NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5956 8.4293 117.3754 54.2877 29.9325 171.7639 *2 I 4.1382 7.8086 107.9693 62.7117 39.3701 174.5093 3 V 4.8881 8.3448 122.7496 61.1956 34.2227 173.6733 4 E 4.9474 9.5087 129.8655 54.9237 30.9596 174.4473 5 E 4.6913 8.8289 128.6710 54.9287 31.4817 174.5809 6 R 5.0701 8.8455 126.2924 54.4280 33.4556 175.1374 7 I 4.8520 8.9281 123.6772 59.9406 40.8315 173.8704 8 Y 5.4070 8.8850 124.9993 56.1606 41.3394 174.7822 9 R 4.9102 8.8864 123.8447 54.9247 31.9651 174.9524 10 I 4.6613 8.9098 128.3217 59.7320 39.0153 176.1531 11 R 4.0095 8.8843 125.3754 56.0570 31.2479 176.7249 12 G 3.8215 8.6680 111.6686 47.4492 0.0000 173.9861 13 G 3.9492 9.0267 111.9061 45.5090 0.0000 174.1243 14 K 4.4012 7.6154 120.4533 54.8947 31.3404 176.5742 *16 Q 4.3843 7.7309 120.2797 55.8556 31.5770 177.9181 17 E 3.9626 8.2184 117.7678 59.2676 29.7839 177.8453 18 Y 4.0370 8.5030 120.0407 60.9388 38.9012 178.2937 19 L 4.0544 8.1533 119.2928 57.5134 41.6990 179.1806 20 K 3.8789 8.1686 119.6046 59.4868 32.0684 178.7586 21 L 4.0388 7.8237 119.1359 57.8380 41.5185 179.7585 22 V 3.4695 7.4921 117.8924 65.9650 31.2606 177.9537 23 R 3.7205 8.1072 117.3365 59.2603 29.9954 177.5675 24 E 4.3338 8.1916 116.4545 56.9957 30.0794 176.0854 25 E 4.3384 7.6980 115.2286 57.6900 32.2734 178.2601 26 G 2.9520 7.8354 105.3592 47.7924 0.0000 175.6337 27 I 3.8547 7.9370 121.7859 63.2968 37.6965 177.7965 28 A 4.0502 7.8125 120.6951 54.8022 17.4770 179.1913 29 I 3.8828 7.2811 118.8418 64.3482 37.2534 178.3810 30 Q 3.5843 8.1038 120.1260 58.8933 28.9598 177.9467 31 A 4.2916 8.0919 121.7892 54.9128 18.2871 177.7209 32 P 4.2557 0.0000 0.0000 65.7573 31.4312 178.7246 33 I 3.8424 6.9361 117.9090 64.4893 37.2348 178.3130 34 L 4.1247 7.6789 118.5495 56.0874 41.3841 177.4591 35 G 4.1476 10.2380 106.3837 45.7549 0.0000 173.8205 36 N 4.8976 7.5852 116.3057 52.1804 39.8228 171.9151 37 L 3.4169 7.8679 121.2024 54.8487 43.0252 176.2584 38 I 3.9477 7.9325 127.1836 63.0732 37.9223 176.1414 39 G 3.7740 6.9715 106.6794 44.3289 0.0000 170.8271 40 Y 4.5347 6.9824 120.6965 55.7157 41.6799 174.2379 41 F 5.1564 9.3909 124.4313 55.9460 44.0471 173.4370 42 V 4.8529 8.4848 121.5615 61.3761 33.2052 175.3696 43 T 4.0558 8.7436 125.5349 63.8801 68.2824 173.8918 44 D 4.6478 8.8866 124.8824 54.8934 42.6794 176.3593 45 I 4.5280 8.2970 118.7243 59.5669 40.6357 174.1560 46 G 3.7148 8.7184 114.7422 43.9338 0.0000 170.5516 47 P 4.2920 0.0000 0.0000 62.7147 31.8800 175.8849 48 L 4.5563 8.2940 122.3168 53.4722 44.2420 175.4349 49 S 3.6847 8.4322 111.1265 59.9142 60.8229 171.2682 50 Q 5.1035 7.7935 119.0338 54.3206 32.4749 174.4185 51 V 5.0276 8.7334 119.0565 59.6746 35.0565 174.6625 52 I 5.0533 8.8937 124.8228 59.8913 40.7876 174.4120 53 H 5.3266 8.4109 120.5178 52.6960 32.8057 171.7431 *55 W 4.7419 8.4439 116.4767 56.6480 30.4824 174.9000 56 G 4.3561 8.8449 111.7833 45.0752 0.0000 172.6542 57 Y 5.0578 8.6791 120.2897 55.9611 41.6755 175.6798 58 A 4.1623 8.6677 124.5828 55.2004 18.9477 178.3969 59 S 4.6357 7.5213 108.4557 56.5437 66.8877 175.6078 60 L 3.9345 8.3304 121.9239 57.7779 41.2971 179.4721 61 D 4.2882 7.9864 118.6845 57.1157 40.7182 177.9420 62 D 4.2599 8.0690 118.6239 57.3637 41.2798 178.0727 63 R 2.8392 7.8041 118.8785 59.3252 29.8538 178.2999 64 A 3.9421 7.8582 120.3026 54.8802 18.4295 179.2450 65 E 3.8288 8.2672 118.0313 59.4453 29.6922 179.3927 66 R 3.8832 8.1787 118.3433 59.3722 30.2465 179.2206 67 R 3.8482 8.3884 118.3033 59.0459 29.8327 179.4267 68 G 3.5628 8.1546 105.7228 47.6087 0.0000 176.0137 69 K 3.9682 7.6063 119.7833 58.9476 