NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1446 8.1801 120.5521 54.6937 43.2328 175.7156 2 A 4.6119 7.6561 122.3765 49.8153 22.3857 173.9530 3 W 5.2192 10.0344 123.3880 54.7219 33.0561 173.6546 4 L 4.5735 9.6793 125.7478 54.6422 42.2590 178.0903 5 I 3.9846 8.8615 122.9224 64.8623 37.9404 177.9619 6 S 4.2987 8.2504 113.1414 61.4434 62.2896 175.7179 7 E 4.1856 8.6279 121.5754 58.9101 29.1888 178.9622 8 F 3.6501 8.2603 120.2562 60.9171 39.5344 176.5818 9 A 3.7294 8.4094 120.8310 55.4362 18.0761 179.5123 10 S 3.9723 7.7708 111.2246 61.4345 62.2548 176.4599 11 V 3.9477 7.4915 119.9112 63.0177 31.3719 176.9547 12 G 3.5006 6.9214 106.8388 44.0252 0.0000 172.7554 13 D 4.2033 7.2343 116.1133 54.9373 40.0389 173.4325 14 V 4.4245 7.5330 116.4292 60.3859 35.5299 175.3103 15 T 4.2173 8.0061 115.1970 61.2211 70.9936 176.0414 16 V 3.6475 8.1977 121.1576 65.9180 31.1274 178.3977 17 R 3.8731 7.9040 118.1722 59.2181 29.9682 178.1560 18 A 3.7753 7.8119 120.6039 55.0961 18.4755 179.5492 19 L 4.0224 7.6998 117.0737 58.1205 41.6063 180.0317 20 R 4.1312 7.8833 117.9697 58.9212 29.8993 178.4939 21 Y 4.1882 7.6283 119.1797 60.9820 38.9290 177.2380 22 Y 4.3521 8.3544 117.9132 60.7554 37.9777 178.1651 23 D 4.5822 8.0471 120.3679 56.3844 41.2163 178.0402 24 K 3.9054 7.9656 119.6178 59.5921 32.1924 177.7446 25 I 3.8143 7.7195 109.1824 61.0591 37.5496 175.1225 26 N 4.2610 7.7079 118.2809 54.9465 37.5143 174.8593 27 L 4.0839 8.5132 120.6356 56.4574 42.3789 176.2279 28 L 4.3959 7.5069 120.9857 54.0243 42.9110 173.6606 29 K 4.7311 8.3405 125.5092 53.5387 33.9098 175.1927 30 P 4.0880 0.0000 0.0000 62.6275 31.5507 177.0344 31 S 4.2684 8.2251 117.4973 60.9093 63.1556 174.0141 32 D 4.9255 7.6649 118.4709 52.6888 44.7816 173.8056 33 Y 4.7929 8.1279 117.2275 56.1721 41.3188 175.6332 34 T 4.1812 9.4819 118.1681 61.6394 68.1210 174.8145 35 E 3.9814 8.7251 123.9088 57.4839 29.8137 176.9856 36 G 4.0734 7.7626 106.9358 45.7153 0.0000 173.2746 37 G 4.1543 8.5501 110.0153 45.2826 0.0000 174.9919 38 H 4.4496 7.9191 116.6520 56.0654 29.6207 175.4601 39 R 3.4865 8.5744 119.3993 55.6025 31.1012 175.7131 40 L 4.7655 8.4644 121.3672 53.2765 45.0165 175.1336 41 Y 4.6628 9.0665 122.3606 57.1907 40.0109 175.5900 42 T 5.0658 9.4361 120.2962 61.8658 71.4329 175.7798 43 K 4.2384 8.8002 122.4458 59.8471 32.0169 178.3293 44 D 4.5849 8.1435 118.8341 57.6293 40.8073 178.1248 45 D 4.4607 8.2374 118.8258 57.4858 40.7749 178.5631 46 L 3.9585 7.8572 120.6255 58.3375 41.9522 178.7337 47 Y 4.3483 7.4001 116.3346 60.9296 37.7619 178.2104 48 V 3.7394 8.1629 119.4138 65.8088 31.6224 177.9254 49 L 3.9206 8.3794 120.5463 58.2598 41.9314 178.9052 50 Q 3.9399 8.1371 118.0646 59.0076 28.6211 178.9940 51 Q 3.5946 8.5202 119.3944 58.9080 28.9324 178.6683 52 I 3.7673 7.9145 120.9923 64.5467 36.9753 178.4633 53 Q 3.9918 8.0205 118.6471 59.0232 28.3240 179.0375 54 S 3.9454 7.5217 114.7637 61.7589 63.2187 176.6843 55 F 4.8776 7.5966 119.8822 60.0255 38.6863 177.8724 56 K 4.1506 8.1374 119.4804 59.7216 31.7583 178.2821 57 H 4.2673 7.9792 117.9142 58.7891 29.8453 176.3639 58 L 4.3430 7.7924 118.4122 54.8368 41.9060 177.5661 59 G 3.9645 7.9029 107.7782 44.8692 0.0000 174.0157 60 F 4.5080 7.7285 118.4243 57.0468 39.7229 176.0162 61 S 4.4977 8.6599 119.4187 58.1429 65.2237 175.4504 62 L 4.1246 8.6328 122.6895 57.8621 40.7911 180.1534 63 G 3.5853 8.0289 105.5310 47.6902 0.0000 175.3540 64 E 3.9232 7.9884 121.7012 58.7988 29.6009 178.7304 65 I 3.4797 7.9239 120.1432 64.3336 36.9709 177.9205 66 Q 3.8896 7.5814 118.4323 59.3465 29.0525 177.5246 67 N 4.3314 7.6556 116.8844 56.7767 38.8589 176.7775 68 I 3.4537 7.4872 120.8470 64.4073 37.0506 