NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2898 8.3444 119.6888 54.9536 31.0156 174.6942 2 V 4.3463 7.4657 116.7773 60.4634 34.0447 173.2087 3 Q 4.7152 9.7875 128.1022 54.1444 31.3572 173.8814 4 L 5.1145 8.4925 123.2598 53.0173 44.6088 175.6116 5 V 4.8123 8.6222 116.6103 59.7419 34.6715 175.1474 6 Q 5.1718 9.6244 124.7186 54.1750 30.7432 175.5288 7 S 4.3563 8.6808 116.7844 58.6197 64.0568 173.7108 8 G 4.0850 8.4281 107.7295 44.3920 0.0000 173.0857 9 A 4.3754 8.4979 120.7702 52.6671 18.8686 176.8464 10 E 4.6659 9.1020 121.1542 54.3587 33.8222 174.2172 11 V 4.7321 8.4466 124.9814 61.1651 33.6990 174.6280 12 K 4.7671 9.3051 127.0396 54.7014 36.0510 175.5531 13 R 5.1124 7.7397 121.1824 53.1486 32.5218 174.5718 14 P 4.3225 0.0000 0.0000 64.6317 31.7358 177.1238 15 G 3.8975 9.2669 111.0337 45.1170 0.0000 173.0778 16 S 4.7824 7.5093 115.3455 56.7744 66.1983 172.6648 17 S 5.2268 8.4783 113.2496 56.6110 65.1944 173.8489 18 V 4.5792 8.6596 124.2146 59.9288 34.7107 174.3147 19 T 4.8579 8.3770 112.7700 59.9214 71.0206 172.9912 20 V 4.4456 8.4870 126.8954 60.8358 34.2078 174.3510 21 S 5.1334 9.2675 122.4686 56.9600 65.9106 172.3473 22 C 5.2721 9.1600 122.0054 54.9647 47.7031 172.2459 23 K 4.7365 9.0315 128.6055 54.8020 33.7079 174.6764 24 A 5.1828 8.6661 129.6472 50.3024 21.0352 175.8716 25 S 4.4785 9.1022 116.4645 57.6620 66.0856 174.6504 26 G 4.1893 8.8726 110.8259 46.0149 0.0000 175.1219 27 G 3.6326 8.3215 109.7363 47.1932 0.0000 173.3925 28 S 4.9222 8.4543 116.8260 56.3642 66.1040 170.4911 29 F 4.7860 8.8053 123.9913 60.1580 40.4260 178.3792 30 S 3.8153 8.2531 116.5563 60.8717 62.7845 175.4135 31 T 4.4489 7.6153 108.5537 61.1860 68.9009 173.1344 32 Y 4.7019 7.0382 118.1665 56.6274 40.9920 175.3374 33 A 4.3630 9.0802 126.3140 51.6701 20.0218 175.9717 34 L 4.7766 8.9466 124.5800 53.2584 44.8279 175.5432 35 S 5.1422 9.0084 122.7727 56.5109 66.7704 172.8211 36 W 5.1024 8.7222 122.1355 55.0627 31.4185 175.3411 37 V 5.1169 9.3783 124.9828 61.1873 34.0683 174.7128 38 R 5.1149 9.1444 124.3728 54.7477 33.1109 175.2009 39 Q 4.7819 8.6018 120.4374 54.6977 31.8440 173.8302 40 A 4.4965 8.6469 128.7638 51.0247 19.9907 174.7937 41 P 4.4030 0.0000 0.0000 63.6730 31.8989 177.9749 42 G 3.9750 8.8836 109.6606 45.8066 0.0000 172.8952 43 R 4.6548 7.6112 118.1528 54.4297 32.7836 174.8253 44 G 4.0865 8.1833 107.7692 44.1094 0.0000 173.0502 45 L 4.5824 8.3327 121.4119 55.3698 42.6049 177.7717 46 E 4.8470 9.3681 120.2751 54.4500 33.6498 173.8908 47 W 4.6015 9.3432 135.0000 57.0083 31.0539 175.3116 48 M 4.2627 8.8893 126.4697 54.7082 34.1041 176.2613 49 G 3.6037 5.7344 103.2377 46.7935 0.0000 170.9385 50 G 4.7443 8.2009 106.5492 45.7477 0.0000 172.7787 51 V 4.9319 8.8208 118.7095 60.0018 35.5958 174.6079 52 I 4.4308 8.3576 123.4641 59.2138 38.2341 174.8616 53 P 4.0669 0.0000 0.0000 65.1894 31.3967 176.2934 54 L 4.0471 7.5646 120.3472 56.3596 41.7101 176.7549 55 L 3.6950 8.6712 124.9795 54.5004 39.6909 174.7505 56 T 3.4535 7.7534 114.2847 64.6041 66.2869 173.2511 57 I 4.1842 7.8160 122.4099 60.9098 38.2042 177.5339 58 T 4.7802 8.1777 117.5175 60.7586 71.1614 174.0149 59 N 4.7052 7.9648 119.8992 52.9959 42.6801 172.5793 60 Y 5.3345 8.5071 123.3181 55.6867 41.4721 175.4077 61 A 4.3646 8.9193 125.9431 52.0572 19.2967 176.5042 62 P 4.2592 0.0000 0.0000 65.8299 31.5446 178.6238 63 R 3.9472 7.9766 111.6531 57.7165 29.5628 176.7418 64 F 4.6784 7.9163 116.7982 56.9200 40.1611 175.2292 65 Q 4.1139 7.8356 123.1051 57.7405 29.1430 175.8882 66 G 4.0835 9.1275 113.0814 45.0372 0.0000 173.9431 67 R 4.9139 8.0584 116.6424 55.2576 32.1493 175.8997 68 I 4.7832 7.4977 118.3982 59.3432 40.7096 174.8537 69 T 4.5830 8.5736 123.8519 62.0204 72.8259 172.7063 70 I 5.2384 9.3303 127.7792 59.7901 39.6860 175.1829 71 T 5.0192 9.1374 115.5833 60.0496 72.6583 172.5744 72 A 5.3387 8.7091 122.9315 50.4136 22.7334 174.9832 73 D 4.8915 9.4308 121.2477 52.6286 43.1509 177.0136 74 R 4.3434 9.0020 126.2822 58.8928 30.5108 178.2558 75 S 4.3324 7.8591 110.7091 59.9429 63.3595 174.8469 76 T 4.3610 7.5706 108.6111 60.3674 69.3398 173.6069 77 S 2.0000 7.4310 116.6959 59.5589 60.7200 171.2926 78 T 4.8805 7.0867 114.4326 61.5986 71.3907 173.5763 79 A 5.3581 8.8676 127.7449 50.4975 22.5201 174.8991 80 Y 5.2948 9.5948 117.1618 56.1391 42.2681 174.2310 81 L 4.6700 8.3750 125.7488 52.9580 44.4520 174.3693 82 E 4.8703 8.9440 127.7802 