NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 5.0749 8.1400 114.7949 58.6594 64.4256 172.8892 4 V 3.4877 7.5718 116.9956 63.7753 31.4777 173.5853 5 V 3.4760 7.5942 118.1977 66.3439 31.7758 177.2034 6 T 3.7914 7.4905 112.7944 65.1623 66.8983 176.2495 7 K 4.0273 7.6666 119.7018 58.7523 31.9868 179.6961 8 S 4.1445 8.1405 116.0966 61.4274 62.9152 176.1190 9 I 3.5937 7.5199 122.5166 64.6142 36.6779 178.1537 10 V 3.5374 7.1582 117.1408 66.4103 31.4613 177.3230 11 N 4.4170 7.7883 114.2517 56.4001 38.4062 177.3113 12 A 3.9744 8.4825 122.4199 55.1788 18.4047 179.1580 13 D 4.2944 8.5588 116.3457 56.8642 41.0148 178.1624 14 A 4.0418 7.5633 121.8273 54.3390 18.5802 177.8767 15 E 4.3502 8.0697 112.3911 55.1804 30.3532 175.6501 16 A 3.7591 7.4539 120.6207 52.7212 16.4741 176.8972 17 R 4.7567 7.8097 117.5952 54.6983 35.0412 175.7109 18 Y 3.9430 8.5558 117.2799 57.5416 38.4846 176.4323 19 L 4.1737 8.5679 122.7668 55.4499 42.5645 178.3368 20 S 4.4120 9.3054 118.8522 57.4456 65.0315 173.6156 21 P 4.3704 0.0000 0.0000 66.3083 30.5481 178.8118 22 G 3.6616 8.0303 103.9648 47.5085 0.0000 175.0851 23 E 4.1335 7.9800 120.9370 59.3295 29.5877 179.3276 24 L 3.9930 7.7919 118.5337 58.1132 41.7533 179.3497 25 D 4.4356 8.5128 119.0745 57.3398 40.7392 179.2489 26 R 4.0268 8.2879 119.1710 59.2923 30.1838 179.0361 27 I 3.8265 7.8041 112.1755 63.5748 37.2925 178.0245 28 K 3.9844 8.2025 121.8074 59.6218 32.0148 177.9599 29 N 4.6271 7.8692 114.0958 53.5628 38.7687 175.9549 30 F 4.2120 8.0111 122.7137 59.5314 39.7040 177.5189 31 V 3.8385 7.7902 118.2979 64.9253 31.7451 177.3975 32 S 4.3476 7.7481 113.0941 59.8912 63.5599 175.1186 33 T 4.4619 7.5559 114.6573 62.2967 67.3210 175.8194 34 G 3.7164 7.5924 107.0003 48.6921 0.0000 174.9154 35 E 3.8979 8.0961 121.3699 58.8788 29.8956 178.8528 36 R 3.9686 8.0511 117.7436 59.3916 30.2507 178.1103 37 R 3.8906 7.9047 117.7026 59.6972 30.1733 178.8987 38 L 4.0249 8.0688 118.2332 57.6528 41.5013 179.6505 39 R 3.8789 8.2744 119.1468 59.4552 30.0677 178.6101 40 I 3.6804 7.7447 118.7975 64.3468 37.1277 178.1023 41 A 3.9515 8.0187 121.4968 55.1823 18.0072 179.3306 42 Q 3.8932 8.2069 117.2795 59.7260 29.2785 178.2785 43 T 4.0036 8.1236 114.0741 65.1520 67.3122 176.2513 44 L 4.0528 7.9612 121.0271 57.8536 41.4912 178.8126 45 T 4.1263 8.0483 110.9646 63.6771 67.4191 175.1320 46 E 4.4327 7.7355 118.8268 57.4562 30.3281 176.2451 47 N 4.9426 7.7807 114.5432 52.5143 39.7525 176.0061 48 R 3.9154 7.8683 118.0472 59.7532 28.8007 178.3471 49 E 4.0078 8.1130 117.4319 59.3898 29.8681 179.2647 50 R 4.0350 7.8709 117.0397 59.5739 29.9363 178.8000 51 I 3.6535 7.8608 119.7252 64.7010 37.0442 178.3403 52 V 3.5192 7.5987 118.7006 65.6027 31.4408 177.5790 53 K 3.8850 8.0425 119.7838 59.5320 31.9948 178.6672 54 Q 4.5124 8.1597 118.2486 58.8820 28.1924 178.2690 55 A 4.0299 7.6325 122.4029 54.6475 18.2817 179.8913 56 G 3.2102 7.9641 104.5963 47.6480 0.0000 175.9217 57 D 4.1786 7.9676 121.1656 57.4565 40.4526 178.5889 58 Q 3.9744 8.5577 118.8512 59.0932 28.6037 179.6375 59 L 3.9903 7.4550 120.2736 58.1695 42.1091 178.9040 60 F 4.6352 7.5813 115.3274 59.9092 38.7825 177.1260 61 Q 4.1937 7.9094 119.1477 59.0578 29.1579 177.7424 62 K 4.2236 7.6586 116.9756 58.1721 33.5344 177.5840 63 R 4.7258 8.1948 117.5560 53.6706 30.2309 174.3662 64 P 4.4243 0.0000 0.0000 65.2547 32.1328 179.0777 65 D 4.3136 8.0366 119.0296 57.0603 41.1211 178.6077 66 V 3.5423 8.0374 119.0651 65.3008 31.5342 177.0396 67 V 4.9876 7.1113 109.0024 60.2143 31.7378 175.0081 68 S 4.9933 7.3106 117.5757 55.4268 65.9188 171.0374 69 P 2.9700 0.0000 0.0000 64.4752 30.9012 176.7697 70 G 3.7756 8.4351 110.5961 45.0239 0.0000 173.0811 71 G 4.4881 