NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4674 8.3349 115.4136 57.9745 64.5529 172.4342 2 K 4.7267 8.2618 119.8648 53.1482 35.1296 173.9070 3 T 5.3733 8.8170 113.7237 60.0462 72.8951 172.4072 4 I 4.4461 8.5289 122.5675 59.1290 41.1453 174.0544 5 V 4.8000 8.3574 128.2517 61.1028 33.6096 174.3581 6 L 4.7896 8.9168 127.7943 53.0145 44.6475 175.5142 7 S 5.0753 8.6241 118.5466 56.8118 65.3998 173.8605 8 V 4.1483 8.3998 125.5654 61.4834 33.0856 175.0988 9 G 3.8204 8.3511 119.0773 47.1145 0.0000 174.3873 10 E 4.0973 8.8595 122.4003 57.2997 30.1739 176.5814 11 A 4.4746 7.8257 123.0221 51.5321 19.8080 176.1411 12 T 5.1687 8.0821 108.8501 59.9395 72.3577 173.3439 13 R 4.6305 9.1126 121.8028 54.7860 33.3525 174.5571 14 T 4.8612 8.5346 120.4104 61.9291 70.8868 173.1947 15 L 4.9124 8.7075 127.7181 53.8526 43.5462 175.9979 16 T 5.1661 9.2016 120.9829 61.4151 71.6482 173.2891 17 E 3.8948 8.9707 127.8569 56.2493 29.5746 176.3468 18 I 4.3785 8.2905 120.0633 60.9772 39.3314 175.2577 19 Q 4.7155 7.5540 122.5800 55.4895 32.2122 172.6407 20 S 5.1829 8.4337 118.1991 57.6433 66.0203 173.4700 21 T 4.7867 8.5636 112.3994 59.8871 71.1847 173.2341 22 A 4.1447 8.7028 122.8575 55.3011 18.6960 178.0605 23 D 4.9899 8.1245 112.4051 52.8148 41.7622 175.3315 24 R 5.2916 7.8841 118.6703 55.2526 34.0666 173.4971 25 Q 4.9561 9.3238 121.6449 54.6093 32.7579 173.5933 26 I 4.9710 8.4034 121.3117 59.7002 40.5441 174.3240 27 F 5.2104 9.6608 126.1061 55.7753 41.5280 174.7205 28 E 5.2062 9.1199 121.6957 54.3317 33.8821 175.1125 29 E 4.5356 8.7049 123.2869 54.7412 29.4839 177.3759 30 K 4.3768 8.2932 130.4530 54.6765 30.8199 176.4277 31 V 4.3501 7.0881 118.4439 62.0076 35.4114 176.4407 32 G 3.8433 8.6859 114.6581 44.2078 0.0000 171.2858 33 P 4.4334 0.0000 0.0000 62.2612 32.3745 176.1682 34 L 3.9092 8.4980 121.5043 57.8888 42.2162 176.5599 35 V 3.3890 7.7458 117.9190 64.4723 31.1453 175.1767 36 G 3.8775 8.8750 115.3385 46.1456 0.0000 172.9426 37 R 3.9955 7.3436 117.0789 55.4800 30.7874 176.6257 38 L 4.3167 8.4191 123.8644 55.6776 43.5896 175.5908 39 R 5.2352 8.6666 124.8155 54.6318 34.1466 173.2206 40 L 5.3257 9.3914 127.6627 53.5870 45.5250 174.9226 41 T 5.2406 9.0524 122.2054 61.7253 71.7010 172.8059 42 A 5.3307 9.1683 127.6702 50.3522 22.3353 175.0404 43 S 5.6582 9.3820 117.3083 55.7120 67.9230 172.9534 44 L 5.4070 8.4601 123.1869 53.6166 44.9115 175.3562 45 R 4.8606 9.2317 121.5764 55.0567 33.7620 173.8890 46 Q 4.6627 8.4069 118.2687 54.0393 30.7499 175.0108 47 N 4.4153 8.5171 119.5265 53.4256 39.9761 176.2199 48 G 3.5949 8.8516 110.6223 48.7929 0.0000 175.1374 49 A 4.0259 7.9113 121.0339 52.1965 18.4634 177.3296 50 K 3.7170 7.2451 113.4303 57.6046 30.4205 175.7601 51 T 4.5391 7.5026 105.7035 61.3693 70.2029 173.1308 52 A 4.9131 7.1109 122.0869 51.7674 22.7338 174.9095 53 Y 5.1352 9.1609 116.9467 56.2164 42.1106 175.0983 54 R 5.1964 9.1662 121.1886 54.5548 33.2770 174.8280 55 V 4.7154 8.8399 124.6716 61.3772 33.6948 173.9665 56 N 5.5953 8.9979 125.3599 51.5322 41.3930 173.6966 57 L 5.2895 8.7849 122.7048 52.8325 45.8726 175.4879 58 K 4.9921 9.4903 124.7231 54.6908 35.7392 174.4028 59 L 5.0000 9.1822 130.7321 53.9228 43.6042 174.5596 60 D 5.2902 8.7385 127.2632 52.9556 43.0900 175.4725 61 Q 4.7799 9.1464 125.3857 53.8439 30.9378 174.4061 62 A 4.4827 8.5951 128.3650 52.0163 19.7042 176.1020 63 D 4.4207 8.8368 121.6161 52.8206 42.3839 175.1615 64 V 4.9643 8.1159 126.2274 60.3957 33.3337 174.6915 65 V 4.1739 8.2884 127.5677 61.4033 33.5523 174.1756 66 D 4.8613 8.7825 128.3565 52.9692 40.5522 175.9701 67 S 4.5445 8.2320 125.3990 56.2091 62.2456 173.3555 68 G 4.1400 8.3452 119.7210 45.3345 0.0000 171.8804 *75 L 4.6010 7.3347 119.1592 53.1141 42.4095 175.3117 76 P 4.5947 0.0000 0.0000 62.9129 32.2207 176.0699 77 K 4.6339 8.1064 119.7708 54.8602 36.9348 175.5952 78 V 4.0305 8.4158 125.2364 63.2755 31.4907 175.7669 79 R 4.4282 9.1473 128.1668 58.8287 31.1023 175.9278 80 Y 4.9357 6.9599 114.4724 56.4754 41.2785 173.2856 81 T 5.1198 8.6268 109.3588 60.1611 71.5096 173.2000 82 Q 4.9096 9.0746 123.9322 54.3387 31.9617 174.7438 83 V 5.0763 8.2001 120.0579 61.2248 35.3676 174.3531 84 W 5.1231 9.3367 135.0000 55.8875 33.5051 173.8831 85 S 5.4926 8.9930 121.1660 56.9507 65.9696 173.0075 86 H 5.1078 9.5323 117.7618 