54.2053 32.1757 174.0719 83 L 5.0050 8.6540 129.3646 53.2974 45.1766 174.9840 84 N 5.2772 8.8426 124.2478 51.0154 40.9590 173.7600 85 S 4.0246 8.4254 110.8559 59.7655 60.5798 173.1028 86 L 4.4338 7.6891 119.2591 54.9033 42.5949 177.2743 87 R 4.9951 9.0621 120.1627 53.5277 34.2857 174.6890 88 P 4.7520 0.0000 0.0000 65.1267 31.3836 178.4424 89 E 3.9725 8.2481 117.3664 58.6165 29.4918 176.8621 90 D 4.7177 8.4578 116.8522 55.2847 41.3728 176.5926 91 T 4.2450 7.8821 117.1281 64.5429 68.9859 173.3644 92 A 4.2612 8.6511 126.8335 51.7281 23.9227 174.5330 93 V 4.5582 7.9792 119.3568 62.1116 33.2151 174.2162 94 Y 5.0931 9.0468 125.8089 56.4849 40.5666 174.2435 95 Y 5.5376 9.3306 121.4764 56.3999 41.6600 172.4881 96 C 4.1324 9.3724 118.1807 54.1619 42.5840 172.6108 97 A 4.3464 7.7919 122.0739 50.3984 21.9988 175.1251 98 R 4.5010 8.2307 122.8572 53.7322 33.7500 174.6686 99 E 4.2022 8.9072 125.7434 57.1747 31.1517 176.7802 100 G 4.5436 8.6572 112.3603 45.4695 0.0000 172.1521 101 T 5.4787 8.1054 108.8919 60.0834 72.1595 173.2466 102 T 4.0007 8.5634 112.9982 61.8911 69.9593 173.5475 103 G 3.8747 9.1505 121.0569 46.2846 0.0000 174.8553 *106 W 4.5475 7.6590 124.6256 55.5375 30.8873 178.8012 107 L 4.7159 7.9138 115.3174 54.4078 40.3896 180.9385 108 G 4.0054 7.7535 108.8552 44.9534 0.0000 173.8282 109 K 4.0457 8.6106 120.3438 56.2741 32.7621 174.2065 110 P 5.2109 0.0000 0.0000 63.2529 31.8238 176.1177 111 I 4.1089 8.7729 114.4232 60.7873 38.1858 175.9993 112 G 4.5612 8.6923 115.5862 45.2807 0.0000 174.2597 113 A 3.7498 7.4447 122.6910 51.2739 19.0111 176.8694 114 F 4.8429 8.0645 119.0968 56.5627 38.1397 175.7755 115 A 4.3402 8.4756 128.4593 53.8334 19.5323 176.8398 116 H 5.0378 8.1227 112.8471 53.9793 31.9328 173.1165 117 W 5.0633 9.1295 122.9058 54.6888 32.0354 175.9918 118 G 4.1916 8.6477 111.0077 45.4511 0.0000 173.6419 119 Q 4.3546 8.7980 116.6995 56.7406 29.2817 177.0494 120 G 3.5103 9.0045 104.8587 45.4186 0.0000 173.2180 121 T 4.4871 8.5989 116.2873 61.1617 72.4109 173.2472 122 L 4.5638 8.6180 130.0030 55.0752 43.5466 175.5008 123 V 4.7859 9.2612 127.4038 61.5576 33.9969 174.1151 124 T 4.8974 8.5732 125.0368 61.8852 70.9897 173.6625 125 V 4.9803 8.4926 126.8200 61.3819 33.1811 174.5001 126 S 5.0154 8.7729 121.5981 57.4798 66.8962 175.0492 127 S 4.2507 8.3692 114.3222 58.5841 62.9929 173.8248 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 Q 8.34 4.29 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 2 V 7.47 4.35 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 0.74 0.00 0.00 0.70 0.00 0.00 3 Q 9.79 4.72 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 4 L 8.49 5.11 0.00 1.58 1.50 0.80 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.62 4.81 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 0.77 0.00 0.00 0.92 0.00 0.00 6 Q 9.62 5.17 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 7 S 8.68 4.36 0.00 3.90 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 8 G 8.43 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 0.00 0.00 0.00 9 A 8.50 4.38 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 10 E 9.10 4.67 0.00 1.98 1.68 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 2.16 2.21 0.00 11 V 8.45 4.73 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 0.88 0.00 0.00 0.93 0.00 0.00 12 K 9.31 4.77 0.00 1.60 1.61 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.45 7.81 13 R 7.74 5.11 0.00 1.94 1.82 0.00 3.15 0.00 0.00 3.26 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.42 0.00 14 P 0.00 4.32 0.00 2.03 2.00 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 15 G 9.27 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 16 S 7.51 4.78 0.00 3.82 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 17 S 8.48 5.23 0.00 3.80 3.66 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 0.00 0.00 0.00 0.00 18 V 8.66 4.58 1.92 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 0.33 0.00 0.00 0.79 0.00 0.00 19 T 8.38 4.86 4.16 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 1.10 0.00 0.00 20 V 8.49 4.45 1.49 0.00 0.00 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 0.62 0.00 0.00 21 S 9.27 5.13 0.00 3.73 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 22 C 9.16 5.27 0.00 2.90 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 23 K 9.03 4.74 0.00 1.78 1.59 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.25 