NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3319 0.0000 0.0000 61.5153 32.6254 176.1847 6 P 4.1476 0.0000 0.0000 62.6812 31.4683 174.3934 7 G 4.1440 9.2899 108.9524 45.3305 0.0000 174.0617 8 D 5.0488 8.7570 119.4132 54.4045 41.9418 175.9569 9 I 4.5415 7.9576 114.0268 59.1071 40.8526 174.0187 10 N 5.0031 9.2774 122.3977 51.7150 41.0859 173.8490 11 T 4.9981 8.2899 112.8025 59.8935 72.2265 172.8175 12 Q 4.4912 8.8265 123.6887 53.3034 31.5433 173.6358 13 P 4.5740 0.0000 0.0000 62.3908 32.0497 177.1866 14 S 5.0225 8.3548 114.6083 59.8478 63.6607 175.0233 15 Q 4.5994 7.9663 116.9918 56.2690 31.5840 175.2812 16 K 4.7000 7.8198 115.0468 55.6562 36.2622 175.4691 17 I 4.3378 8.1703 120.5952 59.2787 40.3363 174.8929 18 V 4.4035 8.0774 126.3054 61.0824 33.3338 174.4205 19 F 4.9047 9.1623 128.1415 56.1402 40.7027 174.7672 20 N 5.4715 8.9073 120.8927 51.7327 40.3330 175.0170 21 A 3.1690 8.3441 124.5994 50.1669 19.7519 175.0120 22 P 4.1489 0.0000 0.0000 62.5757 32.2454 175.6059 23 Y 4.7610 7.9237 115.2233 57.9739 38.6411 176.7935 24 D 4.7579 8.3985 120.3978 53.8035 40.6878 175.9286 *25 D 5.1316 7.8226 122.5093 52.5877 43.2909 181.6083 26 K 4.8744 8.6375 125.7048 54.9910 33.0075 177.1947 *27 H 4.8934 8.8446 124.1238 52.7371 30.6287 169.7703 28 T 4.8879 8.5122 118.9105 60.0447 68.5752 173.7369 29 Y 4.5135 8.6502 126.9897 57.2322 40.9392 174.0003 30 H 5.4515 8.6477 115.5678 54.7988 33.0226 173.2733 31 I 4.8275 10.0209 121.5209 59.3502 41.5959 174.1999 32 K 4.8937 8.8010 124.8477 54.7518 34.8550 174.7154 33 I 4.7799 8.7603 128.3153 59.7307 40.2539 174.7807 34 T 4.8367 8.9612 123.0612 61.7776 72.5801 172.9242 35 N 4.4812 8.8217 125.5866 52.4669 38.9241 174.0965 36 A 4.4529 8.2301 127.4324 52.0739 19.0096 177.4411 37 G 3.9689 9.0858 109.6486 45.8535 0.0000 174.4273 38 G 3.8826 8.4938 106.4040 45.9400 0.0000 174.0841 39 R 4.7266 7.5744 117.2477 54.0072 32.8920 176.2945 40 R 4.4543 8.4321 121.9180 56.5516 31.6324 175.1601 41 I 5.2693 8.5908 117.8787 59.2601 41.8862 174.0015 42 G 5.2186 9.3715 109.9547 44.6654 0.0000 172.2287 43 W 6.3000 9.2096 118.3149 55.1550 32.1433 173.4416 44 A 4.8137 9.5911 122.4698 50.3909 22.5853 174.7718 45 I 5.0827 8.6980 120.4487 59.4334 39.1992 175.4075 46 K 4.6473 9.8993 127.8772 55.0102 35.3123 175.1770 47 T 4.6312 8.5923 122.6487 62.4869 71.0920 174.3545 48 T 4.3548 8.4116 118.6793 63.8213 69.5304 175.7838 49 N 4.7473 7.8954 123.5815 53.0994 39.5371 174.9120 *50 M 4.2602 8.4747 123.8829 56.6089 32.0489 177.7039 *51 R 4.2562 7.8526 114.8350 59.2982 30.3980 183.3447 52 R 4.1174 7.6179 118.6279 58.7898 30.4384 176.4354 53 L 4.9061 7.5323 116.4366 54.5424 43.0609 176.2574 54 S 4.6929 8.1764 113.7300 57.8340 67.1957 174.2869 55 V 4.9211 8.1579 122.8453 61.5574 35.3283 174.6990 56 D 4.4798 8.1104 119.9005 53.0795 44.1756 173.4195 57 P 5.1259 0.0000 0.0000 62.1215 32.8679 174.1845 58 P 5.0073 0.0000 0.0000 62.3395 32.5571 174.1401 59 C 2.8036 6.7710 113.2906 57.8430 31.5725 173.6014 60 G 3.7118 5.3800 104.7309 46.3267 0.0000 172.2512 61 V 5.3421 8.7281 111.8902 59.5909 35.7699 175.3742 62 L 4.8140 9.4983 125.9410 53.1221 44.9343 175.4454 63 D 4.6151 9.3007 127.1575 53.6371 42.0750 174.7057 64 P 4.3414 0.0000 0.0000 64.5685 31.7583 176.5253 65 K 3.9388 9.5319 121.2293 56.8738 30.3588 175.2222 66 E 4.6898 7.9666 120.4427 54.7257 31.6173 174.9427 67 K 5.2427 8.5460 123.7337 54.6654 35.6967 175.7028 68 V 4.5495 8.7520 121.1829 59.9753 35.3810 173.9827 69 L 5.2582 8.5535 123.9537 53.6498 43.5257 175.1108 70 M 4.9176 