6.7719 107.3700 42.5260 0.0000 173.0033 72 N 3.9155 8.5244 117.5564 56.7272 39.0998 174.7242 *75 A 4.4622 7.5303 126.6643 52.0982 18.4964 173.9777 76 Y 4.9785 7.7715 121.1758 57.3748 42.1026 174.7869 77 G 3.8757 8.2823 114.4539 44.8263 0.0000 173.8490 78 E 3.8996 8.5985 118.2208 59.4573 28.0115 178.7145 79 E 3.9036 7.9587 118.5027 60.1961 29.3752 179.0682 80 M 4.2884 8.0162 116.7627 58.7236 32.2550 178.8517 81 T 3.8831 7.9447 113.0719 65.1803 67.5364 175.7337 82 A 4.0639 8.2017 122.9321 55.5302 18.3370 179.7096 83 T 3.8930 7.5124 108.2490 64.6592 68.7905 176.5080 84 C 4.0978 7.8179 120.8450 62.4396 31.8070 175.2983 85 L 4.1228 8.0260 120.3310 57.7724 41.2264 179.1279 86 R 3.7002 7.5897 118.1837 59.9205 29.7320 177.8319 87 D 4.2345 8.3819 118.5133 57.6424 40.8302 179.1155 88 L 4.2621 8.2081 119.5170 57.7055 41.6185 178.9499 89 D 4.4363 7.9653 117.6754 57.0713 41.3109 177.5558 90 Y 4.3551 7.9619 117.6081 61.6559 37.7104 178.5033 91 Y 4.2232 7.5857 115.7970 60.6584 38.1834 178.1214 92 L 4.1283 7.8565 121.1713 58.2044 42.1405 178.7960 93 R 3.6265 7.8730 118.6153 59.5608 29.8944 178.3805 94 L 3.6354 7.4913 117.6504 56.9362 41.5126 179.7166 95 V 3.4222 7.5848 119.1155 66.0677 31.4821 178.0769 96 T 3.7703 7.6664 108.9982 64.9145 68.3687 175.7495 97 Y 4.3973 7.5029 119.7737 61.0398 37.9014 178.3840 98 G 3.9507 8.1031 106.5296 48.8870 0.0000 175.3696 99 I 2.8633 7.0155 120.8696 64.0225 37.2160 178.2716 100 V 3.6843 7.5843 117.3304 66.1164 31.5851 177.5994 101 A 4.2205 8.2354 120.5552 52.7757 18.0129 179.0651 102 G 4.1135 8.3638 104.0771 45.6090 0.0000 172.1774 103 D 4.8918 7.7789 117.7688 52.4034 44.8118 175.6015 104 V 4.2459 7.9370 119.1276 62.9393 33.1830 177.2204 105 T 3.8573 7.4491 111.4225 65.0934 68.1969 173.8554 106 P 4.2154 0.0000 0.0000 65.6288 30.8041 178.1781 107 I 3.8061 7.9045 119.0570 64.3075 37.1801 177.7714 108 E 4.0842 8.3268 118.8032 60.0677 29.1275 179.3151 109 E 4.0454 8.3972 117.7754 59.4212 29.6241 179.2293 110 I 4.2145 7.8361 119.2231 63.2380 37.6382 177.3319 111 G 4.4269 8.5971 108.8356 44.6689 0.0000 173.4634 112 L 4.7663 8.0967 118.1832 55.1833 45.5129 178.3790 113 V 3.9340 7.5527 118.8036 60.8705 28.9349 175.6033 114 G 4.2124 8.3575 113.4406 45.2761 0.0000 173.9010 115 V 3.7543 8.3697 120.6627 65.8283 31.5297 177.2687 116 R 4.0212 8.0674 117.1922 59.4438 29.7829 178.5093 117 E 4.0005 8.2606 116.4325 59.7473 29.4837 178.8376 118 M 4.1451 8.0780 117.8192 59.0707 32.4379 177.9154 119 Y 4.1897 8.6035 117.2427 61.1330 38.1473 178.3869 120 N 4.4069 8.7804 117.9606 56.4591 38.4136 177.3458 121 S 4.1624 7.6626 112.2730 60.8367 62.5779 175.3069 122 L 4.4506 7.7663 119.1654 53.8581 41.7778 177.1051 123 G 3.9240 7.5960 106.4212 46.5072 0.0000 173.2347 124 T 4.4585 7.9028 113.5852 59.3850 68.6515 173.1230 125 P 4.3512 0.0000 0.0000 63.0891 32.4451 177.5023 126 I 3.5019 8.2997 124.1815 63.5764 37.3459 176.5329 127 P 4.4034 0.0000 0.0000 65.7337 30.6928 178.3409 128 A 4.0042 7.7963 119.5974 54.9209 18.7059 179.2546 129 V 3.6295 7.4291 116.7952 65.9945 31.5816 177.9969 130 A 3.9116 8.3647 120.9419 55.3709 18.1934 179.4554 131 E 4.1185 8.1887 116.3256 59.0188 29.5332 179.6578 132 G 3.6465 8.1294 106.1616 47.3961 0.0000 175.8082 133 I 4.0369 7.6235 121.4155 63.7330 37.1867 178.2128 134 R 3.8385 7.8697 118.0678 59.2344 30.2787 178.1980 135 A 4.0848 7.8965 120.3569 55.7185 18.2448 179.4128 136 M 3.8570 7.4935 116.0207 58.6448 32.0240 178.8367 137 K 2.4800 7.5226 119.2374 58.8514 31.9612 178.0469 138 N 4.3272 7.7363 116.2745 55.3575 38.6871 177.4841 139 V 3.4776 7.5047 117.9149 65.9445 32.0151 177.5125 140 A 4.1072 8.1478 120.8161 55.4657 18.3318 179.4255 141 C 4.1028 7.6981 115.4542 