NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2450 8.3444 119.6950 55.8501 29.8821 173.5249 3 N 4.3137 8.2330 118.4303 50.3023 42.1412 173.2101 4 A 3.8018 8.9931 121.5275 55.5665 18.9941 178.5824 5 D 4.2554 8.0127 116.0703 58.0227 40.8377 179.1438 6 D 4.3813 7.7247 118.1491 57.2318 40.7275 179.1135 7 F 4.0633 8.4383 118.0002 60.2105 38.8949 177.9405 8 I 3.6479 7.7611 117.2824 63.3455 37.3395 177.5876 9 K 3.7541 7.7575 120.0635 59.5661 32.0586 178.5553 10 F 4.1545 7.7523 117.8933 60.5373 38.8883 177.9079 11 L 3.7492 7.7064 116.7651 55.2324 42.1546 176.7598 12 E 3.6439 7.6085 116.8003 57.2873 27.0515 174.5478 13 L 4.4909 7.3200 116.6625 55.0147 43.0859 177.9696 14 E 4.9819 8.8605 119.5298 54.3568 34.3512 175.1326 15 Q 3.8253 8.7671 120.7438 56.3676 29.4629 175.4401 16 H 5.0221 8.8320 124.1747 54.1517 31.4613 175.8959 17 V 3.4328 8.3683 126.3361 64.9692 31.0571 176.6266 18 E 4.3817 8.2925 116.1339 56.0097 29.7450 176.4860 19 G 4.0160 8.5866 106.6653 46.5929 0.0000 175.6105 20 G 3.5114 8.4080 106.3887 44.2160 0.0000 172.3560 21 F 5.3920 7.6290 115.6673 56.2933 43.7275 173.6912 22 Y 5.9419 9.1414 118.7787 56.5556 42.4655 173.4707 23 R 4.4825 8.5113 116.6080 55.4833 33.5557 174.6036 24 S 4.6436 9.0858 123.4771 58.1830 60.0970 173.7429 25 S 4.1837 8.7574 116.6050 61.5139 62.3214 174.4768 26 Y 4.9251 8.2655 116.1896 55.7892 43.0956 173.4532 27 R 4.1791 8.1697 119.7203 54.4922 33.0882 174.5797 28 S 3.7950 6.6124 120.7038 58.4073 63.0411 173.6259 29 E 4.5900 8.6039 121.1573 56.1450 30.0098 175.8462 30 T 4.5129 7.8041 116.0176 61.5621 70.9206 173.1904 31 A 5.1979 8.2881 127.6821 49.5326 20.0036 176.4788 32 F 4.3535 9.0521 125.8588 61.1570 40.0646 175.0367 33 D 4.9079 7.7970 117.9763 51.8533 44.5474 174.2665 34 P 4.4848 0.0000 0.0000 63.4489 30.8808 177.2829 35 S 4.6345 8.1634 112.3578 57.3635 64.2654 173.9990 36 R 4.7726 7.7281 119.2217 54.5570 33.4692 174.8989 37 Q 4.6482 8.2464 118.9656 53.8871 31.8917 176.4424 38 L 4.2152 8.8632 123.1302 58.0113 43.3191 176.6869 39 W 5.5349 7.3277 112.4954 56.3436 30.6816 173.6364 40 S 4.9157 9.3786 116.1811 56.7385 64.9242 173.1290 41 S 5.3123 9.1678 117.9975 56.8648 66.3583 172.1946 42 I 5.0619 8.4297 116.0443 60.5662 41.5690 172.6010 43 Y 5.1888 8.7716 118.7710 56.4961 41.0020 175.2651 44 F 5.4314 9.1840 123.7449 56.7688 43.6232 172.8145 45 L 5.6668 8.4456 127.5298 52.2174 45.2474 174.4130 46 L 4.8717 8.4946 128.0935 53.4341 43.9380 175.1311 47 R 4.8466 8.5004 126.0214 55.0217 32.3991 176.7357 48 T 3.8076 8.0713 118.8272 67.0559 68.5201 175.8756 49 G 3.7212 7.9623 108.9889 48.0972 0.0000 174.2679 50 E 4.3792 7.8891 118.2212 55.8946 30.4700 176.1314 51 V 4.5791 7.5666 111.6906 60.0094 35.7750 174.2812 52 S 4.5150 8.7295 119.2813 58.8191 63.1331 172.9220 53 H 4.7099 9.2665 126.3352 55.6350 28.3491 175.1581 54 F 4.6973 8.3847 121.7435 56.9080 39.2187 174.5477 55 H 4.9509 8.9863 119.1863 54.5293 32.7960 171.9324 56 R 5.0459 8.3314 116.5933 55.3875 34.0480 173.8719 57 L 5.6601 8.6820 124.3696 52.4931 45.1295 177.0133 58 T 4.3146 8.7684 115.1811 65.7899 69.0537 174.3620 59 A 4.8681 7.7839 120.8862 49.6926 22.8501 175.1959 60 D 4.5384 8.5652 117.6420 54.9459 42.4642 175.7485 61 E 4.6635 8.6262 121.0225 54.5890 34.5432 173.5926 *63 W 4.9941 8.3754 118.6367 56.9474 30.8387 174.2010 64 Y 4.9522 8.7773 123.1343 55.7986 39.8237 175.3490 65 F 4.4936 9.6858 128.0114 59.1014 39.8061 173.2177 66 H 4.7932 7.4039 120.3247 55.7097 30.7100 173.8143 67 A 4.0138 7.0640 117.0251 52.0924 23.0766 176.2709 68 G 3.9367 8.9570 103.4291 46.7290 0.0000 173.2302 69 Q 3.7938 