32.3357 178.7735 70 L 3.8145 7.9188 120.4754 58.1978 41.7216 179.0029 71 A 4.2448 7.6694 119.0461 54.9512 18.3808 178.6613 72 E 4.3477 7.6905 114.6347 56.2417 30.1952 176.2165 73 D 4.5165 7.6745 120.9188 53.5437 42.0169 176.1335 74 Q 4.0152 9.1506 127.7818 59.8949 28.7005 179.1953 75 R 4.0131 8.2483 118.5044 58.8628 30.1442 178.7748 76 W 4.4519 8.5432 127.7513 60.8251 30.6064 177.8844 77 Q 4.0958 8.3359 116.5972 58.8854 28.2340 178.3221 78 A 4.1399 7.9857 120.3312 53.8198 18.7649 178.8326 79 F 4.2915 7.5737 119.5312 60.7253 39.9322 177.3847 80 I 2.7800 7.5136 118.3590 63.5284 37.2337 175.9391 81 P 4.2630 0.0000 0.0000 65.4425 30.8754 178.6798 82 R 3.8986 7.4007 116.2432 58.5590 30.1777 178.4575 83 L 3.9478 6.8627 119.8616 58.1079 42.1929 178.9189 84 S 4.0923 8.3075 115.6827 61.3484 62.4613 176.9766 85 V 3.6827 7.2107 119.6582 64.0681 31.2695 177.5421 86 L 4.4737 7.9764 118.5583 54.2300 41.6878 175.9267 87 I 4.3297 6.8445 120.6025 60.2517 37.6302 175.2432 88 E 4.2173 8.9259 127.9928 58.8322 30.2104 176.4168 89 S 4.8320 7.7769 111.7738 57.3489 66.0455 172.9711 90 S 5.4645 8.3316 117.5300 57.6409 65.9970 172.3892 91 E 4.9738 9.1088 117.5665 56.0877 33.0485 173.4053 92 N 5.6771 8.5760 117.1680 52.2371 40.9762 173.0751 93 R 4.7152 8.7615 114.1534 55.3090 33.4557 173.7940 94 I 4.8232 8.3004 120.6376 59.7363 39.2662 174.9827 95 L 4.6283 9.3452 128.1024 53.1573 43.8447 175.6493 96 L 4.7318 8.3088 123.4207 52.1837 42.9871 174.8124 97 P 4.1951 0.0000 0.0000 62.7649 32.1827 176.6738 98 T 4.0515 7.8449 111.8332 60.7610 69.6440 174.8288 99 D 4.6164 8.2609 119.7614 54.3210 39.5174 176.5499 100 F 4.8880 7.0352 114.0771 56.6194 38.1680 174.5359 101 S 4.5299 7.5073 115.9416 56.7641 62.7395 172.3073 102 P 4.2052 0.0000 0.0000 64.8359 31.2432 175.7666 103 L 4.4519 7.5757 119.6910 53.8267 41.8798 176.0599 104 R 4.1501 8.2072 121.8858 56.7727 28.7634 174.7551 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 *0 H 8.43 4.60 0.00 2.95 2.98 0.00 7.20 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 I 7.81 4.14 1.93 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 1.29 0.79 0.94 0.00 0.00 3 V 8.34 4.89 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 0.96 0.00 0.00 0.94 0.00 0.00 4 E 9.51 4.95 0.00 2.22 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 0.00 2.40 2.34 0.00 5 E 8.83 4.69 0.00 2.13 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 2.21 2.25 0.00 6 R 8.85 5.07 0.00 1.39 1.48 0.00 3.34 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 7 I 8.93 4.85 1.91 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 1.20 0.70 0.93 0.00 0.00 8 Y 8.88 5.41 0.00 2.76 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 9 R 8.89 4.91 0.00 1.89 1.79 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 10 I 8.91 4.66 1.80 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.46 0.94 0.00 0.00 11 R 8.88 4.01 0.00 1.75 1.86 0.00 3.14 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 12 G 8.67 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 13 G 9.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.62 4.40 0.00 1.99 1.81 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.54 7.81 *16 Q 7.73 4.38 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 17 E 8.22 3.96 0.00 2.07 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 0.00 2.41 2.39 0.00 18 Y 8.50 4.04 0.00 3.15 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 19 L 8.15 4.05 0.00 1.81 1.74 1.01 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.17 3.88 0.00 1.96 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 21 L 7.82 