.18 0.00 0.00 0.95 0.00 0.00 123 T 8.50 4.83 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 1.21 0.00 0.00 124 S 8.41 4.94 0.00 4.13 3.45 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 0.00 125 T 8.80 5.02 4.23 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 1.20 0.00 0.00 126 R 9.32 4.90 0.00 1.64 1.62 0.00 2.71 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.40 0.00 127 V 8.56 4.76 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 0.99 0.00 0.00 0.91 0.00 0.00 128 Y 9.19 5.43 0.00 3.07 3.10 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 0.00 129 E 9.27 5.47 0.00 2.09 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 2.26 2.32 0.00 130 R 8.58 3.83 0.00 1.46 1.53 0.00 2.95 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 131 A 8.58 4.20 1.15 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.