NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.2676 8.2993 120.1297 55.7634 34.3319 176.2439 5 P 4.2587 0.0000 0.0000 62.2517 32.2906 174.5071 6 N 4.6565 8.9974 120.0116 52.7127 40.5087 175.5569 7 V 4.7598 8.4513 124.2437 62.3771 33.2920 174.7581 8 T 5.3251 9.4150 117.4200 60.1373 72.9249 172.8309 9 V 5.3482 8.9629 113.7103 60.1133 36.3483 174.7394 10 A 5.2074 9.0232 122.5458 50.7696 23.0678 174.9632 11 A 5.0257 8.3286 121.9415 50.0647 21.6328 176.2092 12 V 3.9698 9.0303 123.7296 61.7124 32.9802 175.0255 13 I 4.4949 8.3339 129.7831 59.6440 39.6318 174.3317 14 E 4.8177 8.7940 127.8191 54.0274 31.9216 175.0218 15 Q 4.2292 8.9549 126.7576 55.4985 31.8193 174.3887 16 D 4.0731 9.6147 127.0163 55.7413 38.3983 173.9269 17 D 4.5146 8.7789 113.3387 54.7041 39.4712 174.3684 18 K 5.0707 7.7325 118.3966 54.8313 35.8978 174.5851 19 Y 5.2654 9.2194 120.3465 56.0898 41.1834 174.8257 20 L 3.8199 8.2638 126.6540 54.5519 42.4338 175.7409 21 L 4.9232 8.8926 125.6379 52.9783 46.5269 175.7333 22 V 4.8717 8.6293 113.1042 59.7552 35.1294 174.8693 23 E 5.1504 9.0775 124.4276 55.1816 31.1825 175.1629 24 E 5.0715 9.4717 121.9324 54.8834 33.8970 174.6454 25 I 4.8933 8.5700 122.3128 58.2862 37.6251 173.8858 26 P 4.4087 0.0000 0.0000 64.9438 31.6853 177.0996 27 R 4.6147 7.8730 111.4915 55.6255 32.8043 177.6010 28 G 3.7651 8.3377 108.6622 47.4239 0.0000 176.2357 29 T 4.4727 8.5006 112.2856 60.5362 70.0532 173.7533 30 A 4.2008 7.8217 125.6037 51.8588 19.5382 176.6229 31 I 4.2934 8.3691 124.0118 61.0704 38.1587 175.6781 32 K 4.6848 9.3738 125.7103 54.4492 36.2439 174.7639 33 L 4.9159 8.1450 124.2864 54.0332 44.2061 174.5783 34 N 4.9478 8.4898 122.2897 52.2822 43.1561 173.6253 35 Q 4.3149 8.3729 121.3400 54.9656 30.6107 174.0541 36 P 4.7019 0.0000 0.0000 63.4550 32.1383 175.3713 37 A 4.7320 8.1899 124.6016 51.1877 22.9637 175.2677 38 G 4.0978 7.8547 105.0580 46.5287 0.0000 171.7670 39 H 5.0784 8.9145 116.9244 54.8489 29.6178 175.8079 40 L 4.0870 8.7382 125.2221 55.8424 42.3673 176.0987 41 E 4.8567 9.0766 125.1325 53.6768 32.1297 174.4066 42 P 4.2897 0.0000 0.0000 64.1594 31.9436 176.8885 43 G 4.0414 9.4826 108.4356 45.6520 0.0000 172.9601 44 E 4.6165 7.6361 115.3022 53.1482 32.8142 175.6874 45 S 3.4788 7.5254 115.1214 57.4265 65.3997 175.4497 46 I 3.5513 7.7226 122.8097 64.4820 36.8308 178.7345 47 I 2.9993 7.3998 120.1074 64.3718 36.8712 178.4237 48 Q 3.9397 7.8843 118.5518 58.5980 28.3487 178.5562 49 A 4.0697 8.0119 122.1235 55.1854 18.3827 179.1807 50 C 4.0194 7.9798 117.1037 62.8792 31.6932 176.0758 51 S 4.3405 8.0539 116.7403 61.4814 62.3383 176.6516 52 R 3.8947 8.3362 121.8207 59.5419 29.7005 178.4618 53 E 3.9587 8.4016 118.5895 59.2635 29.4294 179.4073 54 V 3.4762 7.6546 118.2922 65.8833 31.5275 177.8565 55 L 4.4090 7.8499 121.1786 57.9482 41.9315 178.8813 56 E 4.0080 8.7163 118.8216 58.8158 29.1262 178.5313 57 E 4.3103 8.1647 117.2784 56.9546 30.3163 176.7967 58 T 4.4593 7.7714 106.1487 60.0211 70.4372 175.1548 59 G 4.0106 8.5659 110.3387 46.0829 0.0000 172.1818 60 H 5.4763 8.1672 117.5199 54.0538 31.1783 174.5399 61 S 4.7431 8.8416 117.4305 57.9592 64.6722 172.6965 62 F 5.4361 8.8525 124.0131 56.5115 42.0576 174.5362 63 L 4.3334 8.4496 127.7354 52.3459 43.3163 173.5801 64 P 3.9219 0.0000 0.0000 62.6334 31.6798 175.6921 65 E 4.5969 9.4466 121.8396 57.6643 32.4504 176.4076 66 V 4.8703 7.6521 110.0830 59.6062 36.9302 173.9462 67 L 4.7107 9.2603 125.5586 55.0498 42.7278 177.1377 68 T 4.8864 8.8488 115.8795 61.9137 70.8277 