7.9493 117.3242 53.8437 29.4283 178.0294 70 S 4.4069 8.6263 118.1982 59.6210 63.3544 174.5215 71 L 4.8194 8.4299 123.6905 55.1238 45.3295 175.1035 72 T 4.4679 7.9843 115.2037 63.7494 73.5178 173.0280 73 I 4.4346 8.1547 129.1606 60.6640 38.6069 175.2135 74 Y 4.5961 9.2282 125.3779 56.4492 40.6541 175.2982 *76 I 3.9956 8.0626 120.6042 60.8519 38.6045 175.9421 77 S 4.0645 8.3192 122.7566 57.3994 63.1145 173.8264 78 P 4.4818 0.0000 0.0000 64.6434 31.0723 176.8179 79 E 4.3807 9.2004 118.1236 58.7879 30.2500 177.2856 80 G 3.2071 6.9714 112.8563 45.4406 0.0000 171.7809 81 E 4.6345 7.8191 122.0894 53.8169 32.0387 175.0836 82 L 4.4417 8.4142 127.1972 55.4801 43.3564 177.2661 83 T 4.5710 7.7346 117.2676 62.8727 69.8317 174.7034 84 T 3.8708 7.7649 117.8159 62.3637 65.1980 173.2720 85 A 4.0079 8.3882 127.9436 50.7080 20.3984 176.2488 86 Q 4.4729 7.8947 117.5085 53.8178 32.8864 174.0830 87 L 4.7617 7.7308 126.1591 54.0803 44.1984 175.4644 88 G 3.2311 7.7590 111.9961 45.8647 0.0000 171.8657 89 L 4.5550 7.7215 117.6350 54.6512 42.0939 176.1123 90 D 4.8748 7.4659 117.7878 52.7263 42.7445 176.7691 91 L 4.4925 8.5131 123.5243 55.0838 43.8336 177.5635 92 A 3.9759 8.5198 120.8477 54.5772 18.2266 177.1171 93 A 4.6146 8.2004 116.6553 50.1071 21.8345 177.3113 94 G 3.8581 8.2325 107.8144 45.7151 0.0000 176.1428 95 E 4.6508 7.5991 119.1879 54.1095 29.7853 176.2558 96 R 4.4874 7.9544 122.4827 54.4771 31.7472 175.4150 97 P 4.3814 0.0000 0.0000 65.2866 32.4029 175.3950 98 Q 5.3809 7.4981 116.2960 53.1238 33.1748 173.5309 99 F 4.3760 7.8585 120.6414 58.0327 42.2249 172.3430 100 L 4.7450 6.7227 123.1960 52.9902 45.0328 175.5193 101 V 4.2082 8.1329 125.8488 59.1415 33.0099 173.6284 102 P 5.5402 0.0000 0.0000 61.1756 32.6439 175.9846 103 K 3.9682 8.6863 120.8046 58.0209 33.1911 177.8454 104 G 4.1369 8.4070 109.7533 46.1960 0.0000 173.9900 105 C 4.5076 8.0082 114.5809 57.2173 31.0152 174.0482 106 I 4.5034 8.0134 123.6341 61.0032 37.2155 174.9643 107 F 5.3399 8.9678 122.1924 55.3084 42.2334 173.4023 108 G 4.4512 8.7564 104.2377 46.9929 0.0000 171.8559 109 S 5.6793 8.4054 113.0913 57.1546 66.5066 171.7265 110 A 4.4687 8.2688 120.9120 52.3893 21.9722 175.3268 *112 N 4.7323 9.0483 109.9475 53.3857 40.4032 174.2599 113 Q 4.7966 7.6164 112.9197 53.5305 32.4933 176.1884 114 D 4.7650 8.2433 118.8271 56.1224 41.9034 176.0473 115 G 4.2363 9.1642 112.2487 46.5376 0.0000 175.0026 116 F 5.1986 8.7499 118.1749 55.1253 41.7315 172.4042 117 S 4.3837 8.6722 113.7971 56.6784 65.7774 172.1243 118 L 5.0629 8.6722 130.0251 53.3049 44.2482 175.3026 119 V 4.9141 9.4876 125.5020 61.1239 35.9266 173.8941 120 G 4.6270 9.1533 110.9696 44.7890 0.0000 172.2741 121 C 4.9421 8.3346 119.0754 57.7289 33.7368 173.2584 *123 V 4.3771 8.0505 111.4049 61.8060 32.3519 176.8080 124 S 4.2197 8.8421 120.0381 60.5148 62.5431 172.0751 125 P 4.0998 0.0000 0.0000 63.1126 30.5420 175.2760 126 G 3.7910 8.5189 110.7054 41.0000 0.0000 171.6243 127 F 4.7047 8.8721 128.1507 57.3377 40.1717 175.0017 128 T 4.1877 7.1447 113.7877 59.5238 71.7836 174.7299 129 F 4.1670 8.2240 119.8391 59.3945 39.3559 176.8383 130 D 4.5671 7.6099 119.6521 57.2466 40.8155 176.6197 131 D 4.8675 7.5807 118.9992 54.2418 41.3215 175.5456 132 F 5.4443 7.8856 119.3285 56.9351 43.2744 173.3548 133 E 4.3000 7.9996 123.4008 54.4039 33.8845 173.9586 134 L 4.1547 8.0945 126.0117 53.2544 43.7998 175.5528 135 F 5.1069 7.6319 125.5644 56.7352 40.9614 175.7747 136 S 4.7011 8.4970 115.8721 56.9712 64.2333 174.5352 137 Q 4.2716 8.4846 121.8134 57.7134 28.3375 176.3839 138 E 4.0149 7.4700 118.7119 58.5707 30.3068 