NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4497 8.1933 117.0982 57.1686 65.1287 175.6895 4 P 4.2407 0.0000 0.0000 66.1043 31.2583 177.4048 5 R 3.9136 8.7274 120.1604 62.0628 29.8099 179.6698 6 T 3.9541 8.1260 118.4276 67.3417 68.3800 176.7182 7 R 3.8656 9.1648 125.1303 62.5270 29.3360 181.1816 8 K 4.0647 7.7213 124.3775 59.8770 31.5562 180.9376 9 V 3.7578 7.8055 118.4742 65.6749 31.4983 178.0594 10 L 4.0860 8.3722 121.5716 58.7759 41.3720 180.5701 11 K 4.1702 8.3466 125.6119 60.2551 31.3342 181.4674 12 E 4.2792 8.1537 118.0019 61.2573 29.8982 182.5141 13 V 4.0074 8.1111 119.1745 65.8109 31.4484 178.0540 14 R 2.7893 7.9775 117.3817 59.3659 29.9774 178.8355 15 V 3.7013 7.2300 117.2873 65.3249 31.9796 176.8690 16 Q 4.2073 7.6096 119.5609 54.5299 28.8414 179.9865 17 D 4.6142 8.5396 115.2268 56.1164 40.0062 176.9196 18 E 4.0383 9.0330 121.8215 56.1751 27.0576 175.5135 19 N 4.4472 7.8182 115.4500 54.5195 38.8130 175.3254 20 N 4.6952 7.8708 115.5175 53.3652 38.6451 174.8474 21 V 5.0938 7.5317 112.0232 59.3206 36.0196 175.0458 22 C 4.4798 9.0354 123.8666 59.6910 31.9018 174.4292 23 F 4.3167 9.3299 128.9611 61.5697 39.3099 176.3487 24 E 4.1625 8.4836 118.8553 58.8506 29.6395 177.2464 25 C 4.4346 8.2335 110.5880 57.7288 31.1752 174.7277 26 G 3.8166 8.0768 107.7142 44.8791 0.0000 173.5510 27 A 3.8861 7.5768 122.5932 51.4322 19.0863 177.4822 28 F 4.6432 8.1524 119.9282 58.9027 40.0817 175.0588 29 N 4.2015 8.8777 122.1795 54.0488 37.1506 172.4880 30 P 4.6020 0.0000 0.0000 63.2472 32.7047 176.9524 31 Q 4.5205 9.0019 120.0316 55.9020 30.0717 174.8338 32 W 5.1147 8.4309 119.0576 54.9280 33.5584 174.7572 33 V 4.8280 8.5107 112.8970 59.9058 36.3987 174.6030 34 S 4.7230 8.6684 118.3332 56.5553 63.3689 175.0725 35 V 3.5984 8.8766 129.2101 66.1324 31.6220 178.0975 36 T 3.5679 7.8577 115.3973 65.9898 68.3164 173.9923 37 Y 4.4338 7.4397 115.3929 56.6490 39.3502 176.4293 38 G 4.1476 7.9021 108.7390 46.2085 0.0000 173.0544 39 I 4.8974 7.4950 112.4386 58.9803 40.4070 174.2469 40 W 5.3815 10.2771 124.2124 55.1968 31.8186 175.0914 41 I 5.2324 9.4613 117.4864 59.4495 41.0121 174.6704 42 C 4.8587 9.0465 121.2723 58.0904 31.1169 174.8678 43 L 3.5973 8.8730 123.3085 60.0995 40.2084 178.8929 44 E 4.0247 8.2746 119.2206 59.7865 29.5393 178.7253 45 C 4.2124 8.1541 116.0845 62.6134 28.2151 176.3179 46 S 4.1482 8.3525 116.8081 61.3315 62.2403 176.8085 47 G 3.4522 7.4515 107.9714 47.3616 0.0000 175.5045 48 R 4.0584 7.8965 120.4496 59.4925 30.0064 178.9803 49 H 4.1003 8.7053 116.0755 58.6228 27.9558 178.1037 50 R 3.9919 8.0417 120.3417 58.9205 29.5782 179.1707 51 G 3.8376 7.5748 104.7628 47.5994 0.0000 174.9631 52 L 4.0336 7.2920 120.8620 57.0390 42.1355 177.8233 53 G 4.2194 7.5965 107.4825 44.3178 0.0000 175.2581 54 V 4.2457 8.6784 121.6664 63.5049 31.5581 177.1264 55 H 4.3925 8.3560 115.3998 57.4121 28.7822 175.8824 56 L 4.4426 7.8331 119.2790 55.4565 42.9742 176.5576 57 S 4.3533 7.6084 113.4297 57.3139 65.3376 173.0530 58 F 4.8002 9.4558 132.2051 57.1955 40.1463 174.4048 59 V 4.8360 7.6961 128.8470 61.6031 32.9029 175.5149 60 R 4.6744 