174.6145 69 G 3.8803 7.0985 108.5854 45.8902 0.0000 171.9904 70 I 4.6391 7.6212 120.8840 59.2459 40.0458 174.5612 71 Y 4.5996 8.8449 125.0017 56.2935 40.6434 174.1941 72 H 5.7321 9.1737 124.4863 54.4711 31.8064 172.5755 73 W 5.4124 9.3462 122.3171 55.6848 32.3332 173.4893 74 T 4.7389 8.4607 116.6168 61.7093 70.5919 173.6859 75 C 4.5325 8.9317 127.5770 58.7052 31.7686 174.0932 76 A 4.1079 8.9529 130.9016 55.1551 18.3573 178.6082 77 S 4.2976 8.2267 109.9309 60.5250 63.2413 174.6073 78 N 4.7866 8.0720 114.7888 51.5386 37.6646 174.9606 79 G 3.8586 8.2130 106.0722 46.5223 0.0000 173.5335 80 T 4.2481 8.1779 117.5352 62.3370 70.3856 174.0160 81 T 4.4917 7.9340 122.5231 62.6347 70.5643 173.3698 82 Y 4.8689 8.4959 122.7432 55.8698 42.3216 174.6003 83 L 4.9364 9.0895 124.3582 53.5947 44.7954 175.1949 84 R 5.4598 9.4204 128.8635 54.1983 31.8488 174.9383 85 F 4.5943 9.6507 127.2066 57.0124 40.5306 175.0294 86 T 5.1921 8.7032 120.8888 61.7880 71.3232 173.4818 87 F 5.4442 9.3704 123.9229 55.8164 43.2049 174.0274 88 S 5.7401 8.3625 115.8006 56.5129 65.3314 173.5682 89 G 3.9825 8.3974 109.6641 46.3786 0.0000 172.1950 90 Q 4.8929 7.9020 118.2071 54.6389 31.2720 175.5697 91 V 4.9078 8.4508 114.6374 60.6777 32.8381 176.3721 92 V 4.6586 8.8294 116.3208 60.9969 33.5409 175.3792 93 S 4.8147 7.9057 114.0856 57.5048 66.2390 173.0847 94 F 5.4253 8.5658 122.2380 56.8947 42.7705 173.0358 95 D 4.3439 8.0782 124.9616 51.5396 43.4577 174.3961 96 P 4.0334 0.0000 0.0000 64.9238 31.4564 176.8271 97 D 4.5277 7.7639 117.6538 54.9834 41.3260 177.1225 98 R 3.8915 7.4267 118.9216 56.0712 30.4553 176.3410 99 K 4.1269 8.5165 124.1095 56.2774 32.9293 175.9358 100 L 4.8153 8.1818 125.6389 53.3609 43.5630 176.1922 101 D 4.5393 8.7975 121.9193 55.0800 42.1221 176.4689 102 T 4.0732 8.3935 118.5440 65.2140 68.7337 174.3625 103 G 4.0203 9.2700 113.4527 45.5920 0.0000 173.2852 104 I 4.2942 7.2845 120.8693 60.8512 37.5256 175.9283 105 V 3.9494 8.9284 127.3569 65.3038 31.7574 176.1512 106 R 4.6610 7.6430 113.5972 55.3559 32.2780 172.7934 107 A 5.2007 8.6236 121.7244 50.3818 21.3377 175.4849 108 A 4.4671 8.8738 122.5637 50.7012 23.7299 174.5775 109 W 5.1025 8.4251 118.7626 55.4248 30.6297 176.3641 110 F 5.2878 9.5311 123.7137 55.5436 42.1938 175.5307 111 S 4.9839 9.3944 117.5451 57.6057 64.1621 175.0424 112 I 3.7559 8.6108 120.7137 64.5121 37.5633 177.6299 113 D 4.3963 8.1607 119.1570 57.4989 40.4948 178.5280 114 E 4.0706 7.9071 117.7272 59.4041 29.7895 179.1671 115 I 3.7789 8.0177 119.8548 64.5370 37.3120 178.7067 116 R 3.8943 8.3815 119.0118 59.1582 29.6877 178.6847 117 A 4.2372 7.9910 118.7074 53.5526 18.4436 178.6005 118 K 4.3965 7.3155 115.7441 56.1625 32.5658 177.2965 119 Q 3.4145 7.5777 122.0642 58.9168 28.8682 179.5322 120 A 4.0489 7.6177 120.7099 52.1829 17.6836 176.5469 *122 H 4.6484 8.0227 115.3052 56.9678 30.0448 173.8931 123 R 3.9957 8.7662 124.6528 59.2597 30.3692 176.4205 124 T 4.6792 7.2352 105.2818 59.3273 71.7117 172.5406 125 P 4.2425 0.0000 0.0000 64.9005 31.5292 178.0890 126 L 3.5287 7.2745 118.2357 56.8263 41.6870 179.1293 127 V 4.0023 7.1707 114.7586 63.7937 31.3308 176.8949 *129 Q 4.2801 8.0835 120.5315 56.4936 30.7120 176.8297 130 C 3.9874 7.9613 115.8168 62.8491 27.9348 176.2993 131 I 3.6511 7.1261 120.7909 64.2132 36.5413 178.2007 132 E 3.9897 8.0664 118.9496 59.6901 29.3869 179.0950 133 D 4.4071 8.3988 118.9274 57.4443 40.8872 178.1774 134 Y 4.1181 8.1549 120.1030 61.1359 38.6403 177.7265 135 H 4.0579 8.6787 118.0541 