62.7315 27.8868 176.3704 142 S 4.2491 7.7264 114.5263 60.4313 62.7093 175.4173 143 L 4.4321 7.6719 120.7282 53.9099 41.9718 175.9117 144 L 4.7875 6.8299 118.8621 52.3279 44.7616 176.7471 145 S 4.4011 8.2579 115.2888 57.7362 64.9465 174.8011 146 A 3.9871 8.5196 123.9177 55.5595 18.1424 179.4137 147 E 4.1679 7.9980 115.7879 59.3647 30.1234 178.5914 148 D 4.5054 7.7980 117.7621 56.5856 40.8384 178.4610 149 A 4.3120 7.8848 120.8311 54.1602 18.9882 179.1997 150 A 3.8025 7.6172 118.3831 55.1135 18.8838 178.2551 *161 E 4.3921 7.9600 116.4205 56.3192 29.9558 177.7201 162 A 4.4168 7.7528 118.8674 54.9275 18.2320 179.8212 163 G 3.9097 8.3311 104.7742 48.3155 0.0000 175.4811 164 S 4.0864 8.0753 116.7912 62.2036 62.5844 176.4150 165 Y 4.0353 8.0849 118.5037 61.2391 37.4510 179.0147 166 F 4.2627 7.8543 117.1011 60.2672 39.2911 177.7233 167 D 4.4257 8.2846 118.6808 57.2705 40.3866 178.4568 168 F 4.0358 8.3948 120.6911 61.7652 39.4482 176.7466 169 V 3.6111 7.7261 118.2596 64.9396 31.2641 177.6411 170 I 3.5940 7.9414 112.5941 64.4726 37.1837 178.1902 171 G 3.5331 7.9806 105.4384 46.4620 0.0000 174.5592 172 A 4.3137 8.6362 123.0463 53.2683 19.1924 178.2767 173 M 4.2340 7.5535 115.2134 56.2583 31.9516 176.4211 174 Q 4.1991 7.5047 124.1883 55.9345 29.2216 175.3087 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 S 8.14 5.07 0.00 3.89 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 4 V 7.57 3.49 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 0.88 0.00 0.00 -0.39 0.00 0.00 5 V 7.59 3.48 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 0.95 0.00 0.00 0.90 0.00 0.00 6 T 7.49 3.79 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 1.18 0.00 0.00 7 K 7.67 4.03 0.00 1.91 1.77 0.00 1.79 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 8 S 8.14 4.14 0.00 3.95 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 9 I 7.52 3.59 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.91 0.86 0.00 0.00 10 V 7.16 3.54 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 0.81 0.00 0.00 0.93 0.00 0.00 11 N 7.79 4.42 0.00 3.02 2.84 0.00 0.00 7.02 6.93 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 12 A 8.48 3.97 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 13 D 8.56 4.29 0.00 2.81 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 14 A 7.56 4.04 1.34 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 0.00 0.00 0.00 15 E 8.07 4.35 0.00 1.95 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 2.22 2.27 0.00 16 A 7.45 3.76 1.28 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 0.00 0.00 0.00 17 R 7.81 4.76 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 18 Y 8.56 3.94 0.00 2.96 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 19 L 8.57 4.17 0.00 1.67 1.75 0.92 0.86 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 20 S 9.31 4.41 0.00 4.03 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 21 P 0.00 4.37 0.00 2.29 2.38 0.00 3.72 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 2.09 2.06 0.00 22 G 8.03 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 23 E 7.98 4.13 0.00 2.08 2.00 0.00 0.00 0.00 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 2.36 0.00 24 L 7.79 3.99 0.00 1.92 1.75 0.95 0.90 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 25 D 8.51 4.44 0.00 3.01 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 26 R 8.29 4.03 0.00 2.06 2.06 0.00 3.15 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 27 I 7.80 3.83 1.88 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 1.60 1.04 0.90 0.00 0.00 28 K 8.20 3.98 0.00 2.06 2.06 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.50 7.81 29 N 7.87 4.63 0.00 2.95 