7.81 24 A 8.67 5.18 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 4.48 0.00 3.81 3.61 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 26 G 8.87 4.19 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 27 G 8.32 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 0.00 0.00 0.00 28 S 8.45 4.92 0.00 3.59 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 29 F 8.81 4.79 0.00 3.05 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 30 S 8.25 3.82 0.00 3.94 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 31 T 7.62 4.45 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 1.08 0.00 0.00 32 Y 7.04 4.70 0.00 2.94 2.82 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 33 A 9.08 4.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.95 4.78 0.00 1.49 1.33 0.67 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.01 5.14 0.00 2.90 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 36 W 8.72 5.10 0.00 3.11 3.07 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 37 V 9.38 5.12 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 1.39 0.00 0.00 1.22 0.00 0.00 38 R 9.14 5.11 0.00 1.07 1.60 0.00 2.35 0.00 0.00 2.92 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 39 Q 8.60 4.78 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 40 A 8.65 4.50 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.07 2.01 0.00 3.78 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 2.04 2.09 0.00 42 G 8.88 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 0.00 0.00 0.00 43 R 7.61 4.65 0.00 1.84 1.91 0.00 3.17 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 44 G 8.18 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 0.00 0.00 0.00 45 L 8.33 4.58 0.00 1.66 1.79 0.86 0.76 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 46 E 9.37 4.85 0.00 1.58 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 2.13 2.10 0.00 47 W 9.34 4.60 0.00 3.46 3.37 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 48 M 8.89 4.26 0.00 1.25 1.80 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.06 0.00 49 G 5.73 3.60 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 0.00 0.00 0.00 50 G 8.20 4.74 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 0.00 0.00 0.00 51 V 8.82 4.93 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 1.02 0.00 0.00 1.00 0.00 0.00 52 I 8.36 4.43 1.82 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 1.17 0.96 0.85 0.00 0.00 53 P 0.00 4.07 0.00 1.85 1.99 0.00 3.47 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 1.01 1.48 0.00 54 L 7.56 4.05 0.00 1.66 1.53 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.67 3.70 0.00 1.84 1.83 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.75 3.45 4.26 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 1.26 0.00 0.00 57 I 7.82 4.18 1.84 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 1.26 0.73 0.88 0.00 0.00 58 T 8.18 4.78 3.44 0.00 0.00 0.00 0.00 0.00 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 59 N 7.96 4.71 0.00 2.83 2.80 0.00 0.00 7.36 8.25 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 60 Y 8.51 5.33 0.00 2.94 2.77 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 61 A 8.92 4.36 1.59 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 62 P 0.00 4.26 0.00 2.24 2.20 0.00 3.78 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 63 R 7.98 3.95 0.00 1.61 1.89 0.00 2.85 0.00 0.00 2.94 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 64 F 7.92 4.68 0.00 3.14 2.97 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 65 Q 7.84 4.11 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 66 G 9.13 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 0.00 0.00 0.00 67 R 8.06 4.91 0.00 1.92 1.96 0.00 3.10 0.00 0.00 3.