58.9093 30.0469 176.3308 136 A 4.3021 7.9982 119.9241 52.3857 18.0918 177.8909 137 G 3.5836 7.6044 105.8968 45.4470 0.0000 174.0689 138 K 3.9502 7.6219 119.2124 55.9095 32.1618 177.0827 139 R 4.6131 7.5219 123.8159 54.6617 33.7061 174.4802 140 Y 4.9747 9.2795 121.1885 55.2332 42.6525 173.6607 141 P 4.7248 0.0000 0.0000 62.4106 32.4022 177.8195 142 L 4.2354 8.7696 122.1704 58.0038 41.7346 178.4353 143 D 4.6699 8.0777 115.0182 53.6313 39.5756 176.8779 144 I 3.8353 7.6661 122.0342 64.3896 37.2912 176.4680 145 L 4.4824 7.8587 119.7385 53.5124 42.4467 175.7760 146 Q 4.4614 8.6722 123.8042 54.3674 30.9156 173.5972 147 Y 4.8045 8.4254 126.2560 56.0350 40.5077 174.1007 148 Y 4.2967 7.9047 123.7313 56.0827 39.8876 175.4626 149 D 3.9383 8.3148 124.5254 54.1286 40.1721 177.3057 150 G 3.9203 8.2226 107.9569 45.5144 0.0000 173.5674 151 S 4.2779 7.8832 120.7310 58.7667 62.8000 174.3375 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 4 K 8.30 4.27 0.00 1.72 1.90 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.36 7.81 5 P 0.00 4.26 0.00 2.07 1.95 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 6 N 9.00 4.66 0.00 2.31 2.77 0.00 0.00 6.78 7.60 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 7 V 8.45 4.76 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 1.25 0.00 0.00 1.06 0.00 0.00 8 T 9.42 5.33 4.41 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 1.22 0.00 0.00 9 V 8.96 5.35 2.31 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 0.97 0.00 0.00 1.03 0.00 0.00 10 A 9.02 5.21 1.20 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 0.00 0.00 0.00 11 A 8.33 5.03 0.64 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 0.00 0.00 12 V 9.03 3.97 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 0.47 0.00 0.00 0.87 0.00 0.00 13 I 8.33 4.49 1.73 0.00 0.00 0.58 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 0.49 1.08 0.00 0.00 14 E 8.79 4.82 0.00 1.52 1.79 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 1.81 1.80 0.00 15 Q 8.95 4.23 0.00 2.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.02 0.00 0.00 0.00 0.00 0.00 1.95 2.18 0.00 16 D 9.61 4.07 0.00 2.67 2.60 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 17 D 8.78 4.51 0.00 2.83 2.84 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 18 K 7.73 5.07 0.00 1.89 1.93 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.36 7.81 19 Y 9.22 5.27 0.00 2.89 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 20 L 8.26 3.82 0.00 0.27 0.93 -0.13 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.89 4.92 0.00 1.50 1.42 0.53 0.54 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 22 V 8.63 4.87 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 0.77 0.00 0.00 0.92 0.00 0.00 23 E 9.08 5.15 0.00 1.95 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 2.26 2.36 0.00 24 E 9.47 5.07 0.00 1.99 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 2.25 0.00 25 I 8.57 4.89 1.87 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 1.24 1.09 0.98 0.00 0.00 26 P 0.00 4.41 0.00 2.05 2.11 0.00 3.71 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 2.02 2.05 0.00 27 R 7.87 4.61 0.00 1.88 1.86 0.00 3.20 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 28 G 8.34 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 29 T 8.50 4.47 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 30 A 7.82 4.20 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 31 I 8.37 4.29 1.87 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 