178.3358 69 I 4.0216 7.6201 117.9534 62.9582 36.8895 177.1606 70 L 4.6156 7.1334 119.2074 53.3438 41.9812 175.8563 71 Q 4.5219 7.5258 118.1788 53.9211 31.8848 175.2024 72 R 4.0148 8.7995 122.7463 58.8533 30.4542 176.3959 73 D 5.0502 7.6230 116.1245 52.8427 43.4473 175.4890 74 I 4.4200 7.6511 119.2877 59.2234 41.0834 174.0263 75 E 4.0065 8.5345 125.8952 56.2831 29.9956 177.6458 76 T 3.9629 8.8231 123.6023 67.0443 68.4120 175.6104 77 E 3.9560 8.2020 121.1538 59.2609 29.3013 178.8454 78 V 3.5542 7.6311 117.6762 66.0364 31.5693 177.8362 79 F 4.8571 7.7712 116.6451 60.5500 38.8853 177.4760 80 L 4.1135 7.9990 117.5025 58.0947 41.8646 179.6466 81 R 4.1748 8.6524 116.1191 59.1941 29.1630 178.4886 82 Q 3.8631 7.7070 117.1865 57.0539 28.4609 176.7997 *84 H 4.5914 8.2847 117.4682 55.8458 31.7815 175.1005 85 F 3.9829 8.3365 120.6752 61.5008 39.1952 177.0630 86 Q 4.0808 8.5060 117.9315 58.9243 28.4485 178.7693 87 R 3.8313 7.9489 119.2721 59.5682 30.0728 178.3175 88 E 3.8422 7.6325 116.9817 59.0751 29.4981 179.3452 89 V 3.4616 7.4342 118.2855 66.1902 31.6646 178.2424 90 L 4.0437 8.4885 118.7476 57.5865 41.3317 179.5344 91 L 3.9962 7.9047 119.0528 57.5460 41.4554 179.2532 92 A 4.0311 8.0522 120.8493 54.7278 18.2020 179.3703 93 E 3.8511 7.9421 117.7864 59.3663 29.7082 178.8479 94 Q 3.9747 8.1024 118.1104 59.0398 28.8266 178.8439 95 E 3.8850 7.9164 118.9223 59.5193 29.6989 179.2410 96 R 3.8840 8.1068 118.7720 59.6060 29.9317 178.6502 97 I 3.6894 8.2076 119.5788 64.3509 37.3333 178.0580 98 A 3.9608 8.3630 122.0088 55.1722 17.9806 179.9920 99 K 3.7922 8.0638 116.8034 59.5035 31.9718 179.5978 100 V 3.4658 7.2387 116.6777 66.1171 31.4918 177.5862 101 L 4.1005 7.8985 117.4941 57.9150 41.6072 179.1706 102 S 4.4097 7.8293 112.6262 61.4897 62.1348 176.9151 103 H 4.2204 8.0000 117.9611 55.6697 28.6433 176.7185 *105 D 4.7080 8.0853 120.9095 54.7536 42.7773 178.9993 106 E 4.0408 7.5675 115.9803 57.5816 29.7076 179.2944 *108 T 4.3821 8.0496 117.5436 63.6501 70.4566 176.1812 109 K 3.9345 8.4189 121.4428 59.4051 32.2235 177.9978 110 K 3.8848 7.9670 116.6214 58.0534 32.1348 177.5410 111 F 4.8153 8.0595 114.4928 56.6190 40.5837 176.2241 112 Q 4.1552 8.1627 123.1127 58.6451 28.9978 177.7213 113 K 4.2041 7.9686 115.8133 58.7840 33.4624 177.2411 114 E 4.1110 7.4563 116.4191 56.4901 29.8893 176.6837 115 E 4.2520 8.6142 120.7686 58.1547 30.2418 176.6369 116 R 4.6868 7.5959 114.9981 54.8777 34.1653 174.2066 117 V 4.2994 8.0128 113.7270 59.5275 33.3516 175.9013 118 N 4.5319 8.7996 123.4883 52.7906 39.3155 175.3506 119 V 3.8253 8.5219 129.1439 65.2103 31.1740 177.9971 120 A 4.0093 7.9947 121.0701 54.5913 18.3760 179.1840 121 L 4.0304 8.8404 119.3117 58.1355 42.1391 178.9075 122 F 4.0477 9.3093 121.7705 61.3785 39.3113 176.9690 123 S 4.1764 8.7298 113.4333 61.5455 61.9814 176.3280 124 S 4.1837 8.1228 115.8057 61.2527 63.0024 175.9891 125 F 4.2328 8.4299 124.3129 61.0723 39.3555 176.9508 126 L 4.0439 8.3000 120.4277 58.2352 41.7479 178.8878 127 Q 4.0179 8.4838 118.4920 59.1067 28.3332 178.6865 128 T 3.5763 7.1167 115.7642 66.5722 68.5229 175.7707 129 F 4.1549 7.3772 116.2450 57.5943 39.2403 175.8552 130 I 3.6142 8.1529 125.0974 61.5235 37.3482 173.0823 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 L 8.18 4.14 0.00 1.19 0.65 0.94 0.15 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 2 A 7.66 4.61 1.09 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 3 W 10.03 5.22 0.00 3.46 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 4 L 9.68 4.57 0.00 1.68 1.65 0.93 0.51 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 5 I 8.86 3.98 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.29 1.01 0.00 