NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 3.9092 8.0431 120.3942 63.1804 32.6597 173.5568 7 G 3.7739 8.8588 112.6142 44.2575 0.0000 172.7440 8 H 5.2215 9.5905 123.1916 55.8356 30.0968 173.4112 9 T 4.5889 8.2928 117.7620 61.8682 70.2466 175.9734 10 F 4.0820 8.7430 124.2824 60.5642 39.3877 175.6444 11 F 4.6040 7.9644 116.6712 57.7054 40.1854 176.1265 12 Q 4.2883 7.7578 119.6021 55.6315 29.1455 175.2561 13 K 4.8553 8.0921 118.8169 53.5172 35.4123 174.5564 14 P 4.3654 0.0000 0.0000 62.7356 31.8026 177.4427 15 E 3.9547 9.0884 122.8175 59.8096 29.4431 178.3766 16 S 4.4880 7.9230 109.5102 58.3792 63.5334 173.9693 17 C 4.1247 8.1975 122.0624 60.3993 28.2710 173.1296 18 P 4.1846 0.0000 0.0000 63.8934 30.1398 177.4392 *24 S 4.2084 7.7903 113.5836 59.3048 62.9989 173.5960 25 M 4.2824 8.4830 124.9076 55.0839 32.4893 175.6243 26 K 4.3162 8.3408 121.0729 54.9216 33.2651 175.3993 27 L 4.5630 8.2017 127.7024 52.8647 42.9366 175.4962 28 D 4.5274 8.5025 125.8874 54.2555 41.4694 176.4371 29 I 4.0632 7.9626 114.3418 60.5831 39.2339 176.2634 30 G 3.8899 8.6831 107.7674 46.1519 0.0000 173.0356 31 I 4.3194 7.8931 121.8136 58.7668 38.6427 175.4558 32 I 3.7864 8.4562 126.6848 62.9911 37.3060 175.8115 33 N 4.2264 8.8752 122.5325 54.1882 36.0402 175.4160 34 E 3.9972 8.0687 120.1435 58.9392 29.9558 176.2632 35 N 4.6610 7.7457 116.6945 51.9503 37.5447 173.2877 36 Q 4.3739 7.7716 118.8207 55.1945 32.0784 173.1737 37 R 4.7276 8.4490 125.0427 53.8117 33.2746 175.0349 38 V 3.7155 8.2313 122.1201 61.5907 31.9826 175.9619 39 S 4.5512 8.5419 118.0374 56.5837 62.7740 172.4124 40 M 4.8829 8.1247 125.3922 52.5827 35.1844 176.1445 41 S 4.0891 8.6772 116.3283 59.0998 63.5015 174.7496 42 R 3.9905 8.7187 123.3518 58.0644 30.5573 175.8429 43 N 4.1165 8.8292 115.9396 53.7470 36.3188 176.5108 44 I 3.6012 7.4409 119.4838 63.8142 38.2112 175.5534 45 E 2.0000 7.5276 116.2281 56.5395 29.3227 177.7645 46 S 4.1883 6.7880 115.6621 60.3584 64.3289 176.0089 47 R 4.1121 7.6807 117.5699 56.7014 30.1422 176.9443 48 S 4.4591 6.6960 112.9874 57.4492 63.3122 174.3303 49 T 4.0614 8.5380 116.0574 63.8883 69.0358 173.4073 50 S 5.0814 7.8944 116.9115 55.4961 61.9199 172.2137 51 P 4.5543 0.0000 0.0000 63.3817 33.0199 175.9156 52 W 5.7417 7.8765 116.9172 55.2496 31.6856 173.9096 53 N 4.9312 9.4434 118.0400 52.0973 40.9272 173.6705 54 Y 5.3524 8.5043 118.3674 56.8550 40.4587 175.2287 55 T 4.5084 9.5544 122.5387 61.9987 70.7174 174.0347 56 V 4.5926 8.4875 127.8963 61.4879 32.3852 175.2343 57 T 4.5340 8.3616 119.1642 61.1140 70.8114 173.7955 58 W 5.6481 8.6200 132.2516 56.2325 33.7666 173.1970 59 D 4.4353 8.1540 127.0571 51.4907 42.3827 173.9820 60 P 3.7285 0.0000 0.0000 65.5064 31.6880 176.2022 61 N 4.8478 8.3019 115.9608 53.0858 39.4471 174.8835 62 R 5.0693 7.6814 117.8521 54.8483 34.2802 172.6376 63 Y 4.8102 9.2710 127.1357 54.9476 41.1827 173.5156 64 P 4.0932 0.0000 0.0000 62.2693 32.7051 176.5971 65 S 4.4310 8.5535 115.7767 61.0810 63.7517 173.8631 66 E 5.4474 8.0311 118.1969 54.1465 30.7642 175.5541 67 V 4.2465 7.8852 122.7231 60.9641 33.7899 174.5372 68 V 4.2808 8.3649 128.6251 62.4878 32.5172 174.9440 69 Q 4.7847 9.5610 126.5952 54.1191 31.5338 174.8592 70 A 5.2181 8.9779 126.3901 51.2513 20.9513 176.5839 71 Q 4.3696 8.9483 120.5779 54.4909 32.3632 173.5951 72 C 4.6339 9.1067 124.0445 58.1783 40.2311 174.2514 73 R 4.0306 9.0514 123.5403 58.2262 30.4234 175.6694 74 N 5.1348 7.8938 113.7271 51.1625 43.0435 173.9337 75 L 4.0997 8.7577 120.8085 57.3445 42.5835 176.2205 76 G 4.6928 8.2028 104.9571 44.7947 0.0000 172.1096 77 C 5.3944 8.2151 115.3476 55.1094 43.4933 173.3307 78 I 4.9048 8.7417 115.7306 59.9360 39.0509 175.6255 79 N 4.7412 8.2824 122.7490 51.1978 39.7776 174.9977 80 A 3.9605 8.7889 120.2936 55.9524 18.1929 179.3571 81 Q 3.9951 7.9916 112.5996 57.7776 28.8748 177.7756 82 G 4.0511 8.2947 105.5062 45.0173 0.0000 172.7343 83 K 4.4490 8.9060 119.2865 54.3573 34.3423 176.1748 84 E 4.5304 8.7366 125.7570 55.9124 28.0635 173.9125 85 D 4.5022 8.9372 124.6441 53.2149 42.1081 175.3479 86 I 4.2986 8.2304 120.2002 61.0867 37.8201 176.9113 87 S 4.4389 7.8084 115.8617 60.0059 63.7829 173.6518 88 M 4.9308 7.7403 120.2165 53.5173 35.7395 174.1710 89 N 5.4763 8.8347 117.6789 51.5475 42.6178 173.8317 90 S 4.9493 