1.35 0.58 0.91 0.00 0.00 32 K 9.37 4.68 0.00 1.53 1.60 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.47 7.81 33 L 8.15 4.92 0.00 1.58 1.32 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.49 4.95 0.00 2.81 2.48 0.00 0.00 7.07 6.43 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 35 Q 8.37 4.31 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 36 P 0.00 4.70 0.00 1.87 1.86 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 37 A 8.19 4.73 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 38 G 7.85 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 39 H 8.91 5.08 0.00 3.05 3.32 0.00 5.91 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 40 L 8.74 4.09 0.00 1.65 1.69 0.92 1.13 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 41 E 9.08 4.86 0.00 1.98 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 2.27 2.44 0.00 42 P 0.00 4.29 0.00 2.06 2.01 0.00 3.73 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 2.04 2.11 0.00 43 G 9.48 4.04 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 0.00 0.00 0.00 44 E 7.64 4.62 0.00 1.90 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 2.35 2.17 0.00 45 S 7.53 3.48 0.00 3.49 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 46 I 7.72 3.55 1.66 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.43 0.80 0.00 0.00 47 I 7.40 3.00 1.66 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 1.03 0.43 0.65 0.00 0.00 48 Q 7.88 3.94 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 49 A 8.01 4.07 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 50 C 7.98 4.02 0.00 3.00 2.93 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 51 S 8.05 4.34 0.00 4.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 R 8.34 3.89 0.00 1.89 2.09 0.00 3.22 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 53 E 8.40 3.96 0.00 2.11 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 2.50 2.53 0.00 54 V 7.65 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 1.01 0.00 0.00 0.33 0.00 0.00 55 L 7.85 4.41 0.00 1.87 1.82 0.97 0.67 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 56 E 8.72 4.01 0.00 2.02 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 2.34 2.54 0.00 57 E 8.16 4.31 0.00 2.00 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 2.40 2.53 0.00 58 T 7.77 4.46 4.22 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 0.00 0.00 0.00 1.13 0.00 0.00 59 G 8.57 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 60 H 8.17 5.48 0.00 3.24 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.84 4.74 0.00 3.99 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 62 F 8.85 5.44 0.00 2.88 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 63 L 8.45 4.33 0.00 1.60 1.31 0.85 0.88 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 64 P 0.00 3.92 0.00 1.81 1.88 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.10 0.00 65 E 9.45 4.60 0.00 2.03 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 2.16 2.33 0.00 66 V 7.65 4.87 2.30 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 0.79 0.00 0.00 1.10 0.00 0.00 67 L 9.26 4.71 0.00 1.90 1.83 0.43 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.85 4.89 4.45 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 1.48 0.00 0.00 69 G 7.10 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 70 I 7.62 4.64 1.43 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.34 0.11 0.00 0.00 71 Y 8.84 4.60 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 