178.5501 139 A 3.8573 8.1067 121.0537 55.5125 19.2119 178.4576 140 L 4.7087 7.6651 116.9903 53.9085 41.5983 175.8137 141 L 4.5985 7.3426 118.1053 56.4127 48.8315 175.1004 142 A 4.1927 7.6355 119.4344 52.9990 18.4232 177.4745 *144 Y 5.0079 7.5161 113.7148 59.2263 38.9860 175.1600 145 P 4.5506 0.0000 0.0000 64.8198 32.5873 179.4600 146 Q 4.0659 8.2615 116.3585 58.8102 28.9033 176.9409 147 H 4.8057 7.9598 114.2190 55.6758 29.1853 176.7753 148 K 4.0258 7.9316 125.4335 59.6942 31.6224 178.3632 149 A 4.0540 8.1437 119.9243 54.0954 18.3658 178.6691 150 V 4.1360 8.1129 117.2841 62.9672 32.5882 178.3399 151 V 3.9551 8.0370 117.8690 66.1621 31.3743 177.1508 152 Q 4.0758 7.6278 117.0242 59.2290 28.6546 178.5326 153 K 4.0333 7.7097 118.0051 59.7475 32.6844 179.7912 154 L 4.1005 7.1650 118.5673 54.4763 41.2752 176.5028 155 S 4.6509 7.0151 109.3743 57.7902 65.9716 174.7561 156 R 4.7807 7.8751 123.4343 53.3754 33.2572 173.7126 157 P 4.4993 0.0000 0.0000 63.5642 32.5082 175.9387 158 E 4.6981 8.6042 120.0238 56.6319 30.4715 174.0242 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 2 Q 8.34 4.25 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 3 N 8.23 4.31 0.00 2.64 2.62 0.00 0.00 7.17 7.28 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 4 A 8.99 3.80 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 5 D 8.01 4.26 0.00 2.61 2.67 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 6 D 7.72 4.38 0.00 2.95 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 7 F 8.44 4.06 0.00 3.24 3.13 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 8 I 7.76 3.65 1.46 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.98 0.78 0.00 0.00 9 K 7.76 3.75 0.00 1.73 1.73 0.00 1.58 0.00 0.00 1.18 0.00 0.00 2.23 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.70 1.11 7.81 10 F 7.75 4.15 0.00 2.85 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 11 L 7.71 3.75 0.00 1.52 1.29 0.62 0.01 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 12 E 7.61 3.64 0.00 2.05 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 2.16 2.48 0.00 13 L 7.32 4.49 0.00 1.45 1.70 0.91 0.82 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 14 E 8.86 4.98 0.00 1.50 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 15 Q 8.77 3.83 0.00 1.84 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.08 2.38 0.00 16 H 8.83 5.02 0.00 3.58 3.58 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.37 3.43 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 0.80 0.00 0.00 1.02 0.00 0.00 18 E 8.29 4.38 0.00 2.30 2.41 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 2.53 2.40 0.00 19 G 8.59 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 20 G 8.41 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.63 5.39 0.00 2.86 2.85 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 22 Y 9.14 5.94 0.00 3.26 3.24 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 0.00 23 R 8.51 4.48 0.00 1.82 1.91 0.00 3.40 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 24 S 9.09 4.64 0.00 3.87 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 25 S 8.76 4.18 0.00 3.86 3.63 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 26 Y 8.27 4.93 0.00 3.06 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 27 R 8.17 4.18 0.00 1.61 1.56 0.00 3.16 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.49 0.00 28 S 6.61 3.80 0.00 2.72 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 29 E 8.60 4.59 0.00 1.98 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 2.19 2.28 0.00 30 T 7.80 4.51 4.33 