8.2148 128.2941 56.2220 34.0640 172.0515 61 S 4.0097 8.4814 116.9368 58.5815 64.1599 175.3832 62 V 3.4038 8.0577 122.1592 64.3231 31.4369 178.7231 63 T 4.3690 7.4337 111.4753 62.1591 70.7271 180.0030 64 M 4.1728 7.8241 113.6551 56.7792 30.1612 184.2808 *67 W 4.6284 8.9676 111.6326 57.2713 31.2236 175.3982 68 K 4.6373 8.6467 121.2930 54.6558 34.7957 177.4453 69 D 4.4519 8.6555 121.6452 57.9827 40.7786 179.4391 70 I 3.6261 7.6827 117.9335 64.1212 37.8964 177.2040 71 E 3.9352 8.2226 117.6556 59.8885 29.4786 179.2142 72 L 4.3683 8.3350 118.5699 57.8471 41.6490 179.4544 73 E 4.0557 8.5119 118.9252 59.2463 29.4566 179.4863 74 K 4.0277 8.3149 118.6689 59.4321 31.7744 179.3797 75 M 4.1654 7.6412 118.4640 58.3305 32.0008 178.3994 76 K 4.1176 8.1652 116.8838 59.5436 32.3039 178.6370 77 A 4.2811 7.7983 119.7000 55.0004 18.9769 178.4985 78 G 4.6341 8.9579 108.8887 45.1724 0.0000 172.4008 79 G 4.4060 8.1054 107.4011 43.5693 0.0000 173.9859 80 N 4.5461 9.9143 121.2786 56.4393 38.6199 178.0472 81 A 4.2568 7.9897 122.2801 54.9439 18.4166 179.5202 82 K 4.0087 8.2217 117.8448 59.7765 32.2797 178.6977 83 F 3.4748 8.4039 120.9630 60.8472 39.1319 177.2424 84 R 3.7456 8.2921 118.4946 59.2558 29.7278 177.7935 85 E 3.8202 8.2194 118.1459 59.3803 29.7805 178.0448 86 F 4.1665 8.3450 120.4054 61.4914 39.5433 176.8776 87 L 3.9834 8.0622 118.4932 58.1213 41.2663 179.6151 88 E 2.5586 7.7731 116.7771 57.7347 29.3245 178.3957 89 S 4.4428 6.9836 112.2489 57.2938 64.3458 174.2947 90 Q 4.1336 7.1764 122.5442 55.3486 29.3429 176.6060 91 E 3.8643 8.9922 124.6675 59.8884 29.6787 178.0512 92 D 4.6753 7.9874 114.1138 52.6747 40.7710 178.0402 93 Y 3.4746 7.5612 120.0256 59.0696 39.1976 174.7865 94 D 3.8147 6.0500 125.1065 51.1043 42.7436 174.0860 95 P 3.8537 0.0000 0.0000 63.9267 31.6342 176.5538 96 C 4.4911 8.1299 116.8596 59.2276 28.0939 173.7359 97 W 4.6091 7.6166 120.5235 57.1217 29.1297 177.0070 98 S 4.5266 9.0367 117.9403 57.5696 64.9776 175.3568 99 L 4.0342 8.3458 122.5574 58.4730 41.7925 178.7571 100 Q 4.0696 8.0329 117.5569 58.9378 28.5190 178.3280 101 E 3.7728 7.6261 118.6125 58.9968 29.7534 178.8904 102 K 2.5550 7.7398 119.6722 59.5141 32.0325 178.3378 103 Y 4.1856 7.3038 114.1686 59.8268 37.9966 176.6571 104 N 4.7655 7.7923 116.2038 52.4551 39.3306 175.8407 105 S 4.3418 6.8687 117.1777 57.4963 65.3501 174.9900 106 R 3.9391 8.5892 122.3863 59.6535 29.8548 178.4663 107 A 4.2793 8.2578 119.7442 55.2881 18.3862 179.0820 108 A 4.3390 8.2422 118.9359 55.5046 18.5429 179.4003 109 A 4.0710 8.1764 119.1215 55.7638 18.4840 179.9507 110 L 4.0968 8.5819 117.5919 57.8957 41.6893 179.6273 111 F 3.7030 8.7077 120.7636 60.7930 39.2708 177.2377 112 R 3.6600 8.3802 118.2140 59.7617 29.9131 178.5775 113 D 4.2498 7.8902 117.6097 56.8117 40.7698 178.5577 114 K 3.6729 7.8450 120.2916 59.4927 32.0271 178.9923 115 V 3.2532 7.2148 118.1667 65.7832 31.5562 178.1182 116 V 3.4281 7.7186 117.8256 65.8755 31.1434 177.7789 117 A 3.9298 7.7244 119.0234 55.1772 18.3277 179.1805 118 L 4.0088 7.8827 116.2272 57.9667 41.7748 179.2319 119 A 4.1330 8.1900 120.0784 54.1748 