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.39 0.00 68 I 7.50 4.78 1.67 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.67 0.37 0.00 0.00 69 T 8.57 4.58 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 1.25 0.00 0.00 70 I 9.33 5.24 2.17 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 1.26 0.00 0.00 71 T 9.14 5.02 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 1.27 0.00 0.00 72 A 8.71 5.34 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 73 D 9.43 4.89 0.00 2.95 2.70 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 0.00 0.00 0.00 74 R 9.00 4.34 0.00 1.95 2.10 0.00 3.51 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 75 S 7.86 4.33 0.00 4.02 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 76 T 7.57 4.36 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 77 S 7.43 2.00 0.00 3.72 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.09 4.88 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 0.60 0.00 0.00 79 A 8.87 5.36 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 80 Y 9.59 5.29 0.00 2.92 2.76 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 0.00 0.00 0.00 81 L 8.38 4.67 0.00 0.27 0.13 0.45 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.94 4.87 0.00 1.90 1.63 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 2.05 2.09 0.00 83 L 8.65 5.00 0.00 1.45 1.20 0.86 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.84 5.28 0.00 2.78 2.85 0.00 0.00 6.68 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 85 S 8.43 4.02 0.00 3.99 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 86 L 7.69 4.43 0.00 1.73 1.58 0.86 0.90 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 87 R 9.06 5.00 0.00 1.82 1.78 0.00 3.15 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 88 P 0.00 4.75 0.00 2.19 2.13 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 89 E 8.25 3.97 0.00 1.95 2.02 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 2.35 2.40 0.00 90 D 8.46 4.72 0.00 2.90 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 91 T 7.88 4.25 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 1.24 0.00 0.00 92 A 8.65 4.26 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 4.56 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 0.43 0.00 0.00 0.91 0.00 0.00 94 Y 9.05 5.09 0.00 2.91 2.95 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 Y 9.33 5.54 0.00 3.47 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 96 C 9.37 4.13 0.00 1.90 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 97 A 7.79 4.35 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.50 0.00 1.75 1.55 0.00 3.16 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 99 E 8.91 4.20 0.00 2.42 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 2.46 2.52 0.00 100 G 8.66 4.54 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 0.00 0.00 0.00 101 T 8.11 5.48 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 102 T 8.56 4.00 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 1.24 0.00 0.00 103 G 9.15 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 0.00 0.00 0.00 *106 W 7.66 4.55 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 0.00 107 L 7.91 4.72 0.00 1.65 1.55 0.92 0.75 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 0.00 108 G 7.75 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 0.00 109 K 8.61 4.05 0.00 1.88 1.76 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.49 7.81 110 P 0.00 5.21 0.00 2.26 2.35 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 111 I 8.77 4.11 1.88 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 1.33 0.89 0.93 0.00 0.00 112 G 8.69 4.56 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 0.00 0.00 0.00 113 A 7.44 3.75 1.17 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 0.00 0.00 114 F 8.06 4.84 0.00 3.10 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 4.34 1.11 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 0.00 0.00 116 H 8.12 5.04 0.00 2.96 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 W 9.13 5.06 0.00 3.10 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 0.00 118 G 8.65 4.19 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 0.00 119 Q 8.80 4.35 0.00 2.24 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 120 G 9.00 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 0.00 121 T 8.60 4.49 4.32 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 1.21 0.00 0.00 122 L 8.62 4.56 0.00 1.78 1.57 0.99 0.82 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 0.00 123 V 9.26 4.79 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 0.86 0.00 0.00 0.80 0.00 0.00 124 T 8.57 4.90 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 0.00 125 V 8.49 4.98 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 1.02 0.00 0.00 0.95 0.00 0.00 126 S 8.77 5.02 0.00 3.92 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 0.00 127 S 8.37 4.25 0.00 3.94 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.