54.1826 32.8671 172.2394 87 D 4.9706 8.8373 120.7034 52.7540 43.7992 174.4280 88 V 4.4364 9.0325 127.0227 61.3989 34.1588 174.2779 89 T 4.9379 8.6934 124.6376 62.2206 70.1367 173.7627 90 I 4.5097 8.4914 128.4763 59.2080 39.9134 175.5921 91 V 4.0911 8.4652 127.5183 62.5887 32.2162 176.6924 92 A 4.2253 8.7959 131.8440 55.5500 18.3486 178.2425 93 N 4.7326 8.0931 109.7106 53.1004 37.6114 175.3329 94 S 4.4401 7.6267 113.7052 58.0700 64.2953 174.6756 95 T 4.1233 8.1512 112.1177 61.4339 70.7222 175.0075 96 E 3.8942 8.8355 123.3185 59.5020 29.5505 178.9966 97 A 4.0021 8.0443 120.4461 55.3737 18.5992 179.6442 98 S 4.0868 8.2183 112.6380 61.5623 62.9757 177.0111 99 R 3.9355 7.9642 121.3677 58.9782 29.8503 178.8658 100 K 3.9909 8.6414 119.7740 59.4007 32.0876 178.7845 101 S 4.0811 8.3761 113.7268 61.2459 62.3717 175.8440 102 L 3.9365 7.8094 122.6026 58.2866 41.7610 177.8865 103 Y 4.0294 8.2062 119.5224 61.1481 38.6374 178.0713 104 D 4.1639 8.5812 119.7175 57.2980 40.9256 178.8026 105 L 3.9469 8.2948 119.8194 58.2293 41.5862 179.8601 106 T 3.8668 7.8377 115.6053 66.1482 68.3693 176.4592 107 K 3.5422 7.8304 122.0683 59.7475 31.8558 178.5433 108 S 4.0246 7.7972 111.6077 61.1507 62.4644 175.4293 109 L 4.0864 8.1376 123.4010 58.4432 41.6429 179.2930 110 V 3.6755 7.7584 116.3609 65.8157 31.5235 177.4358 111 A 4.1254 7.7293 119.0218 53.2253 18.9824 177.9772 112 T 3.9702 7.2424 109.2636 61.5770 69.4169 175.8200 113 S 4.2326 8.6597 119.2121 61.2825 63.0852 176.6529 114 Q 3.9730 8.0960 121.7637 59.0724 28.5116 178.8367 115 V 3.6449 7.6262 119.2254 65.8380 31.5314 177.4949 116 E 4.0219 8.1238 118.6686 59.6166 29.4455 178.6198 117 D 4.3895 8.4487 119.0659 57.1057 40.8232 178.5059 118 L 4.1032 7.9331 122.1279 57.8289 41.9731 179.3369 119 V 3.5015 7.6972 116.8233 65.6349 31.5427 177.6109 120 V 3.9652 8.0976 117.2737 64.4082 30.4187 176.1494 121 N 4.8281 8.0858 112.7942 52.0297 39.7871 174.9976 122 L 3.7252 7.9635 116.7632 55.4209 39.5043 174.3304 123 V 3.8320 7.1015 118.5349 61.4614 31.7684 174.1602 124 P 4.3175 0.0000 0.0000 62.4291 31.8400 176.2587 125 L 4.0961 8.0833 120.5387 55.3193 42.2571 177.1718 126 G 4.1261 9.3343 110.3413 45.6743 0.0000 174.5281 127 R 4.1897 8.3529 122.3773 56.4549 31.1499 175.0533 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 1 S 8.33 4.47 0.00 4.00 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 2 K 8.26 4.73 0.00 1.83 1.90 0.00 1.77 0.00 0.00 1.93 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 3 T 8.82 5.37 4.35 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 1.27 0.00 0.00 4 I 8.53 4.45 1.41 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 1.31 0.45 0.00 0.00 5 V 8.36 4.80 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 0.90 0.00 0.00 0.91 0.00 0.00 6 L 8.92 4.79 0.00 1.55 1.47 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.62 5.08 0.00 3.69 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 8 V 8.40 4.15 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 0.98 0.00 0.00 0.91 0.00 0.00 9 G 8.35 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 10 E 8.86 4.10 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 2.31 2.24 0.00 11 A 7.83 4.47 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 12 T 8.08 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 9.11 4.63 0.00 1.65 1.94 0.00 3.29 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 14 T 8.53 4.86 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 8.71 4.91 0.00 1.58 1.72 0.90 0.43 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 16 T 9.20 5.17 4.29 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 1.23 0.00 0.00 17 E 8.97 3.89 0.00 1.64 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 2.01 1.47 0.00 18 I 8.29 4.38 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 1.15 0.76 0.93 0.00 0.00 19 Q 7.55 4.72 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 20 S 8.43 5.18 0.00 3.81 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 21 T 8.56 4.79 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 1.20 0.00 0.00 22 A 8.70 4.14 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 8.12 4.99 0.00 2.92 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 24 R 7.88 5.29 0.00 1.87 1.74 0.00 3.14 0.00 0.00 3.41 