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 1.29 0.00 0.00 31 A 8.29 5.20 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 32 F 9.05 4.35 0.00 2.97 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 33 D 7.80 4.91 0.00 2.85 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.48 0.00 2.04 2.08 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 35 S 8.16 4.63 0.00 3.94 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 36 R 7.73 4.77 0.00 2.07 1.94 0.00 3.15 0.00 0.00 3.49 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 37 Q 8.25 4.65 0.00 1.85 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 38 L 8.86 4.22 0.00 2.03 1.83 1.12 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 39 W 7.33 5.53 0.00 3.49 3.11 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 40 S 9.38 4.92 0.00 3.86 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 41 S 9.17 5.31 0.00 4.24 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 42 I 8.43 5.06 2.15 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.29 0.94 0.00 0.00 43 Y 8.77 5.19 0.00 3.01 2.88 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 44 F 9.18 5.43 0.00 2.90 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 45 L 8.45 5.67 0.00 1.71 1.47 0.93 0.71 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 46 L 8.49 4.87 0.00 1.88 1.57 1.08 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.50 4.85 0.00 2.03 1.86 0.00 3.33 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 48 T 8.07 3.81 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 1.33 0.00 0.00 49 G 7.96 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 50 E 7.89 4.38 0.00 1.99 1.86 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 2.32 2.38 0.00 51 V 7.57 4.58 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 0.60 0.00 0.00 0.96 0.00 0.00 52 S 8.73 4.51 0.00 4.20 4.09 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 53 H 9.27 4.71 0.00 3.10 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.38 4.70 0.00 3.08 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 55 H 8.99 4.95 0.00 3.21 3.36 0.00 5.47 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.33 5.05 0.00 1.90 1.66 0.00 3.30 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.02 0.00 57 L 8.68 5.66 0.00 1.87 1.97 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.77 4.31 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 59 A 7.78 4.87 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 60 D 8.57 4.54 0.00 2.64 2.58 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 61 E 8.63 4.66 0.00 2.19 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 0.00 2.32 2.30 0.00 *63 W 8.38 4.99 0.00 3.47 3.31 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 64 Y 8.78 4.95 0.00 2.78 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 65 F 9.69 4.49 0.00 3.11 3.11 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 66 H 7.40 4.79 0.00 3.08 3.18 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.06 4.01 1.07 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 68 G 8.96 3.94 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 0.00 0.00 0.00 69 Q 7.95 3.79 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 70 S 8.63 4.41 0.00 3.95 3.87 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 71 L 8.43 4.82 0.00 1.76 1.76 1.32 0.55 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 72 T 7.98 4.47 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 0.57 0.00 0.00 73 I 8.15 4.43 1.34 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 -0.15 0.66 0.00 