NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4168 8.2893 120.3497 55.4341 34.2274 175.9529 1 S 4.1984 7.8327 112.0395 57.3679 63.9574 172.0691 2 K 4.5756 8.2090 121.0554 56.5358 34.2632 177.2480 3 T 5.4193 8.4168 112.0848 60.2302 72.5966 172.6150 4 I 4.4362 8.5814 121.8202 59.1486 41.2313 173.9054 5 V 4.6542 8.4318 129.0559 61.3469 32.8958 174.4892 6 L 4.8213 9.0208 128.9024 53.1335 44.0289 175.6684 7 S 5.0251 8.5369 116.7656 56.5996 65.4732 173.9153 8 V 4.1431 8.5070 124.6662 61.4460 32.5068 176.9868 9 G 3.9097 8.2447 120.0942 46.8086 0.0000 173.0397 10 E 4.0802 9.2521 121.8317 58.4217 30.0320 177.1123 11 A 4.1868 7.8529 121.3778 52.2034 19.1378 175.9311 12 T 5.1694 8.1979 110.6454 59.9096 72.2922 173.6154 13 R 4.5744 9.3994 122.0791 54.9233 33.4730 174.3752 14 T 4.7594 8.5655 121.0772 62.0209 70.7018 173.4725 15 L 5.0876 8.8528 127.5210 53.4935 43.9793 175.7362 16 T 5.1086 8.8043 121.1673 61.6055 71.1037 173.7668 17 E 4.0345 9.1104 127.8114 56.1074 30.1524 175.9204 18 I 4.5156 8.0944 120.2153 58.4954 40.7227 175.0133 19 Q 4.0681 8.4481 123.3177 56.2362 29.3841 174.8063 20 S 4.5631 7.9342 116.8642 56.9770 65.7590 173.0920 21 T 4.1791 8.1782 110.2032 60.9093 69.3827 175.2682 22 A 4.0427 8.4128 124.5397 55.0533 18.3974 178.2566 23 D 4.6872 8.0232 112.9105 54.2027 40.0427 175.9141 24 R 4.8694 7.4669 114.4056 55.5042 32.7079 174.3548 25 Q 4.6368 9.2258 119.8917 54.6972 31.4222 174.7846 26 I 5.0670 7.9018 121.8133 59.6189 41.2727 174.2497 27 F 5.3433 9.7062 125.1605 55.7467 42.5870 173.9730 28 E 5.0982 9.3639 122.7749 54.4094 33.5188 173.8724 29 E 4.5636 8.9647 127.9776 55.3297 29.7077 177.5660 30 K 4.4049 8.3093 130.6538 54.9688 30.7980 176.7862 31 V 4.4552 7.0328 112.2433 60.5648 36.5577 177.7199 32 G 3.8051 8.6276 109.5806 44.3496 0.0000 171.4646 33 P 4.5085 0.0000 0.0000 62.2406 32.0874 177.3617 34 L 3.8912 8.3976 118.7383 56.9747 41.7373 177.9875 35 V 4.1645 7.2834 112.4719 60.8109 33.0383 176.4340 36 G 4.0730 8.7759 109.8588 46.3517 0.0000 174.1233 37 R 4.0551 7.2307 118.2714 55.3794 30.7277 176.4361 38 L 4.3364 8.3906 123.8219 55.3276 43.5832 175.5147 39 R 5.0666 8.6949 125.8064 54.4711 33.8947 173.2057 40 L 5.2626 9.4566 128.3027 53.7002 44.8162 174.7755 41 T 5.1864 8.8865 123.1121 61.8540 70.9142 173.3732 42 A 5.5284 9.1008 128.3071 50.2705 22.3995 175.0637 43 S 4.9324 9.1655 114.6622 56.7750 67.2948 172.8077 44 L 5.2541 8.4911 122.1069 53.6814 44.4812 175.5943 45 R 4.8761 9.1754 124.7155 54.4152 34.3680 174.1506 46 Q 4.9544 8.5248 122.4122 54.0165 31.7203 174.8509 47 N 4.5400 8.6557 123.4882 52.3223 38.7041 176.2334 48 G 3.5651 8.8065 107.5435 48.8347 0.0000 174.7325 49 A 4.0950 7.9090 119.7887 51.9206 18.6518 177.0857 50 K 3.7102 7.5243 114.2061 57.5225 30.3926 176.0165 51 T 4.4983 7.9285 108.4646 62.0740 70.7215 173.7218 52 A 5.0579 7.7770 122.7293 50.8918 23.0831 174.3166 53 Y 5.1995 9.5816 117.3471 56.2688 41.8690 175.1927 54 R 5.0484 9.2724 121.4233 54.5872 32.9667 175.0613 55 V 4.6295 8.9419 125.3810 61.8295 33.2680 174.1784 56 N 5.6238 9.0038 125.3118 51.5265 41.3080 173.6610 57 L 5.2935 8.7885 122.7808 52.8884 46.1439 175.8665 58 K 4.7217 8.9885 123.8677 55.0657 35.5397 174.5368 59 L 4.9983 8.9668 131.3581 54.1423 43.5226 174.7605 60 D 5.3776 8.9399 127.0976 52.7778 43.1114 175.2624 61 Q 4.7295 9.4356 125.6320 54.2384 31.2310 174.0013 62 A 4.7638 8.5546 128.7374 51.0961 20.5466 175.8604 63 D 4.3589 8.5961 122.5793 53.1132 42.1779 175.1589 64 V 4.6619 8.1650 126.4319 61.3870 33.5091 175.0967 65 V 4.2813 8.4824 121.0134 59.7511 34.1248 174.4998 66 D 4.8388 8.8432 125.6527 52.2192 41.3196 175.2003 67 S 4.6479 8.7429 122.7358 54.2458 62.5837 171.1474 68 G 3.5802 7.3716 113.3526 44.9944 0.0000 171.6165 *75 L 4.6769 7.8817 119.9630 52.8939 43.5677 175.2374 76 P 4.6470 0.0000 0.0000 62.9227 32.2969 175.5266 77 K 4.5746 8.6416 122.9952 54.4023 35.8423 175.1914 78 V 4.0328 8.4500 127.4098 63.2979 31.3636 175.7966 79 R 4.3148 9.1609 128.9367 59.2518 30.5639 176.3980 80 Y 4.9100 7.0782 114.1429 56.5085 41.2522 173.2994 81 T 5.1885 8.6581 116.0249 62.0133 72.0088 173.4938 82 Q 4.9217 9.2453 124.1350 54.3789 32.8048 174.7422 83 V 5.0054 8.1642 119.6600 61.4461 35.1266 173.6284 84 W 4.8761 9.3946 135.0000 55.8143 33.0585 173.9023 85 S 5.5457 8.8865 121.6236 56.9510 65.4560 173.0580 86 H 5.0990 9.7649 118.9267 