2.84 0.00 0.00 6.82 7.30 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 30 F 8.01 4.21 0.00 3.37 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 31 V 7.79 3.84 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 0.95 0.00 0.00 1.07 0.00 0.00 32 S 7.75 4.35 0.00 4.17 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 33 T 7.56 4.46 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 1.10 0.00 0.00 34 G 7.59 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 0.00 0.00 0.00 35 E 8.10 3.90 0.00 1.97 2.03 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 2.31 2.42 0.00 36 R 8.05 3.97 0.00 1.90 2.03 0.00 3.25 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 37 R 7.90 3.89 0.00 2.04 2.00 0.00 3.26 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 38 L 8.07 4.02 0.00 1.85 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.27 3.88 0.00 1.85 2.14 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 40 I 7.74 3.68 2.04 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 1.59 0.80 0.93 0.00 0.00 41 A 8.02 3.95 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 42 Q 8.21 3.89 0.00 2.14 2.36 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 2.38 2.43 0.00 43 T 8.12 4.00 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 1.26 0.00 0.00 44 L 7.96 4.05 0.00 1.91 1.76 1.10 0.68 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 45 T 8.05 4.13 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 1.38 0.00 0.00 46 E 7.74 4.43 0.00 1.93 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 2.29 2.64 0.00 47 N 7.78 4.94 0.00 2.73 2.79 0.00 0.00 6.88 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 48 R 7.87 3.92 0.00 2.03 2.35 0.00 2.80 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 49 E 8.11 4.01 0.00 1.96 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 2.32 2.36 0.00 50 R 7.87 4.03 0.00 1.85 1.96 0.00 3.16 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 51 I 7.86 3.65 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.98 0.92 0.00 0.00 52 V 7.60 3.52 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 0.99 0.00 0.00 1.07 0.00 0.00 53 K 8.04 3.88 0.00 1.98 1.82 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 54 Q 8.16 4.51 0.00 2.28 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.57 2.25 0.00 55 A 7.63 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.80 2.90 0.00 0.00 6.76 8.15 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 *75 A 7.53 4.46 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 76 Y 7.77 4.98 0.00 3.04 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 77 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 78 E 8.60 3.90 0.00 2.11 2.24 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 2.32 2.28 0.00 79 E 7.96 3.90 0.00 1.95 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 2.37 2.33 0.00 80 M 8.02 4.29 0.00 2.22 2.43 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.71 0.00 81 T 7.94 3.88 4.20 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 0.00 0.00 0.00 1.29 0.00 0.00 82 A 8.20 4.06 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 0.00 0.00 83 T 7.51 3.89 4.21 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 0.00 0.00 1.29 0.00 0.00 84 C 7.82 4.10 0.00 3.15 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 0.00 85 L 8.03 4.12 0.00 1.91 1.70 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.59 3.70 0.00 1.75 1.96 0.00 2.87 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.32 0.00 87 D 8.38 4.23 0.00 3.07 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 88 L 8.21 4.26 0.00 1.94 1.78 0.90 1.31 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 