0.00 6 S 8.25 4.30 0.00 3.98 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 7 E 8.63 4.19 0.00 2.51 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 0.00 2.44 2.67 0.00 8 F 8.26 3.65 0.00 3.11 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 9 A 8.41 3.73 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.77 3.97 0.00 3.86 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 11 V 7.49 3.95 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 0.02 0.00 0.00 0.86 0.00 0.00 12 G 6.92 3.50 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 0.00 0.00 0.00 13 D 7.23 4.20 0.00 2.66 2.55 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 0.00 14 V 7.53 4.42 1.87 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 0.76 0.00 0.00 0.93 0.00 0.00 15 T 8.01 4.22 4.19 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 1.16 0.00 0.00 16 V 8.20 3.65 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 1.07 0.00 0.00 0.95 0.00 0.00 17 R 7.90 3.87 0.00 1.89 1.85 0.00 3.17 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 18 A 7.81 3.78 1.03 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 0.00 0.00 19 L 7.70 4.02 0.00 1.97 1.90 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.88 4.13 0.00 2.03 2.05 0.00 3.18 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 21 Y 7.63 4.19 0.00 2.97 3.04 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 0.00 0.00 0.00 22 Y 8.35 4.35 0.00 3.06 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 23 D 8.05 4.58 0.00 3.08 2.95 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 24 K 7.97 3.91 0.00 2.03 1.94 0.00 1.95 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.43 7.81 25 I 7.72 3.81 1.72 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.66 0.54 0.00 0.00 26 N 7.71 4.26 0.00 2.92 2.95 0.00 0.00 7.04 7.09 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 27 L 8.51 4.08 0.00 1.47 1.67 0.83 0.32 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 28 L 7.51 4.40 0.00 1.72 1.66 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.34 4.73 0.00 1.83 1.77 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.77 1.47 7.81 30 P 0.00 4.09 0.00 1.44 0.49 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.27 0.00 31 S 8.23 4.27 0.00 3.80 3.97 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 32 D 7.66 4.93 0.00 2.67 2.41 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 33 Y 8.13 4.79 0.00 2.87 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 34 T 9.48 4.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 35 E 8.73 3.98 0.00 1.96 1.96 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 2.29 2.37 0.00 36 G 7.76 4.07 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 37 G 8.55 4.15 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 0.00 38 H 7.92 4.45 0.00 3.13 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.57 3.49 0.00 0.90 1.40 0.00 3.07 0.00 0.00 3.04 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 40 L 8.46 4.77 0.00 1.36 1.46 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 9.07 4.66 0.00 2.36 1.75 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 42 T 9.44 5.07 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 1.25 0.00 0.00 43 K 8.80 4.24 0.00 1.97 1.90 0.00 1.66 0.00 0.00 2.01 0.00 0.00 3.23 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.67 1.27 7.81 44 D 8.14 4.58 0.00 2.89 2.83 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 45 D 8.24 4.46 0.00 2.83 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 46 L 7.86 3.96 0.00 1.55 1.49 0.32 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.40 4.35 0.00 3.30 2.98 