4.04 0.00 1.89 1.97 0.83 0.93 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 22 V 7.49 3.47 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 0.72 0.00 0.00 0.69 0.00 0.00 23 R 8.11 3.72 0.00 1.75 1.94 0.00 3.27 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 24 E 8.19 4.33 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 25 E 7.70 4.34 0.00 1.94 1.49 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 2.23 2.24 0.00 26 G 7.84 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 0.00 0.00 0.00 27 I 7.94 3.85 1.87 0.00 0.00 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 1.39 1.27 0.88 0.00 0.00 28 A 7.81 4.05 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 29 I 7.28 3.88 2.18 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 1.45 0.89 1.03 0.00 0.00 30 Q 8.10 3.58 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 1.89 1.64 0.00 31 A 8.09 4.29 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 0.00 0.00 32 P 0.00 4.26 0.00 2.01 2.13 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 33 I 6.94 3.84 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.40 0.80 0.00 0.00 34 L 7.68 4.12 0.00 1.22 1.41 -0.62 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 35 G 10.24 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 36 N 7.59 4.90 0.00 2.72 2.76 0.00 0.00 6.87 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 37 L 7.87 3.42 0.00 1.16 1.38 -0.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.93 3.95 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.88 0.00 0.00 39 G 6.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 6.98 4.53 0.00 2.68 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 41 F 9.39 5.16 0.00 2.88 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 42 V 8.48 4.85 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 0.87 0.00 0.00 1.06 0.00 0.00 43 T 8.74 4.06 4.37 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 1.24 0.00 0.00 44 D 8.89 4.65 0.00 2.62 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 45 I 8.30 4.53 1.86 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 1.35 0.78 0.91 0.00 0.00 46 G 8.72 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 47 P 0.00 4.29 0.00 2.06 2.01 0.00 3.65 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 2.15 2.10 0.00 48 L 8.29 4.56 0.00 1.62 1.59 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.43 3.68 0.00 3.98 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 50 Q 7.79 5.10 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.63 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 51 V 8.73 5.03 2.26 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 0.77 0.00 0.00 0.90 0.00 0.00 52 I 8.89 5.05 1.97 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 1.25 0.84 0.98 0.00 0.00 53 H 8.41 5.33 0.00 2.39 1.64 0.00 5.76 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 W 8.44 4.74 0.00 3.43 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 56 G 8.84 4.36 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 0.00 57 Y 8.68 5.06 0.00 2.86 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 58 A 8.67 4.16 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 59 S 7.52 4.64 0.00 4.02 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.33 3.93 0.00 1.68 1.70 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.99 4.29 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.07 4.26 0.00 2.82 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 63 R 7.80 2.84 0.00 0.91 1.65 0.00 2.85 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.51 