8.9245 123.9987 53.5123 33.2490 175.1665 71 A 5.3582 8.4469 123.2832 49.9245 19.7192 176.9091 72 V 4.5693 8.2352 120.9590 63.5839 33.4433 174.5805 73 S 4.9374 8.5051 117.4933 56.9899 66.3452 171.8776 74 C 4.9928 8.7531 126.3020 57.7012 34.0019 173.3982 75 D 5.2539 8.6424 126.6011 53.4925 41.9708 176.1640 76 T 4.4873 8.4323 110.3658 62.2052 69.5560 173.8107 77 F 4.7628 7.7431 115.4657 56.3657 41.5565 173.7119 78 N 4.4739 8.7228 118.2103 52.3988 38.0013 176.1180 79 A 4.1485 8.2798 126.9414 54.2877 18.7300 178.2809 80 A 4.1240 7.8534 118.8599 55.4698 18.8390 178.8015 81 T 3.9323 7.9637 105.1620 64.0283 68.9006 174.3736 82 E 4.3688 7.4902 120.3445 54.7033 31.4170 175.7233 *83 D 4.5528 8.2955 118.4748 53.2187 40.0954 175.1480 84 L 4.6423 8.2806 122.3513 53.5312 43.0179 176.8465 85 N 4.8108 8.1190 115.0090 53.4929 39.2549 175.0285 86 N 4.8601 7.9229 114.1602 52.9488 39.6351 174.4672 87 D 4.7378 7.8693 118.9872 54.5340 42.6855 175.0130 88 R 4.7305 7.9025 118.6600 56.0939 33.7886 172.9906 89 I 5.1546 8.5275 122.7820 59.7556 41.0323 174.7402 90 T 5.1256 10.1103 122.7693 61.8283 71.9464 172.9028 91 I 5.2038 9.1884 127.2099 59.4047 40.3865 174.3304 92 E 5.7353 9.7674 124.7483 54.6276 32.5457 174.9118 93 W 6.3000 9.3877 119.1278 55.9304 32.5670 173.3936 94 T 4.5650 8.9726 112.3038 60.8495 70.6173 172.2928 95 N 4.8109 8.8145 124.1156 54.2479 39.1925 174.8888 96 T 3.6006 8.3744 119.2697 62.1178 69.9245 173.0915 97 P 4.1242 0.0000 0.0000 62.0325 32.1264 175.0527 98 D 4.4552 8.1430 122.7354 56.9602 39.5330 177.1203 99 G 3.8738 8.8042 112.5529 44.7598 0.0000 172.2852 100 A 4.0814 7.6475 121.8327 52.1262 18.8523 177.0815 101 A 4.7746 8.3063 124.6782 50.5826 21.8027 179.1368 *102 K 4.3774 8.3513 121.3870 53.6792 28.9440 175.4765 103 Q 4.4950 7.6325 116.0195 54.9133 32.8512 174.1558 104 F 3.9715 8.8295 126.0015 57.6656 40.4122 174.7676 105 R 3.7138 5.8400 126.8432 53.8298 32.9448 176.3117 106 R 3.7775 8.3893 125.3085 61.9581 29.3512 174.9058 107 E 3.8805 8.0353 118.6053 58.8417 29.2482 179.3454 108 W 4.4373 7.5753 117.7632 58.8561 29.0995 178.0836 109 F 4.4148 9.2390 119.0824 58.8960 38.5505 175.7296 110 Q 4.3183 7.4453 116.8579 55.3378 29.0541 175.6018 111 G 3.8698 7.9823 112.9992 46.9905 0.0000 171.5959 *112 D 4.6610 8.5980 116.7348 53.3233 40.6844 172.9767 113 G 3.7689 7.8903 108.4568 47.0690 0.0000 173.5119 *114 M 4.2944 8.2644 118.6523 53.6795 32.1886 176.8420 115 V 4.5285 8.1349 123.5984 60.2783 33.8518 174.8930 116 R 4.5053 8.7817 126.1987 54.0697 33.3429 174.9626 117 R 5.4240 8.0016 116.8597 54.5086 32.8678 174.1033 118 K 4.7467 10.0564 123.6060 54.8127 35.3085 174.1904 119 N 5.2108 8.9716 124.9463 52.1483 39.9828 174.8477 120 L 4.6256 9.2431 126.0694 52.1839 42.8564 174.4452 121 P 4.6663 0.0000 0.0000 62.5660 33.1175 175.1241 122 I 4.4190 7.7320 121.8978 59.7936 38.7535 174.7880 123 E 4.5042 8.5156 127.5457 54.4825 32.2786 173.9310 124 Y 5.1829 8.6654 124.5466 56.6154 39.7735 174.5595 125 N 4.8419 9.8389 125.1548 52.0766 40.5059 175.1318 126 L 4.3778 8.6165 125.4266 55.1123 41.9477 176.7705 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 5 P 0.00 4.33 0.00 2.17 2.09 0.00 3.74 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 1.88 1.94 0.00 6 P 0.00 4.15 0.00 2.24 2.14 0.00 3.62 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 1.54 1.89 0.00 7 G 9.29 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 8 D 8.76 5.05 0.00 2.74 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 9 I 7.96 4.54 1.47 