0.00 74 Y 9.23 4.60 0.00 3.20 3.11 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 *76 I 8.06 4.00 1.59 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.75 0.16 0.00 0.00 77 S 8.32 4.06 0.00 4.09 3.94 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 78 P 0.00 4.48 0.00 2.23 2.25 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 79 E 9.20 4.38 0.00 1.89 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 2.26 2.28 0.00 80 G 6.97 3.21 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 81 E 7.82 4.63 0.00 1.97 1.72 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 2.18 2.21 0.00 82 L 8.41 4.44 0.00 1.83 1.59 1.03 0.93 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 83 T 7.73 4.57 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 1.20 0.00 0.00 84 T 7.76 3.87 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 1.12 0.00 0.00 85 A 8.39 4.01 0.10 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 86 Q 7.89 4.47 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 87 L 7.73 4.76 0.00 1.71 1.62 1.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.76 3.23 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 0.00 89 L 7.72 4.56 0.00 1.37 1.59 1.08 0.98 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 90 D 7.47 4.87 0.00 2.69 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 91 L 8.51 4.49 0.00 1.62 1.65 0.90 0.78 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 92 A 8.52 3.98 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 93 A 8.20 4.61 1.24 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 0.00 0.00 0.00 94 G 8.23 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 95 E 7.60 4.65 0.00 1.96 1.76 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 2.12 2.00 0.00 96 R 7.95 4.49 0.00 1.84 2.01 0.00 3.20 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 97 P 0.00 4.38 0.00 2.12 2.21 0.00 3.54 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 98 Q 7.50 5.38 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 99 F 7.86 4.38 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 0.00 100 L 6.72 4.75 0.00 1.38 1.06 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.13 4.21 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 0.55 0.00 0.00 -0.73 0.00 0.00 102 P 0.00 5.54 0.00 2.02 1.97 0.00 3.17 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 103 K 8.69 3.97 0.00 1.98 2.19 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.47 7.81 104 G 8.41 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 0.00 105 C 8.01 4.51 0.00 3.07 2.90 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 0.00 0.00 0.00 106 I 8.01 4.50 1.84 0.00 0.00 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 1.46 0.73 0.88 0.00 0.00 107 F 8.97 5.34 0.00 3.18 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 0.00 108 G 8.76 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 0.00 0.00 0.00 0.00 109 S 8.41 5.68 0.00 3.92 3.99 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 0.00 110 A 8.27 4.47 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 *112 N 9.05 4.73 0.00 2.78 2.95 0.00 0.00 6.57 7.69 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 0.00 113 Q 7.62 4.80 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 114 D 8.24 4.77 0.00 2.71 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 0.00 115 G 9.16 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 0.00 0.00 0.00 0.00 116 F 8.75 5.20 0.00 2.99 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 0.00 117 S 8.67 4.38 0.00 3.84 