NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4395 8.3344 115.2901 58.2862 63.5835 172.6670 8 V 4.3031 8.0233 124.5177 60.4044 34.4910 172.7725 *9 F 4.6845 9.0268 129.5917 55.9856 42.2177 173.4278 10 A 4.7476 8.6413 130.0981 50.3864 21.0523 174.3908 11 Y 4.8095 8.5909 123.7532 55.6249 40.9020 174.5868 12 E 4.2665 8.0337 125.1356 54.3366 32.1834 175.1860 13 S 4.1138 8.1317 119.3421 57.0408 62.9722 173.9789 14 S 4.3171 8.5121 122.1466 59.9046 63.5648 175.6368 15 V 4.0981 7.5004 113.6008 62.1003 31.9360 177.1171 16 H 4.1264 8.0668 119.2506 59.4080 29.6263 177.3090 17 S 4.1023 8.0056 115.1646 61.4728 62.8618 176.3340 18 T 3.9083 7.6974 119.2647 66.3981 68.2978 176.3768 19 N 4.3412 8.4040 118.8339 56.0682 38.4422 177.5940 20 V 3.4945 7.6587 119.6361 65.9640 31.6072 177.7012 21 L 3.8697 7.5379 120.0756 58.0530 41.8595 178.6337 22 L 3.9514 7.9980 120.0800 58.3998 41.9672 179.1725 23 S 4.1606 8.1769 114.9808 61.6712 62.6974 176.7615 24 L 4.0450 8.3379 122.0650 57.8078 41.3350 179.0879 25 N 4.2198 8.7773 117.5200 56.5763 38.8702 176.5166 26 D 4.3048 8.1707 119.6902 57.1725 41.3145 178.1247 27 Q 3.9901 8.3787 118.9260 58.9282 28.7561 178.6449 28 R 3.7031 8.0703 119.6395 59.6319 29.8258 178.7440 29 K 4.0207 7.9659 119.1017 59.8158 32.1544 179.7144 30 K 4.1174 7.9914 121.9072 56.7196 32.0585 178.4392 31 D 4.5411 7.8483 115.8245 56.3909 40.2504 173.3301 32 V 4.2473 8.1337 119.2287 62.4193 33.8055 175.8882 33 L 3.7268 8.5962 124.0556 55.2112 38.4214 172.8483 34 C 4.4297 7.3615 115.1268 60.5489 28.8673 173.3999 35 D 4.9892 8.7380 118.0863 53.1090 41.3172 175.3918 36 V 4.7975 7.7153 118.2485 60.6875 35.5402 173.9225 37 T 5.0018 8.6913 119.1649 62.0554 71.2728 172.9748 38 I 4.9088 9.2065 130.7431 60.5872 39.4939 175.4230 *39 F 5.1882 9.5756 130.3577 56.5162 40.0202 173.0870 40 V 4.4020 8.8309 126.9652 59.3169 34.8739 173.0748 41 E 3.8649 9.8543 123.0758 56.0311 27.0042 171.6863 42 G 3.9697 8.6448 106.7528 47.4819 0.0000 174.4733 43 Q 4.5798 8.3574 120.7755 53.3138 30.5289 178.7325 44 R 5.0171 8.3343 122.9872 55.0269 30.8712 173.5043 45 F 4.8253 9.3825 123.8565 54.6873 41.5793 175.2609 46 R 4.7441 8.7665 123.0633 56.3315 31.1666 175.5495 47 A 4.5294 8.6011 123.0065 51.9390 23.9067 174.2373 48 H 5.2142 9.3694 118.7817 55.0774 30.2931 177.6526 49 R 3.9671 9.9841 126.6396 61.5860 29.2047 176.0163 50 S 4.3159 8.0334 114.2965 61.3700 63.0288 176.7566 51 V 3.4442 7.6672 121.3861 65.6444 31.2128 177.8830 52 L 3.9291 7.8700 118.5328 57.6565 41.1396 179.3893 53 A 4.2339 8.1454 119.8986 55.0710 18.3973 179.1243 54 A 4.1142 7.8739 118.4315 55.3699 18.8129 179.0004 55 C 4.5464 8.2057 113.4473 59.7863 28.8202 173.6301 56 S 4.9578 7.6494 115.8016 55.8619 65.6559 174.8191 57 S 4.2087 8.6485 124.7363 61.7632 62.4411 176.0665 58 Y 3.7909 7.7220 121.8507 60.9704 38.0699 178.5266 59 F 4.3912 7.9309 117.9887 60.5434 38.9387 177.1167 60 H 4.1598 8.4026 118.1379 59.5441 29.4460 177.4803 61 S 4.1436 8.0524 117.8421 62.1429 62.7992 176.9552 62 R 4.2278 7.6106 122.4173 59.9349 29.3776 179.7771 63 I 4.5820 7.0801 117.2581 63.9765 38.0839 183.7428 64 V 3.8828 7.4510 122.1634 62.0020 30.6552 175.7661 *71 L 4.2156 7.7830 117.6236 54.5500 43.5818 176.3317 72 N 5.4355 8.8547 120.0467 51.5413 41.4861 173.7127 73 I 4.5365 8.8981 127.4229 60.4591 39.9721 175.3565 74 T 4.8992 8.7226 124.3620 60.5897 69.5358 171.4581 75 L 4.4675 8.6079 130.1201 52.6887 42.2595 171.9764 76 P 4.4709 0.0000 0.0000 61.8325 32.2705 177.7550 77 E 4.0346 8.5437 116.8439 59.1145 29.6935 175.9384 78 E 3.9392 7.7549 112.3739 58.8040 30.0004 182.7319 79 V 3.8495 7.2435 119.0072 62.3144 32.1802 175.7986 80 T 4.6703 8.0148 117.2379 59.7186 72.5440 175.3793 81 V 3.8352 8.3923 123.7743 66.8542 31.4477 179.0660 82 K 4.1025 8.2289 122.2932 59.4943 31.5419 180.6750 83 G 4.0089 7.6915 104.0861 47.0325 0.0000 175.9729 84 F 4.3001 8.6627 123.5893 60.8715 39.4944 177.1186 85 E 3.7792 8.4797 117.6620 59.2599 29.1731 177.4723 86 P 4.3124 0.0000 0.0000 64.9807 31.2615 178.4839 87 L 4.1191 7.1376 118.3535 57.4433 41.2303 179.1259 88 I 3.5668 7.3571 118.7237 63.8233 37.7748 178.0709 89 Q 4.0721 8.0875 119.1515 58.8089 28.6072 178.1273 