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.15 0.00 0.00 10 N 9.28 5.00 0.00 2.48 2.65 0.00 0.00 6.63 5.12 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 11 T 8.29 5.00 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 1.02 0.00 0.00 12 Q 8.83 4.49 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 13 P 0.00 4.57 0.00 2.16 1.94 0.00 3.62 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 2.02 2.05 0.00 14 S 8.35 5.02 0.00 3.93 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 15 Q 7.97 4.60 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 16 K 7.82 4.70 0.00 1.72 1.66 0.00 1.46 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.15 1.28 7.81 17 I 8.17 4.34 1.31 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.63 0.21 0.00 0.00 18 V 8.08 4.40 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 0.79 0.00 0.00 0.81 0.00 0.00 19 F 9.16 4.90 0.00 2.92 3.02 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 20 N 8.91 5.47 0.00 2.75 2.77 0.00 0.00 7.04 6.76 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 21 A 8.34 3.17 0.92 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 0.00 0.00 22 P 0.00 4.15 0.00 1.95 1.97 0.00 3.58 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 23 Y 7.92 4.76 0.00 2.61 2.32 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 24 D 8.40 4.76 0.00 2.72 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.82 5.13 0.00 2.45 2.44 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 0.00 26 K 8.64 4.87 0.00 1.53 1.63 0.00 1.64 0.00 0.00 2.61 0.00 0.00 2.89 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 0.85 7.81 *27 H 8.84 4.89 0.00 2.57 2.95 0.00 7.13 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.51 4.89 4.40 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 1.23 0.00 0.00 29 Y 8.65 4.51 0.00 3.20 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 30 H 8.65 5.45 0.00 3.00 3.12 0.00 5.66 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 31 I 10.02 4.83 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.74 0.89 0.00 0.00 32 K 8.80 4.89 0.00 1.73 1.54 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.32 7.81 33 I 8.76 4.78 1.38 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.32 0.43 0.00 0.00 34 T 8.96 4.84 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 1.15 0.00 0.00 35 N 8.82 4.48 0.00 2.85 2.72 0.00 0.00 6.73 8.19 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 36 A 8.23 4.45 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 37 G 9.09 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 38 G 8.49 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 39 R 7.57 4.73 0.00 1.93 1.82 0.00 3.21 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 40 R 8.43 4.45 0.00 2.07 1.77 0.00 3.09 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 41 I 8.59 5.27 2.33 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.22 1.13 0.00 0.00 42 G 9.37 5.22 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 0.00 43 W 9.21 6.30 0.00 3.66 3.42 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 0.00 0.00 0.00 44 A 9.59 4.81 0.76 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 0.00 0.00 45 I 8.70 5.08 2.14 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.98 0.00 0.00 46 K 9.90 4.65 0.00 1.74 1.61 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.25 7.81 47 T 8.59 4.63 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 48 T 8.41 4.35 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 49 N 7.90 4.75 0.00 