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 0.00 118 L 8.67 5.06 0.00 1.44 1.17 1.10 0.80 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 0.00 119 V 9.49 4.91 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 1.07 0.00 0.00 1.13 0.00 0.00 120 G 9.15 4.63 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 0.00 0.00 0.00 121 C 8.33 4.94 0.00 2.53 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 *123 V 8.05 4.38 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 1.12 0.00 0.00 124 S 8.84 4.22 0.00 3.87 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 0.00 125 P 0.00 4.10 0.00 1.89 1.73 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 126 G 8.52 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 0.00 0.00 0.00 127 F 8.87 4.70 0.00 2.97 2.89 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 0.00 128 T 7.14 4.19 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 1.09 0.00 0.00 129 F 8.22 4.17 0.00 3.10 3.22 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 0.00 130 D 7.61 4.57 0.00 2.67 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 0.00 131 D 7.58 4.87 0.00 2.60 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 0.00 132 F 7.89 5.44 0.00 3.01 3.21 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 0.00 133 E 8.00 4.30 0.00 1.47 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 2.25 2.23 0.00 134 L 8.09 4.15 0.00 1.22 1.43 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.63 5.11 0.00 3.19 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 0.00 136 S 8.50 4.70 0.00 3.96 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 0.00 137 Q 8.48 4.27 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 138 E 7.47 4.01 0.00 2.03 1.85 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 2.33 2.27 0.00 139 A 8.11 3.86 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 0.00 140 L 7.67 4.71 0.00 1.95 1.83 1.19 1.10 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 0.00 141 L 7.34 4.60 0.00 1.92 1.73 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.64 4.19 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 *144 Y 7.52 5.01 0.00 3.05 2.85 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 0.00 145 P 0.00 4.55 0.00 2.21 2.12 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 146 Q 8.26 4.07 0.00 2.22 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 7.00 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 147 H 7.96 4.81 0.00 3.35 3.44 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 K 7.93 4.03 0.00 1.93 1.86 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 149 A 8.14 4.05 1.32 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 0.00 0.00 150 V 8.11 4.14 2.20 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 1.16 0.00 0.00 0.92 0.00 0.00 151 V 8.04 3.96 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 1.16 0.00 0.00 1.29 0.00 0.00 152 Q 7.63 4.08 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.78 0.00 153 K 7.71 4.03 0.00 1.54 1.74 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.47 7.81 154 L 7.17 4.10 0.00 0.27 0.55 0.64 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.02 4.65 0.00 3.79 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 0.00 156 R 7.88 4.78 0.00 1.69 1.73 0.00 3.18 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.32 0.00 157 P 0.00 4.50 0.00 2.07 2.05 0.00 3.86 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 158 E 8.60 4.70 0.00 2.10 1.98 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 2.18 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.