8.9249 118.1828 57.6657 62.9954 173.6891 91 V 4.7004 8.4588 120.8890 58.6809 35.2130 173.7732 92 P 4.8255 0.0000 0.0000 62.7576 32.7781 175.3027 93 I 4.4046 8.8575 122.7342 59.7637 39.5321 174.4258 94 Q 5.0226 8.6303 126.0585 54.2123 30.7655 174.7379 95 Q 4.5666 9.0542 125.2410 54.1143 32.0251 173.6951 96 E 4.5901 8.7844 127.6031 56.0332 30.8093 174.9508 97 T 4.7687 9.1020 120.5947 60.7788 72.0221 171.6280 98 L 5.2520 8.4274 122.5165 53.0020 44.1608 176.8021 99 V 4.6446 8.9556 115.5896 59.6527 36.5487 174.4028 100 V 4.5962 9.2009 123.9136 61.6711 33.3667 174.4114 101 R 4.9072 9.3750 129.1572 54.6948 31.9482 174.8194 102 R 4.2723 8.7410 127.8505 55.8105 30.9586 175.5047 103 K 4.4201 8.3496 124.8342 55.3162 36.4900 177.0753 104 H 4.0859 8.3949 117.5810 56.5306 27.9504 173.8516 105 Q 4.5743 8.0676 115.2228 55.9393 32.7187 178.6336 106 G 3.9047 8.3577 109.2069 47.0534 0.0000 174.9935 107 C 4.2727 8.8438 122.2677 62.6401 28.0747 175.1240 108 S 4.4420 7.8221 111.9264 58.7790 61.9318 174.4750 109 V 3.8087 7.3082 120.8103 62.4424 31.3694 175.4783 110 S 4.7956 8.5574 117.6176 56.4935 66.4394 172.3033 111 F 5.3133 8.7171 121.0403 55.7053 42.4231 174.2143 112 Q 4.5954 9.1475 123.4834 54.1915 32.4076 174.1921 113 L 4.7434 8.4795 125.6434 54.5800 43.0398 175.8827 114 E 4.5966 9.5328 123.3252 54.2801 33.1191 174.0622 115 K 4.9192 8.7954 128.8225 55.7402 33.0944 175.9871 116 V 4.5184 8.7880 127.3210 59.8086 34.7368 174.5689 117 L 4.8372 8.5305 123.5171 53.8050 42.7551 175.8909 118 V 4.3591 8.8817 125.1811 61.5431 33.7470 174.9037 119 T 4.6475 9.3148 125.7865 62.7173 68.3145 175.6849 120 V 3.5564 8.5300 128.5921 63.7908 32.4636 176.1706 121 G 2.1879 6.3592 106.2364 45.1346 0.0000 171.0402 122 C 5.3521 6.4270 115.0751 55.2969 42.3355 173.4283 123 T 4.6986 8.6311 115.5295 60.4702 70.9723 171.3745 124 C 5.4222 8.7078 123.1770 54.9003 46.7087 173.3064 125 V 4.6799 8.8369 119.7209 60.1429 34.7845 174.3935 126 T 4.9482 8.0024 110.9997 59.8948 71.5300 172.1435 127 P 4.3127 0.0000 0.0000 65.0130 31.5093 177.4585 128 V 4.1048 7.2597 117.5950 61.9172 32.3000 175.2122 129 I 4.3020 8.0876 120.5092 61.9403 38.3500 176.0846 *130 H 4.3581 8.1558 122.8089 56.0399 27.8070 177.3898 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 6 V 8.04 3.91 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 0.99 0.00 0.00 0.94 0.00 0.00 7 G 8.86 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 8 H 9.59 5.22 0.00 3.11 3.28 0.00 5.94 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.29 4.59 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 10 F 8.74 4.08 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.96 4.60 0.00 3.18 3.14 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 12 Q 7.76 4.29 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 13 K 8.09 4.86 0.00 1.72 1.70 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 14 P 0.00 4.37 0.00 2.17 1.97 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 15 E 9.09 3.95 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 16 S 7.92 4.49 0.00 3.98 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 17 C 8.20 4.12 0.00 3.04 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 18 P 0.00 4.18 0.00 2.09 1.95 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.62 0.00 *24 S 7.79 4.21 0.00 3.89 3.93 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 25 M 8.48 4.28 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.88 0.00 26 K 8.34 4.32 0.00 1.72 1.72 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.41 7.81 27 L 8.20 4.56 0.00 1.58 1.52 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.50 4.53 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.96 4.06 1.80 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 1.31 0.80 0.83 0.00 0.00 30 G 8.68 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 31 I 7.89 4.32 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.38 0.97 0.00 0.00 32 I 8.46 3.79 1.89 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 1.42 0.47 0.92 0.00 0.00 33 N 8.88 4.23 0.00 2.87 3.18 0.00 0.00 7.06 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.07 4.00 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 35 N 7.75 4.66 0.00 2.76 2.79 0.00 0.00 6.66 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 