54.1706 32.2807 172.6324 87 D 4.8587 8.7902 120.7397 52.8253 43.7687 174.3809 88 V 4.4287 9.0185 127.3507 61.4287 33.9687 174.2538 89 T 5.0266 8.6358 124.7599 62.1828 70.0330 173.9724 90 I 4.5465 8.7112 128.1288 59.2125 40.0679 175.3235 91 V 4.1683 8.4919 127.4804 62.5205 32.0985 176.7649 92 A 4.2698 9.1133 132.0818 55.0604 18.4111 177.9224 93 N 4.8678 8.0162 110.6800 52.5834 37.6504 175.2759 94 S 4.4124 7.5494 113.8431 58.3786 63.5458 174.5421 95 T 4.1642 8.1341 111.8027 61.3962 70.6770 175.1374 96 E 3.9141 8.7551 123.0298 59.5535 29.6912 179.0779 97 A 4.0208 8.0295 120.5766 55.0721 18.4910 179.6124 98 S 4.1159 7.7587 111.9932 61.5958 63.2435 176.9787 99 R 3.9476 7.7330 121.0740 58.8761 29.7495 178.9504 100 K 4.0410 8.4629 119.8568 59.4490 32.1648 178.8670 101 S 4.0936 8.2872 113.7182 61.0680 62.3158 175.8475 102 L 3.9347 7.9066 122.9428 58.3376 41.8120 177.9254 103 Y 4.0622 7.9738 119.3811 61.1751 38.8011 177.8975 104 D 4.2220 8.4396 119.4836 57.5586 40.8853 179.1099 105 L 4.0286 8.0568 119.2644 57.9235 41.5420 179.6728 106 T 3.8394 7.9724 115.8829 66.1865 68.4685 176.6036 107 K 3.6253 7.8597 121.9471 59.5787 31.9124 178.7668 108 S 4.0388 7.5075 111.4181 61.0789 62.6237 175.5142 109 L 4.0791 8.0766 123.2281 58.3309 41.6957 179.1797 110 V 3.6385 7.8768 117.1810 65.8433 31.5317 176.8362 111 A 4.1730 7.6990 120.6201 53.7054 18.7530 178.3600 112 T 4.1336 7.6183 108.0965 61.4305 70.8797 175.7991 113 S 4.2398 8.6009 117.8834 61.3343 63.1965 176.6714 114 Q 3.9895 8.0578 121.7932 59.0386 28.5023 178.7238 115 V 3.6695 7.8118 119.0199 65.6094 31.5156 177.4433 116 E 3.9750 8.1648 119.1679 59.7826 29.4730 178.7296 117 D 4.4502 8.2477 118.5407 57.2479 40.6611 178.6998 118 L 4.2360 7.7771 121.9339 57.3582 41.8608 179.1722 119 V 3.5337 7.6021 117.4143 65.7786 31.6430 177.9566 120 V 3.8472 8.0833 117.1931 65.1377 31.6132 176.2981 121 N 4.8479 7.8010 111.7716 51.9430 39.5842 174.1141 122 L 3.8375 7.6853 116.0631 54.5089 38.9619 174.7026 123 V 4.0650 7.5080 117.6637 60.6695 32.3782 173.3090 124 P 4.2891 0.0000 0.0000 62.6250 31.7604 176.1222 125 L 4.1894 8.0793 120.6807 54.8142 42.3513 177.1608 126 G 3.8904 10.0452 109.0190 46.6314 0.0000 174.1866 127 R 4.1971 8.2401 122.6843 56.3003 30.9287 175.4244 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 M 8.29 4.42 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 S 7.83 4.20 0.00 4.09 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.21 4.58 0.00 1.93 1.90 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.42 7.81 3 T 8.42 5.42 4.38 0.00 0.00 0.00 0.00 0.00 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 4 I 8.58 4.44 1.44 0.00 0.00 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 0.95 1.57 0.41 0.00 0.00 5 V 8.43 4.65 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 0.85 0.00 0.00 0.91 0.00 0.00 6 L 9.02 4.82 0.00 1.54 1.49 0.86 0.50 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 7 S 8.54 5.03 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 8 V 8.51 4.14 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 0.79 0.00 0.00 0.91 0.00 0.00 9 G 8.24 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 10 E 9.25 4.08 0.00 1.97 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 2.30 2.24 0.00 11 A 7.85 4.19 1.25 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 0.00 0.00 12 T 8.20 5.17 4.23 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 1.20 0.00 0.00 13 R 9.40 4.57 0.00 1.62 1.82 0.00 3.26 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 14 T 8.57 4.76 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 1.23 0.00 0.00 15 L 8.85 5.09 0.00 1.63 1.70 0.96 0.82 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 16 T 8.80 5.11 4.28 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 1.23 0.00 0.00 17 E 9.11 4.03 0.00 1.62 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 1.95 1.47 0.00 18 I 8.09 4.52 1.83 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 1.22 0.79 0.95 0.00 0.00 19 Q 8.45 4.07 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 20 S 7.93 4.56 0.00 3.93 3.75 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 21 T 8.18 4.18 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 22 A 8.41 4.04 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 23 D 8.02 4.69 0.00 2.82 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 