89 D 7.97 4.44 0.00 2.71 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 90 Y 7.96 4.36 0.00 2.98 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.73 1.11 0.00 0.00 108 E 8.33 4.08 0.00 2.26 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 2.67 2.57 0.00 109 E 8.40 4.05 0.00 1.95 2.03 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 2.37 2.51 0.00 110 I 7.84 4.21 2.03 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 1.47 0.67 0.89 0.00 0.00 111 G 8.60 4.43 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 0.00 112 L 8.10 4.77 0.00 1.79 1.75 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.55 3.93 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 0.76 0.00 0.00 1.04 0.00 0.00 114 G 8.36 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.37 3.75 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 I 7.62 4.04 1.83 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.61 1.04 0.00 0.00 134 R 7.87 3.84 0.00 2.00 1.96 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 135 A 7.90 4.08 1.27 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 0.00 0.00 136 M 7.49 3.86 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.58 0.00 137 K 7.52 2.48 0.00 1.15 1.76 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.28 7.81 138 N 7.74 4.33 0.00 2.85 2.76 0.00 0.00 6.47 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.50 3.48 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 0.81 0.00 0.00 0.89 0.00 0.00 140 A 8.15 4.11 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 0.00 141 C 7.70 4.10 0.00 2.92 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 0.00 142 S 7.73 4.25 0.00 3.98 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 0.00 143 L 7.67 4.43 0.00 1.75 1.74 0.92 0.79 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 0.00 144 L 6.83 4.79 0.00 1.65 1.57 1.01 0.89 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 0.00 145 S 8.26 4.40 0.00 4.05 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 0.00 146 A 8.52 3.99 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 0.00 147 E 8.00 4.17 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 148 D 7.80 4.51 0.00 2.70 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 0.00 149 A 7.88 4.31 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 0.00 150 A 7.62 3.80 1.34 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 0.00 0.00 0.00 *161 E 7.96 4.39 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 2.51 2.46 0.00 162 A 7.75 4.42 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 0.00 0.00 0.00 0.00 0.00 163 G 8.33 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 0.00 164 S 8.08 4.09 0.00 3.70 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 0.00 165 Y 8.08 4.04 0.00 2.97 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 0.00 166 F 7.85 4.26 0.00 3.36 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 0.00 167 D 8.28 4.43 0.00 2.93 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 0.00 168 F 8.39 4.04 0.00 2.92 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 0.00 169 V 7.73 3.61 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 0.68 0.00 0.00 1.02 0.00 0.00 170 I 7.94 3.59 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 1.67 0.48 1.02 0.00 0.00 171 G 7.98 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 0.00 172 A 8.64 4.31 1.12 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 0.00 0.00 173 M 7.55 4.23 0.00 1.86 2.10 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 174 Q 7.50 4.20 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.55 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.