36 Q 7.77 4.37 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 37 R 8.45 4.73 0.00 1.77 1.75 0.00 3.30 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 38 V 8.23 3.72 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 0.75 0.00 0.00 0.96 0.00 0.00 39 S 8.54 4.55 0.00 3.82 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 40 M 8.12 4.88 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 41 S 8.68 4.09 0.00 3.91 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 42 R 8.72 3.99 0.00 1.79 1.88 0.00 3.35 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 43 N 8.83 4.12 0.00 2.76 2.74 0.00 0.00 6.67 7.35 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 44 I 7.44 3.60 2.11 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.42 1.09 0.00 0.00 45 E 7.53 2.00 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 46 S 6.79 4.19 0.00 3.66 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 47 R 7.68 4.11 0.00 1.69 1.93 0.00 3.12 0.00 0.00 3.28 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 48 S 6.70 4.46 0.00 3.95 3.56 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 49 T 8.54 4.06 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 1.22 0.00 0.00 50 S 7.89 5.08 0.00 3.94 3.93 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 P 0.00 4.55 0.00 2.00 2.22 0.00 3.66 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.92 0.00 52 W 7.88 5.74 0.00 3.13 3.05 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 53 N 9.44 4.93 0.00 2.86 2.80 0.00 0.00 7.19 7.89 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 54 Y 8.50 5.35 0.00 2.90 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 55 T 9.55 4.51 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 56 V 8.49 4.59 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 0.90 0.00 0.00 0.95 0.00 0.00 57 T 8.36 4.53 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 58 W 8.62 5.65 0.00 3.25 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.15 4.44 0.00 2.54 2.25 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 60 P 0.00 3.73 0.00 2.04 1.81 0.00 3.35 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 61 N 8.30 4.85 0.00 2.67 2.76 0.00 0.00 6.34 8.06 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 62 R 7.68 5.07 0.00 1.75 1.55 0.00 3.06 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 63 Y 9.27 4.81 0.00 3.08 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 64 P 0.00 4.09 0.00 1.96 1.45 0.00 3.62 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 65 S 8.55 4.43 0.00 3.82 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 66 E 8.03 5.45 0.00 1.90 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 2.47 2.51 0.00 67 V 7.89 4.25 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 0.92 0.00 0.00 0.88 0.00 0.00 68 V 8.36 4.28 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 0.64 0.00 0.00 0.81 0.00 0.00 69 Q 9.56 4.78 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 70 A 8.98 5.22 1.08 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 0.00 0.00 71 Q 8.95 4.37 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 72 C 9.11 4.63 0.00 2.92 3.08 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 73 R 9.05 4.03 0.00 1.96 1.95 0.00 3.31 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 74 N 7.89 5.13 0.00 2.82 2.81 0.00 0.00 6.86 7.85 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 75 L 8.76 4.10 0.00 1.73 1.82 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.20 4.69 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 0.00 0.00 0.00 77 C 8.22 5.39 0.00 2.92 3.03 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 78 I 8.74 4.90 1.86 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 1.42 0.57 0.90 0.00 0.00 79 N 8.28 4.74 0.00 2.91 3.02 0.00 0.00 6.66 8.24 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 80 A 8.79 3.96 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 81 Q 7.99 4.00 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.08 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 82 G 8.29 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 0.00 0.00 0.00 83 K 8.91 4.45 0.00 1.72 1.71 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.50 7.81 84 E 8.74 