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 48 V 8.16 3.74 2.32 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 1.12 0.00 0.00 1.07 0.00 0.00 49 L 8.38 3.92 0.00 1.90 1.76 0.99 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.14 3.94 0.00 2.42 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 51 Q 8.52 3.59 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 52 I 7.91 3.77 1.87 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.27 0.63 0.00 0.00 53 Q 8.02 3.99 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 54 S 7.52 3.95 0.00 3.09 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 55 F 7.60 4.88 0.00 3.24 3.36 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 56 K 8.14 4.15 0.00 2.21 1.98 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.53 1.56 7.81 57 H 7.98 4.27 0.00 3.19 3.60 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.79 4.34 0.00 1.99 1.63 1.36 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.90 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 60 F 7.73 4.51 0.00 3.37 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 61 S 8.66 4.50 0.00 4.11 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 62 L 8.63 4.12 0.00 1.78 1.80 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.03 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 0.00 0.00 0.00 64 E 7.99 3.92 0.00 2.10 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 0.00 2.31 1.93 0.00 65 I 7.92 3.48 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 1.04 0.00 0.00 66 Q 7.58 3.89 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 67 N 7.66 4.33 0.00 2.78 2.81 0.00 0.00 7.31 7.70 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 68 I 7.49 3.45 1.56 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.09 0.30 0.00 0.00 69 I 7.62 4.02 2.01 0.00 0.00 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 1.77 0.74 0.97 0.00 0.00 70 L 7.13 4.62 0.00 1.69 1.66 0.90 0.92 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 71 Q 7.53 4.52 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 72 R 8.80 4.01 0.00 1.80 1.99 0.00 3.18 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 73 D 7.62 5.05 0.00 2.62 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 74 I 7.65 4.42 1.72 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.46 0.64 0.00 0.00 75 E 8.53 4.01 0.00 1.94 1.75 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 2.35 2.25 0.00 76 T 8.82 3.96 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 77 E 8.20 3.96 0.00 2.28 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 2.32 2.47 0.00 78 V 7.63 3.55 1.59 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 0.61 0.00 0.00 0.79 0.00 0.00 79 F 7.77 4.86 0.00 3.41 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 80 L 8.00 4.11 0.00 1.85 1.82 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 81 R 8.65 4.17 0.00 2.01 2.37 0.00 2.77 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.68 0.00 82 Q 7.71 3.86 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.43 0.00 0.00 0.00 0.00 0.00 1.16 1.90 0.00 *84 H 8.28 4.59 0.00 3.35 3.62 0.00 5.73 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.34 3.98 0.00 3.40 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 86 Q 8.51 4.08 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.55 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 87 R 7.95 3.83 0.00 1.82 2.01 0.00 3.13 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 88 E 7.63 3.84 0.00 1.77 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 2.25 2.22 0.00 89 V 7.43 3.46 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 1.04 0.00 