90 F 4.3146 8.7641 123.0807 60.8107 39.1654 176.9406 91 A 3.9421 8.1909 118.8237 54.7662 18.1866 178.1961 92 Y 4.3473 7.4245 111.3054 58.1860 38.9755 176.3975 93 T 4.3455 7.5835 107.2616 59.9021 70.4060 174.7614 94 A 3.0132 8.1847 123.5692 51.8572 16.4619 176.7848 95 K 4.6193 8.0807 119.1135 55.0445 34.3282 174.6748 96 L 4.8861 8.7480 127.7916 53.3305 43.3286 175.3811 97 I 4.2779 8.4083 127.8334 60.1447 37.5928 175.2569 98 L 5.0678 8.3503 125.3497 53.0748 44.4436 175.9252 99 S 4.7067 8.7992 116.2248 56.1244 66.2227 175.6986 100 K 3.9507 9.1013 128.8986 61.0578 31.2082 180.3670 101 E 4.3661 7.6105 118.7300 60.5289 30.0558 180.2173 102 N 4.9542 7.9239 116.1190 52.9225 38.0539 177.0548 103 V 3.5388 7.6171 121.3210 66.1830 31.6925 177.3154 104 D 4.2931 8.0746 120.8798 57.6671 40.9080 179.0202 105 E 3.9466 7.9607 118.4859 60.9639 29.8437 181.5318 106 V 3.8759 7.8707 119.5195 65.8607 31.6369 177.6308 107 C 3.5158 7.8275 120.8598 62.8652 31.2082 176.3768 108 K 3.9303 7.8445 125.1471 59.9981 31.2242 180.4514 109 C 4.3786 7.9962 119.6515 61.8383 31.4639 175.8638 110 V 3.5750 7.8567 120.3881 65.9143 30.8886 177.6327 111 E 3.9615 7.8060 117.6804 58.9734 29.5266 178.3631 112 F 4.2503 8.1925 120.1081 61.3065 39.8541 176.9000 113 L 3.5766 8.2531 117.4017 54.5327 42.4182 176.6237 114 S 3.9644 7.7414 115.1174 59.2638 60.7316 172.8495 115 V 4.1385 7.3794 118.2246 61.4088 32.4772 176.5735 116 H 4.5500 8.6168 122.2041 56.2793 29.2919 174.1799 117 N 4.2875 8.7979 115.0695 54.8394 35.6289 174.5925 118 I 4.1254 7.8000 120.5851 59.6362 39.7334 176.0799 119 E 3.9182 8.6636 124.4804 56.3789 28.8921 174.5892 120 E 3.8766 8.7717 124.5621 57.7150 29.8253 176.0609 121 S 3.8995 7.5541 116.2809 64.6821 61.4982 181.2410 122 C 2.7866 7.3266 116.2374 60.1423 29.1896 176.0677 123 F 4.4944 6.8026 122.7414 61.0528 38.2413 177.5977 124 Q 4.2218 8.0522 119.4233 59.1253 27.9847 182.0243 125 F 4.9468 7.3641 118.4325 61.7118 38.9771 177.5837 126 L 4.4727 7.8379 123.4070 58.8028 41.1180 180.3447 127 K 4.4302 8.0492 123.0259 55.0451 31.7548 180.2623 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 7 S 8.33 4.44 0.00 3.85 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 8 V 8.02 4.30 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 0.79 0.00 0.00 0.93 0.00 0.00 *9 F 9.03 4.68 0.00 2.50 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 0.00 0.00 0.00 0.00 10 A 8.64 4.75 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 11 Y 8.59 4.81 0.00 2.80 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 12 E 8.03 4.27 0.00 1.79 1.67 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 2.11 2.17 0.00 13 S 8.13 4.11 0.00 3.67 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 14 S 8.51 4.32 0.00 3.99 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 15 V 7.50 4.10 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 0.82 0.00 0.00 0.96 0.00 0.00 16 H 8.07 4.13 0.00 3.27 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.01 4.10 0.00 4.03 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 0.00 18 T 7.70 3.91 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 1.19 0.00 0.00 19 N 8.40 4.34 0.00 2.86 2.86 0.00 0.00 6.61 8.50 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 20 V 7.66 3.49 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 1.02 0.00 0.00 0.73 0.00 0.00 21 L 7.54 3.87 0.00 1.84 1.73 0.72 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.00 3.95 0.00 2.04 1.84 0.93 0.81 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 23 S 8.18 4.16 0.00 4.04 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 24 L 8.34 4.05 0.00 1.93 1.90 0.79 0.42 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 25 N 8.78 4.22 0.00 3.24 2.98 0.00 0.00 6.83 8.28 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 26 D 8.17 4.30 0.00 2.90 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 27 Q 8.38 3.99 0.00 2.43 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 28 R 8.07 3.70 0.00 1.37 1.75 0.00 2.75 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.58 0.00 29 K 7.97 4.02 0.00 1.99 1.82 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.47 1.32 