2.76 2.60 0.00 0.00 7.27 7.65 0.00 0.00 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 M 8.47 4.26 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.11 0.00 *51 R 7.85 4.26 0.00 1.82 1.86 0.00 3.22 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 52 R 7.62 4.12 0.00 1.66 1.81 0.00 2.21 0.00 0.00 2.45 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 53 L 7.53 4.91 0.00 1.63 1.66 1.02 0.80 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 54 S 8.18 4.69 0.00 3.76 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 55 V 8.16 4.92 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 0.92 0.00 0.00 0.99 0.00 0.00 56 D 8.11 4.48 0.00 2.80 2.53 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 0.00 0.00 0.00 0.00 57 P 0.00 5.13 0.00 2.42 2.13 0.00 3.94 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 2.58 2.23 0.00 58 P 0.00 5.01 0.00 2.01 2.29 0.00 3.71 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 1.91 1.92 0.00 59 C 6.77 2.80 0.00 1.23 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 0.00 0.00 0.00 60 G 5.38 3.71 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 0.00 0.00 0.00 61 V 8.73 5.34 2.31 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 1.32 0.00 0.00 1.19 0.00 0.00 62 L 9.50 4.81 0.00 1.94 1.60 1.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 D 9.30 4.62 0.00 2.91 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 64 P 0.00 4.34 0.00 2.00 2.14 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 65 K 9.53 3.94 0.00 1.80 1.95 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.35 7.81 66 E 7.97 4.69 0.00 2.03 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 0.00 2.27 2.30 0.00 67 K 8.55 5.24 0.00 1.61 1.61 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.35 7.81 68 V 8.75 4.55 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 0.45 0.00 0.00 1.03 0.00 0.00 69 L 8.55 5.26 0.00 1.57 1.53 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 M 8.92 4.92 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 71 A 8.45 5.36 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.24 4.57 2.33 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 1.48 0.00 0.00 1.02 0.00 0.00 73 S 8.51 4.94 0.00 3.94 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 74 C 8.75 4.99 0.00 2.32 2.53 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 0.00 0.00 0.00 0.00 75 D 8.64 5.25 0.00 2.78 2.66 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 76 T 8.43 4.49 4.40 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 1.23 0.00 0.00 77 F 7.74 4.76 0.00 3.14 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 78 N 8.72 4.47 0.00 2.81 2.83 0.00 0.00 6.79 7.54 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 79 A 8.28 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.85 4.12 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 81 T 7.96 3.93 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 82 E 7.49 4.37 0.00 2.08 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 2.42 2.05 0.00 *83 D 8.30 4.55 0.00 2.72 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 84 L 8.28 4.64 0.00 1.58 1.50 0.92 1.04 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 85 N 8.12 4.81 0.00 2.70 2.88 0.00 0.00 6.89 8.00 0.00 0.00 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 N 7.92 4.86 0.00 2.68 2.82 0.00 0.00 7.02 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 87 D 7.87 4.74 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.73 0.00 1.82 