0.00 0.96 0.00 0.00 90 L 8.49 4.04 0.00 1.64 1.67 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.90 4.00 0.00 1.79 1.66 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.05 4.03 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.94 3.85 0.00 2.23 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 2.29 2.38 0.00 94 Q 8.10 3.97 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 95 E 7.92 3.89 0.00 2.12 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 2.56 0.00 96 R 8.11 3.88 0.00 1.94 2.06 0.00 3.09 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 97 I 8.21 3.69 1.97 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 1.44 0.70 0.89 0.00 0.00 98 A 8.36 3.96 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 99 K 8.06 3.79 0.00 1.88 1.70 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.67 7.81 100 V 7.24 3.47 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 0.83 0.00 0.00 0.95 0.00 0.00 101 L 7.90 4.10 0.00 1.76 1.71 0.91 0.93 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 0.00 102 S 7.83 4.41 0.00 4.00 3.97 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 0.00 103 H 8.00 4.22 0.00 3.23 3.13 0.00 5.76 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 D 8.09 4.71 0.00 2.90 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 0.00 106 E 7.57 4.04 0.00 1.65 1.64 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 2.12 1.95 0.00 *108 T 8.05 4.38 4.46 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 1.26 0.00 0.00 109 K 8.42 3.93 0.00 1.81 2.09 0.00 1.83 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.44 7.81 110 K 7.97 3.88 0.00 1.49 0.78 0.00 1.32 0.00 0.00 1.52 0.00 0.00 3.11 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.68 0.94 7.81 111 F 8.06 4.82 0.00 3.15 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 0.00 112 Q 8.16 4.16 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 113 K 7.97 4.20 0.00 1.89 1.90 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.36 7.81 114 E 7.46 4.11 0.00 2.20 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 0.00 2.48 2.61 0.00 115 E 8.61 4.25 0.00 1.91 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 2.27 2.39 0.00 116 R 7.60 4.69 0.00 1.80 1.75 0.00 3.38 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 117 V 8.01 4.30 1.57 0.00 0.00 0.00 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 0.58 0.00 0.00 118 N 8.80 4.53 0.00 2.83 2.84 0.00 0.00 6.91 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 0.00 119 V 8.52 3.83 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 0.94 0.00 0.00 0.94 0.00 0.00 120 A 7.99 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 0.00 121 L 8.84 4.03 0.00 1.95 2.06 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 122 F 9.31 4.05 0.00 2.72 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 0.00 123 S 8.73 4.18 0.00 4.06 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 0.00 124 S 8.12 4.18 0.00 4.12 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 0.00 125 F 8.43 4.23 0.00 3.32 3.36 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 0.00 126 L 8.30 4.04 0.00 1.37 1.67 0.94 0.53 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 0.00 127 Q 8.48 4.02 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.52 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 128 T 7.12 3.58 3.61 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 0.57 0.00 0.00 129 F 7.38 4.15 0.00 2.89 2.69 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 0.00 130 I 8.15 3.61 1.90 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 1.13 0.29 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.