7.81 30 K 7.99 4.12 0.00 1.87 1.72 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.31 7.81 31 D 7.85 4.54 0.00 2.79 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 32 V 8.13 4.25 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 0.91 0.00 0.00 0.93 0.00 0.00 33 L 8.60 3.73 0.00 1.87 1.60 0.92 0.85 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 34 C 7.36 4.43 0.00 2.96 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 35 D 8.74 4.99 0.00 2.62 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 36 V 7.72 4.80 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 0.78 0.00 0.00 1.00 0.00 0.00 37 T 8.69 5.00 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 1.25 0.00 0.00 38 I 9.21 4.91 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.16 0.93 0.00 0.00 *39 F 9.58 5.19 0.00 1.90 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 0.00 0.00 0.00 0.00 40 V 8.83 4.40 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 0.66 0.00 0.00 0.93 0.00 0.00 41 E 9.85 3.86 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 2.14 1.85 0.00 42 G 8.64 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 0.00 0.00 0.00 43 Q 8.36 4.58 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.81 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 44 R 8.33 5.02 0.00 1.58 1.75 0.00 3.18 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 0.00 45 F 9.38 4.83 0.00 3.15 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 46 R 8.77 4.74 0.00 1.67 1.82 0.00 3.42 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 47 A 8.60 4.53 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 48 H 9.37 5.21 0.00 3.21 3.28 0.00 5.83 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.98 3.97 0.00 1.78 1.95 0.00 3.27 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 50 S 8.03 4.32 0.00 4.04 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 51 V 7.67 3.44 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 0.32 0.00 0.00 0.69 0.00 0.00 52 L 7.87 3.93 0.00 1.71 1.08 0.59 0.74 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 53 A 8.15 4.23 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 54 A 7.87 4.11 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 4.55 0.00 3.07 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 56 S 7.65 4.96 0.00 4.02 4.25 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 0.00 0.00 0.00 0.00 57 S 8.65 4.21 0.00 3.85 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 58 Y 7.72 3.79 0.00 2.74 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 59 F 7.93 4.39 0.00 3.48 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 60 H 8.40 4.16 0.00 3.63 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.05 4.14 0.00 3.80 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 62 R 7.61 4.23 0.00 1.87 1.83 0.00 3.22 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 63 I 7.08 4.58 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 1.41 1.22 0.91 0.00 0.00 64 V 7.45 3.88 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 0.87 0.00 0.00 0.69 0.00 0.00 *71 L 7.78 4.22 0.00 1.70 1.65 0.94 0.61 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 72 N 8.85 5.44 0.00 2.57 2.74 0.00 0.00 6.88 7.45 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 73 I 8.90 4.54 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.32 1.15 0.00 0.00 74 T 8.72 4.90 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 1.21 0.00 0.00 75 L 8.61 4.47 0.00 1.41 1.47 0.92 1.28 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 76 P 0.00 4.47 0.00 1.95 1.98 0.00 3.42 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 77 E 8.54 4.03 0.00 1.99 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 0.00 2.23 1.88 0.00 78 E 7.75 3.94 0.00 1.98 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 2.23 1.86 0.00 79 V 7.24 3.85 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 0.82 0.00 0.00 0.65 0.00 0.00 80 T 8.01 4.67 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 1.17 0.00 0.00 81 V 8.39 3.84 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 1.43 0.00 0.00 1.16 0.00 0.00 82 K 8.23 4.10 0.00 1.89 