72 H 9.17 5.73 0.00 3.12 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 W 9.35 5.41 0.00 3.54 3.32 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 0.00 0.00 0.00 0.00 74 T 8.46 4.74 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 1.20 0.00 0.00 75 C 8.93 4.53 0.00 3.28 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 76 A 8.95 4.11 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 77 S 8.23 4.30 0.00 4.02 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 78 N 8.07 4.79 0.00 2.82 2.96 0.00 0.00 6.00 7.00 0.00 0.00 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 G 8.21 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 0.00 0.00 0.00 80 T 8.18 4.25 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 0.48 0.00 0.00 81 T 7.93 4.49 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 1.19 0.00 0.00 82 Y 8.50 4.87 0.00 1.43 2.30 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 83 L 9.09 4.94 0.00 1.70 1.64 0.78 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.42 5.46 0.00 2.39 2.20 0.00 3.02 0.00 0.00 3.17 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 85 F 9.65 4.59 0.00 3.14 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 86 T 8.70 5.19 4.50 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 1.32 0.00 0.00 87 F 9.37 5.44 0.00 3.19 3.26 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 88 S 8.36 5.74 0.00 4.06 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 89 G 8.40 3.98 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 0.00 0.00 0.00 90 Q 7.90 4.89 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 91 V 8.45 4.91 2.33 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 0.88 0.00 0.00 1.26 0.00 0.00 92 V 8.83 4.66 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 0.72 0.00 0.00 1.03 0.00 0.00 93 S 7.91 4.81 0.00 3.90 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 94 F 8.57 5.43 0.00 2.83 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 95 D 8.08 4.34 0.00 2.56 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 0.00 0.00 0.00 0.00 96 P 0.00 4.03 0.00 2.14 2.13 0.00 3.47 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.89 0.00 97 D 7.76 4.53 0.00 2.64 2.71 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 98 R 7.43 3.89 0.00 1.89 1.87 0.00 3.33 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.49 0.00 99 K 8.52 4.13 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.52 7.81 100 L 8.18 4.82 0.00 1.59 1.59 1.01 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.80 4.54 0.00 2.59 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 0.00 102 T 8.39 4.07 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 1.22 0.00 0.00 103 G 9.27 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.28 4.29 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 1.30 0.86 0.97 0.00 0.00 105 V 8.93 3.95 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 0.77 0.00 0.00 0.94 0.00 0.00 106 R 7.64 4.66 0.00 1.90 1.98 0.00 3.01 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 107 A 8.62 5.20 1.16 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 0.00 0.00 108 A 8.87 4.47 0.95 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 0.00 109 W 8.43 5.10 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 0.00 110 F 9.53 5.29 0.00 2.95 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 0.00 111 S 9.39 4.98 0.00 4.10 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 0.00 112 I 