4.53 0.00 1.98 1.89 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 2.29 2.31 0.00 85 D 8.94 4.50 0.00 2.88 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 86 I 8.23 4.30 1.87 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 1.47 0.74 0.96 0.00 0.00 87 S 7.81 4.44 0.00 4.02 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 88 M 7.74 4.93 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 89 N 8.83 5.48 0.00 2.64 2.67 0.00 0.00 6.85 7.18 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 90 S 8.92 4.95 0.00 4.19 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 91 V 8.46 4.70 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 0.70 0.00 0.00 0.92 0.00 0.00 92 P 0.00 4.83 0.00 2.00 1.98 0.00 3.69 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 1.94 1.96 0.00 93 I 8.86 4.40 1.78 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.52 0.84 0.00 0.00 94 Q 8.63 5.02 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 95 Q 9.05 4.57 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 96 E 8.78 4.59 0.00 2.00 1.81 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 2.25 2.29 0.00 97 T 9.10 4.77 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 1.30 0.00 0.00 98 L 8.43 5.25 0.00 1.52 1.56 0.98 0.84 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 99 V 8.96 4.64 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 0.71 0.00 0.00 0.94 0.00 0.00 100 V 9.20 4.60 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 1.07 0.00 0.00 1.14 0.00 0.00 101 R 9.38 4.91 0.00 1.87 1.87 0.00 3.09 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 102 R 8.74 4.27 0.00 1.86 1.71 0.00 3.30 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.00 103 K 8.35 4.42 0.00 1.48 1.30 0.00 1.92 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.24 7.81 104 H 8.39 4.09 0.00 3.28 3.25 0.00 5.87 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.07 4.57 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.86 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 106 G 8.36 3.90 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 0.00 0.00 0.00 107 C 8.84 4.27 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.82 4.44 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 0.00 109 V 7.31 3.81 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 0.69 0.00 0.00 0.64 0.00 0.00 110 S 8.56 4.80 0.00 3.90 3.64 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 0.00 111 F 8.72 5.31 0.00 2.90 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 0.00 112 Q 9.15 4.60 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 113 L 8.48 4.74 0.00 1.48 1.56 0.84 0.87 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 0.00 114 E 9.53 4.60 0.00 1.93 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 2.17 2.21 0.00 115 K 8.80 4.92 0.00 1.81 1.70 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.56 7.81 116 V 8.79 4.52 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 0.86 0.00 0.00 0.91 0.00 0.00 117 L 8.53 4.84 0.00 1.53 1.64 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.88 4.36 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 1.01 0.00 0.00 0.91 0.00 0.00 119 T 9.31 4.65 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 1.19 0.00 0.00 120 V 8.53 3.56 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 0.69 0.00 0.00 0.95 0.00 0.00 121 G 6.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 C 6.43 5.35 0.00 3.19 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 0.00 123 T 8.63 4.70 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 1.21 0.00 0.00 124 C 8.71 5.42 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.84 4.68 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 0.70 0.00 0.00 1.00 0.00 0.00 126 T 8.00 4.95 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 0.00 127 P 0.00 4.31 0.00 2.06 2.16 0.00 3.67 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 2.03 2.07 0.00 128 V 7.26 4.10 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 0.78 0.00 0.00 0.93 0.00 0.00 129 I 8.09 4.30 1.87 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 1.27 0.75 0.91 0.00 0.00 *130 H 8.16 4.36 0.00 2.95 2.88 0.00 7.23 0.00 0.00 0.00 0.00 6.91 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.