24 R 7.47 4.87 0.00 1.96 1.91 0.00 3.06 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 25 Q 9.23 4.64 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 26 I 7.90 5.07 1.81 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 1.36 0.81 0.93 0.00 0.00 27 F 9.71 5.34 0.00 2.91 2.92 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 28 E 9.36 5.10 0.00 1.97 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 2.22 2.27 0.00 29 E 8.96 4.56 0.00 2.03 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 2.33 2.34 0.00 30 K 8.31 4.40 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.65 7.81 31 V 7.03 4.46 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 0.72 0.00 0.00 0.98 0.00 0.00 32 G 8.63 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 0.00 0.00 0.00 33 P 0.00 4.51 0.00 2.22 2.19 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 34 L 8.40 3.89 0.00 1.65 1.78 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.28 4.16 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 0.78 0.00 0.00 0.92 0.00 0.00 36 G 8.78 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 R 7.23 4.06 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.65 0.00 38 L 8.39 4.34 0.00 1.78 1.55 1.00 0.76 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 39 R 8.69 5.07 0.00 1.86 1.73 0.00 3.12 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 40 L 9.46 5.26 0.00 1.75 1.58 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.89 5.19 4.30 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 1.30 0.00 0.00 42 A 9.10 5.53 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 43 S 9.17 4.93 0.00 4.08 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 44 L 8.49 5.25 0.00 1.62 1.58 0.97 0.78 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 45 R 9.18 4.88 0.00 1.81 1.78 0.00 3.15 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 46 Q 8.52 4.95 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.03 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 47 N 8.66 4.54 0.00 2.78 2.91 0.00 0.00 6.76 6.41 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 48 G 8.81 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.91 4.10 1.25 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 0.00 0.00 50 K 7.52 3.71 0.00 1.86 1.79 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.30 7.81 51 T 7.93 4.50 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 1.24 0.00 0.00 52 A 7.78 5.06 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 53 Y 9.58 5.20 0.00 2.81 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 54 R 9.27 5.05 0.00 1.70 1.87 0.00 3.32 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 55 V 8.94 4.63 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 1.06 0.00 0.00 0.95 0.00 0.00 56 N 9.00 5.62 0.00 2.80 2.74 0.00 0.00 6.36 6.03 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 57 L 8.79 5.29 0.00 1.68 1.56 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.99 4.72 0.00 1.86 1.69 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.44 7.81 59 L 8.97 5.00 0.00 1.87 1.63 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.94 5.38 0.00 2.68 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 61 Q 9.44 4.73 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 62 A 8.55 4.76 1.25 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 0.00 0.00 63 D 8.60 4.36 0.00 1.71 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 64 V 8.17 4.66 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 0.83 0.00 0.00 0.88 0.00 0.00 65 V 8.48 4.28 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 0.79 0.00 0.00 0.97 0.00 0.00 66 D 8.84 4.84 0.00 2.56 2.54 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 67 S 8.74 4.65 0.00 3.86 3.78 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 68 G 7.37 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 *75 L 7.88 4.68 0.00 1.67 1.65 0.92 1.14 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 76 P 0.00 4.65 0.00 2.06 2.04 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 77 K 8.64 4.57 0.00 1.83 1.62 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.35 7.81 78 V 8.45 4.03 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 0.80 0.00 0.00 0.90 0.00 0.00 79 R 9.16 4.31 0.00 1.56 2.09 0.00 3.35 0.00 0.00 