1.71 0.00 3.11 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 89 I 8.53 5.15 1.96 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 1.25 0.83 0.92 0.00 0.00 90 T 10.11 5.13 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 1.43 0.00 0.00 91 I 9.19 5.20 2.02 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.15 1.09 0.00 0.00 92 E 9.77 5.74 0.00 2.35 2.31 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 2.24 2.19 0.00 93 W 9.39 6.30 0.00 3.73 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.97 4.56 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 0.85 0.00 0.00 95 N 8.81 4.81 0.00 2.56 2.66 0.00 0.00 6.99 7.54 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 96 T 8.37 3.60 4.12 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 0.00 0.00 0.76 0.00 0.00 97 P 0.00 4.12 0.00 1.98 1.76 0.00 2.20 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 98 D 8.14 4.46 0.00 2.62 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 99 G 8.80 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 0.00 100 A 7.65 4.08 1.15 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 0.00 0.00 101 A 8.31 4.77 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 *102 K 8.35 4.38 0.00 1.79 1.66 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.04 7.81 103 Q 7.63 4.50 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 104 F 8.83 3.97 0.00 2.84 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 0.00 105 R 5.84 3.71 0.00 0.67 1.21 0.00 3.33 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 106 R 8.39 3.78 0.00 1.81 1.97 0.00 3.29 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.33 0.00 107 E 8.04 3.88 0.00 1.87 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 0.00 2.32 2.25 0.00 108 W 7.58 4.44 0.00 3.10 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 0.00 109 F 9.24 4.41 0.00 3.07 3.20 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 0.00 110 Q 7.45 4.32 0.00 2.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 111 G 7.98 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 *112 D 8.60 4.66 0.00 2.70 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 0.00 113 G 7.89 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 *114 M 8.26 4.29 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.09 0.00 115 V 8.13 4.53 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 1.10 0.00 0.00 1.06 0.00 0.00 116 R 8.78 4.51 0.00 0.67 0.66 0.00 2.91 0.00 0.00 2.80 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.16 0.00 117 R 8.00 5.42 0.00 1.95 1.94 0.00 3.01 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 118 K 10.06 4.75 0.00 2.06 1.76 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.48 7.81 119 N 8.97 5.21 0.00 2.67 2.76 0.00 0.00 6.99 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 0.00 120 L 9.24 4.63 0.00 1.49 1.52 0.84 0.98 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 0.00 121 P 0.00 4.67 0.00 2.05 2.14 0.00 3.83 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 2.02 1.97 0.00 122 I 7.73 4.42 1.66 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.85 0.22 0.00 0.00 123 E 8.52 4.50 0.00 1.85 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 2.18 2.22 0.00 124 Y 8.67 5.18 0.00 3.07 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 0.00 125 N 9.84 4.84 0.00 2.91 2.81 0.00 0.00 6.76 7.25 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 0.00 126 L 8.62 4.38 0.00 1.77 1.65 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.