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 25 Q 9.32 4.96 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.60 0.00 26 I 8.40 4.97 1.82 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 1.24 0.97 0.93 0.00 0.00 27 F 9.66 5.21 0.00 2.93 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 9.12 5.21 0.00 1.89 1.82 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 2.40 2.24 0.00 29 E 8.70 4.54 0.00 2.01 1.91 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 2.32 2.29 0.00 30 K 8.29 4.38 0.00 1.80 1.77 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.59 7.81 31 V 7.09 4.35 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 0.80 0.00 0.00 0.94 0.00 0.00 32 G 8.69 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 0.00 0.00 0.00 33 P 0.00 4.43 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 34 L 8.50 3.91 0.00 1.74 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.75 3.39 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 0.82 0.00 0.00 0.92 0.00 0.00 36 G 8.87 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 37 R 7.34 4.00 0.00 2.01 1.89 0.00 3.18 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 38 L 8.42 4.32 0.00 1.78 1.55 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.67 5.24 0.00 1.86 1.72 0.00 3.12 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 40 L 9.39 5.33 0.00 1.75 1.55 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 T 9.05 5.24 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 1.31 0.00 0.00 42 A 9.17 5.33 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 9.38 5.66 0.00 3.73 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 44 L 8.46 5.41 0.00 1.60 1.52 0.95 0.81 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 45 R 9.23 4.86 0.00 1.88 2.00 0.00 2.83 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 46 Q 8.41 4.66 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.08 0.00 0.00 0.00 0.00 0.00 1.71 2.35 0.00 47 N 8.52 4.42 0.00 2.91 2.76 0.00 0.00 7.51 7.80 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 48 G 8.85 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.91 4.03 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 50 K 7.25 3.72 0.00 1.86 1.80 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.28 7.81 51 T 7.50 4.54 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 1.22 0.00 0.00 52 A 7.11 4.91 1.22 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 0.00 0.00 0.00 53 Y 9.16 5.14 0.00 2.84 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 54 R 9.17 5.20 0.00 1.71 1.85 0.00 3.47 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 55 V 8.84 4.72 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 1.07 0.00 0.00 0.96 0.00 0.00 56 N 9.00 5.60 0.00 2.80 2.74 0.00 0.00 6.34 6.07 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 57 L 8.78 5.29 0.00 1.68 1.58 0.94 0.51 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 58 K 9.49 4.99 0.00 1.80 1.67 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.44 7.81 59 L 9.18 5.00 0.00 1.84 1.63 0.99 1.12 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 60 D 8.74 5.29 0.00 2.71 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 9.15 4.78 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 62 A 8.60 4.48 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 63 D 8.84 4.42 0.00 1.58 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 8.12 4.96 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 1.24 0.00 0.00 0.92 0.00 0.00 65 V 8.29 4.17 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 0.91 0.00 0.00 0.92 0.00 0.00 66 D 8.78 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 67 S 8.23 4.54 0.00 3.88 3.80 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 68 G 8.35 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 0.00 0.00 0.00 *75 L 7.33 4.60 0.00 1.67 1.69 0.92 1.14 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 76 P 0.00 4.59 0.00 2.03 1.97 0.00 3.66 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.28 0.00 77 K 8.11 4.63 0.00 1.73 1.63 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 78 V 8.42 4.03 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 0.76 0.00 0.00 0.90 0.00 0.00 79 R 9.15 4.43 0.00 1.51 2.10 0.00 3.21 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 