3.31 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 80 Y 7.08 4.91 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.66 5.19 4.30 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 1.25 0.00 0.00 82 Q 9.25 4.92 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 83 V 8.16 5.01 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 0.87 0.00 0.00 1.01 0.00 0.00 84 W 9.39 4.88 0.00 3.52 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 85 S 8.89 5.55 0.00 4.03 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 86 H 9.76 5.10 0.00 3.07 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.79 4.86 0.00 2.65 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 88 V 9.02 4.43 2.14 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 1.04 0.00 0.00 1.00 0.00 0.00 89 T 8.64 5.03 4.28 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 1.25 0.00 0.00 90 I 8.71 4.55 2.00 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 1.15 1.12 0.98 0.00 0.00 91 V 8.49 4.17 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 1.09 0.00 0.00 0.96 0.00 0.00 92 A 9.11 4.27 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 93 N 8.02 4.87 0.00 2.85 2.93 0.00 0.00 6.04 7.64 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 94 S 7.55 4.41 0.00 3.97 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 95 T 8.13 4.16 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 1.22 0.00 0.00 96 E 8.76 3.91 0.00 2.05 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 2.36 2.36 0.00 97 A 8.03 4.02 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 98 S 7.76 4.12 0.00 4.20 4.14 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 99 R 7.73 3.95 0.00 2.08 2.03 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 100 K 8.46 4.04 0.00 1.85 2.06 0.00 1.87 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.54 7.81 101 S 8.29 4.09 0.00 4.06 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 0.00 102 L 7.91 3.93 0.00 2.00 1.88 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.97 4.06 0.00 3.16 3.17 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 0.00 104 D 8.44 4.22 0.00 2.93 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 0.00 105 L 8.06 4.03 0.00 1.68 1.69 0.95 0.57 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 0.00 106 T 7.97 3.84 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 1.21 0.00 0.00 107 K 7.86 3.63 0.00 1.15 1.63 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.26 7.81 108 S 7.51 4.04 0.00 3.88 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 0.00 109 L 8.08 4.08 0.00 1.90 1.87 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.88 3.64 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 0.61 0.00 0.00 1.04 0.00 0.00 111 A 7.70 4.17 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 0.00 112 T 7.62 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 1.29 0.00 0.00 113 S 8.60 4.24 0.00 4.08 4.17 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 0.00 114 Q 8.06 3.99 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 115 V 7.81 3.67 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 1.22 0.00 0.00 1.04 0.00 0.00 116 E 8.16 3.97 0.00 2.15 2.15 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 2.35 2.42 0.00 117 D 8.25 4.45 0.00 2.94 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 0.00 118 L 7.78 4.24 0.00 1.85 1.82 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.60 3.53 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 0.93 0.00 0.00 0.77 0.00 0.00 120 V 8.08 3.85 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 0.91 0.00 0.00 1.02 0.00 0.00 121 N 7.80 4.85 0.00 2.87 2.78 0.00 0.00 7.17 7.99 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 0.00 122 L 7.69 3.84 0.00 1.74 1.70 0.88 0.96 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 0.00 123 V 7.51 4.06 2.18 0.00 0.00 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 0.98 0.00 0.00 124 P 0.00 4.29 0.00 2.07 1.97 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 125 L 8.08 4.19 0.00 1.63 1.71 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 126 G 10.05 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.24 4.20 0.00 1.76 1.78 0.00 3.41 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 * Residues marked with a * may have inaccurate shift predictions.