1.72 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.08 7.81 83 G 7.69 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 0.00 0.00 0.00 84 F 8.66 4.30 0.00 3.04 2.96 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 85 E 8.48 3.78 0.00 2.51 2.57 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 0.00 2.41 2.47 0.00 86 P 0.00 4.31 0.00 2.19 2.17 0.00 3.60 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 2.22 2.20 0.00 87 L 7.14 4.12 0.00 1.76 1.71 0.98 0.56 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 88 I 7.36 3.57 0.66 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 1.58 1.34 0.69 0.00 0.00 89 Q 8.09 4.07 0.00 2.40 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.52 0.00 0.00 0.00 0.00 0.00 2.41 2.70 0.00 90 F 8.76 4.31 0.00 3.20 3.29 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 91 A 8.19 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 7.42 4.35 0.00 3.04 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 93 T 7.58 4.35 4.25 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 0.00 0.00 0.00 1.29 0.00 0.00 94 A 8.18 3.01 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 95 K 8.08 4.62 0.00 1.83 1.69 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.40 7.81 96 L 8.75 4.89 0.00 1.53 1.51 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.41 4.28 1.92 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 1.46 0.76 0.95 0.00 0.00 98 L 8.35 5.07 0.00 1.70 1.66 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.80 4.71 0.00 4.01 3.93 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 0.00 100 K 9.10 3.95 0.00 1.87 1.81 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.11 7.81 101 E 7.61 4.37 0.00 2.21 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 0.00 2.26 2.19 0.00 102 N 7.92 4.95 0.00 3.00 3.09 0.00 0.00 6.69 7.83 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 0.00 103 V 7.62 3.54 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 1.11 0.00 0.00 1.06 0.00 0.00 104 D 8.07 4.29 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.96 3.95 0.00 1.97 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 1.93 0.00 106 V 7.87 3.88 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 0.92 0.00 0.00 1.02 0.00 0.00 107 C 7.83 3.52 0.00 2.05 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 0.00 108 K 7.84 3.93 0.00 1.82 1.80 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.32 7.81 109 C 8.00 4.38 0.00 3.08 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 0.00 110 V 7.86 3.57 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 0.97 0.00 0.00 0.95 0.00 0.00 111 E 7.81 3.96 0.00 2.25 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 2.32 2.18 0.00 112 F 8.19 4.25 0.00 2.91 2.96 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 0.00 113 L 8.25 3.58 0.00 1.79 1.63 1.30 0.21 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 0.00 114 S 7.74 3.96 0.00 3.97 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 0.00 115 V 7.38 4.14 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 0.76 0.00 0.00 1.03 0.00 0.00 116 H 8.62 4.55 0.00 3.26 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 N 8.80 4.29 0.00 3.15 3.07 0.00 0.00 6.73 7.45 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 0.00 118 I 7.80 4.13 1.74 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 0.14 0.41 0.66 0.00 0.00 119 E 8.66 3.92 0.00 1.89 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 2.31 1.87 0.00 120 E 8.77 3.88 0.00 1.89 1.99 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 2.31 1.88 0.00 121 S 7.55 3.90 0.00 3.72 3.86 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 0.00 122 C 7.33 2.79 0.00 2.94 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 0.00 123 F 6.80 4.49 0.00 2.97 2.99 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 0.00 124 Q 8.05 4.22 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 125 F 7.36 4.95 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 0.00 126 L 7.84 4.47 0.00 1.69 1.57 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.05 4.43 0.00 1.77 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.