0.00 64 A 7.86 3.94 1.29 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 0.00 0.00 0.00 65 E 8.27 3.83 0.00 2.12 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 2.28 2.32 0.00 66 R 8.18 3.88 0.00 1.89 2.08 0.00 3.45 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 67 R 8.39 3.85 0.00 1.73 1.87 0.00 2.98 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 68 G 8.15 3.56 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 0.00 69 K 7.61 3.97 0.00 2.15 1.83 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.32 7.81 70 L 7.92 3.81 0.00 1.37 1.54 -0.22 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.67 4.24 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 4.35 0.00 2.05 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 2.51 0.00 73 D 7.67 4.52 0.00 2.85 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 74 Q 9.15 4.02 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 75 R 8.25 4.01 0.00 2.19 2.04 0.00 3.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 76 W 8.54 4.45 0.00 3.39 3.37 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 77 Q 8.34 4.10 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.71 0.00 78 A 7.99 4.14 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 79 F 7.57 4.29 0.00 3.11 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 80 I 7.51 2.78 0.58 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.61 0.68 0.00 0.00 81 P 0.00 4.26 0.00 2.05 1.97 0.00 3.42 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 2.05 2.05 0.00 82 R 7.40 3.90 0.00 1.54 1.79 0.00 3.09 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 83 L 6.86 3.95 0.00 0.97 1.40 0.50 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.31 4.09 0.00 3.78 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 85 V 7.21 3.68 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 0.74 0.00 0.00 0.90 0.00 0.00 86 L 7.98 4.47 0.00 1.99 1.84 1.02 0.60 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 87 I 6.84 4.33 1.75 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.69 0.00 0.00 88 E 8.93 4.22 0.00 2.30 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 2.31 2.12 0.00 89 S 7.78 4.83 0.00 3.89 3.63 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 90 S 8.33 5.46 0.00 4.01 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 91 E 9.11 4.97 0.00 2.08 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 2.36 2.28 0.00 92 N 8.58 5.68 0.00 2.86 2.88 0.00 0.00 5.84 7.66 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 93 R 8.76 4.72 0.00 1.91 2.03 0.00 2.73 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 94 I 8.30 4.82 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.94 0.00 0.00 95 L 9.35 4.63 0.00 1.56 1.56 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 96 L 8.31 4.73 0.00 1.48 1.58 0.92 1.07 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 97 P 0.00 4.20 0.00 1.97 2.13 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 98 T 7.84 4.05 3.41 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 0.88 0.00 0.00 99 D 8.26 4.62 0.00 2.81 2.81 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 0.00 0.00 0.00 100 F 7.04 4.89 0.00 3.04 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 0.00 101 S 7.51 4.53 0.00 3.67 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 0.00 102 P 0.00 4.21 0.00 2.09 2.13 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 103 L 7.58 4.45 0.00 1.56 1.58 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.21 4.15 0.00 1.87 1.85 0.00 3.10 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.