8.61 3.76 2.04 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 1.66 1.46 0.98 0.00 0.00 113 D 8.16 4.40 0.00 2.85 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 0.00 114 E 7.91 4.07 0.00 2.28 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 0.00 2.45 2.45 0.00 115 I 8.02 3.78 1.98 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 1.34 0.86 0.75 0.00 0.00 116 R 8.38 3.89 0.00 1.95 1.96 0.00 3.12 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 117 A 7.99 4.24 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 0.00 118 K 7.32 4.40 0.00 1.92 1.76 0.00 1.74 0.00 0.00 1.55 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.43 7.81 119 Q 7.58 3.41 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.64 0.00 0.00 0.00 0.00 0.00 2.24 2.11 0.00 120 A 7.62 4.05 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 *122 H 8.02 4.65 0.00 3.14 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 R 8.77 4.00 0.00 1.65 1.87 0.00 3.27 0.00 0.00 3.50 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 124 T 7.24 4.68 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 1.26 0.00 0.00 125 P 0.00 4.24 0.00 1.82 2.02 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 126 L 7.27 3.53 0.00 1.13 0.95 -0.97 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.17 4.00 1.80 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 0.86 0.00 0.00 0.84 0.00 0.00 *129 Q 8.08 4.28 0.00 2.06 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.58 0.00 130 C 7.96 3.99 0.00 2.75 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 0.00 131 I 7.13 3.65 1.61 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.30 0.45 0.00 0.00 132 E 8.07 3.99 0.00 2.14 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 0.00 2.37 2.35 0.00 133 D 8.40 4.41 0.00 2.86 2.87 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 0.00 0.00 0.00 134 Y 8.15 4.12 0.00 3.23 3.32 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 0.00 0.00 0.00 0.00 135 H 8.68 4.06 0.00 3.39 3.53 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.00 4.30 1.37 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 0.00 0.00 137 G 7.60 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.62 3.95 0.00 1.84 1.94 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.67 7.81 139 R 7.52 4.61 0.00 1.45 1.71 0.00 3.34 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 140 Y 9.28 4.97 0.00 2.94 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 0.00 141 P 0.00 4.72 0.00 2.36 2.03 0.00 3.78 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 142 L 8.77 4.24 0.00 1.78 1.82 0.98 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.08 4.67 0.00 2.81 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 0.00 144 I 7.67 3.84 2.05 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 1.35 0.69 0.97 0.00 0.00 145 L 7.86 4.48 0.00 1.94 1.66 1.17 0.85 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 0.00 146 Q 8.67 4.46 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.06 1.80 0.00 147 Y 8.43 4.80 0.00 2.82 2.79 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 0.00 148 Y 7.90 4.30 0.00 2.76 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 0.00 149 D 8.31 3.94 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.22 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 0.00 151 S 7.88 4.28 0.00 3.91 3.81 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 * Residues marked with a * may have inaccurate shift predictions.