80 Y 6.96 4.94 0.00 3.02 3.01 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 81 T 8.63 5.12 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 1.22 0.00 0.00 82 Q 9.07 4.91 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 83 V 8.20 5.08 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 0.93 0.00 0.00 1.05 0.00 0.00 84 W 9.34 5.12 0.00 3.51 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 85 S 8.99 5.49 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 86 H 9.53 5.11 0.00 3.07 3.26 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 8.84 4.97 0.00 2.68 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 9.03 4.44 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 1.06 0.00 0.00 1.00 0.00 0.00 89 T 8.69 4.94 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 1.24 0.00 0.00 90 I 8.49 4.51 2.00 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 1.17 1.00 0.97 0.00 0.00 91 V 8.47 4.09 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 1.06 0.00 0.00 0.96 0.00 0.00 92 A 8.80 4.23 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 8.09 4.73 0.00 2.86 2.95 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 7.63 4.44 0.00 4.04 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 95 T 8.15 4.12 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 8.84 3.89 0.00 2.04 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 2.37 0.00 97 A 8.04 4.00 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 8.22 4.09 0.00 4.09 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 99 R 7.96 3.94 0.00 2.08 2.03 0.00 3.12 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 100 K 8.64 3.99 0.00 1.85 2.09 0.00 1.77 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.55 7.81 101 S 8.38 4.08 0.00 4.07 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 0.00 102 L 7.81 3.94 0.00 1.98 1.89 0.95 0.66 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 8.21 4.03 0.00 3.13 3.18 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 0.00 0.00 0.00 0.00 104 D 8.58 4.16 0.00 2.86 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 0.00 105 L 8.29 3.95 0.00 1.63 1.71 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 0.00 106 T 7.84 3.87 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 1.21 0.00 0.00 107 K 7.83 3.54 0.00 1.26 1.70 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.19 7.81 108 S 7.80 4.02 0.00 3.85 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 0.00 109 L 8.14 4.09 0.00 1.88 1.84 0.95 0.81 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 0.00 110 V 7.76 3.68 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 0.66 0.00 0.00 0.98 0.00 0.00 111 A 7.73 4.13 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 0.00 112 T 7.24 3.97 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 1.25 0.00 0.00 113 S 8.66 4.23 0.00 4.08 4.18 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 0.00 0.00 0.00 0.00 114 Q 8.10 3.97 0.00 2.13 2.21 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 7.63 3.64 2.36 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 1.21 0.00 0.00 1.05 0.00 0.00 116 E 8.12 4.02 0.00 2.14 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 8.45 4.39 0.00 3.01 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 7.93 4.10 0.00 1.90 1.83 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 119 V 7.70 3.50 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 0.88 0.00 0.00 0.73 0.00 0.00 120 V 8.10 3.97 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 1.03 0.00 0.00 121 N 8.09 4.83 0.00 2.89 2.76 0.00 0.00 7.02 6.36 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 0.00 122 L 7.96 3.73 0.00 1.79 1.73 0.88 0.92 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 0.00 123 V 7.10 3.83 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 0.95 0.00 0.00 1.02 0.00 0.00 124 P 0.00 4.32 0.00 2.07 1.96 0.00 3.72 0.00 0.00 3.80 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 4.10 0.00 1.63 1.60 0.92 0.98 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 0.00 126 G 9.33 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 R 8.35 4.19 0.00 1.75 1.77 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 1.52 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.