18.3613 177.1640 120 E 4.1917 7.8656 118.3549 56.4216 29.7466 175.6661 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 3 S 8.19 4.45 0.00 3.67 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 4 P 0.00 4.24 0.00 2.21 2.10 0.00 3.56 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 5 R 8.73 3.91 0.00 1.81 1.94 0.00 3.28 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 6 T 8.13 3.95 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 0.65 0.00 0.00 7 R 9.16 3.87 0.00 1.63 1.97 0.00 3.28 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 8 K 7.72 4.06 0.00 1.70 1.83 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.33 7.81 9 V 7.81 3.76 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 1.05 0.00 0.00 0.93 0.00 0.00 10 L 8.37 4.09 0.00 1.81 1.72 0.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.35 4.17 0.00 1.77 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 12 E 8.15 4.28 0.00 2.05 1.90 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 2.26 2.19 0.00 13 V 8.11 4.01 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 1.34 0.00 0.00 1.07 0.00 0.00 14 R 7.98 2.79 0.00 1.73 1.70 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 15 V 7.23 3.70 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 0.75 0.00 0.00 0.96 0.00 0.00 16 Q 7.61 4.21 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 17 D 8.54 4.61 0.00 2.59 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 18 E 9.03 4.04 0.00 2.28 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 2.32 2.35 0.00 19 N 7.82 4.45 0.00 2.61 1.48 0.00 0.00 6.88 7.62 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 20 N 7.87 4.70 0.00 2.79 2.96 0.00 0.00 6.00 7.68 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 21 V 7.53 5.09 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 0.81 0.00 0.00 1.02 0.00 0.00 22 C 9.04 4.48 0.00 3.07 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 23 F 9.33 4.32 0.00 3.41 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 24 E 8.48 4.16 0.00 2.12 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 0.00 2.63 2.48 0.00 25 C 8.23 4.43 0.00 3.04 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 26 G 8.08 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 27 A 7.58 3.89 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 28 F 8.15 4.64 0.00 3.13 2.91 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 0.00 0.00 0.00 29 N 8.88 4.20 0.00 2.91 2.92 0.00 0.00 7.21 7.23 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 30 P 0.00 4.60 0.00 2.66 2.27 0.00 3.93 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 31 Q 9.00 4.52 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.60 2.37 0.00 32 W 8.43 5.11 0.00 3.56 3.12 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 0.00 33 V 8.51 4.83 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 0.01 0.00 0.00 0.97 0.00 0.00 34 S 8.67 4.72 0.00 3.73 3.76 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 35 V 8.88 3.60 2.27 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 0.94 0.00 0.00 0.79 0.00 0.00 36 T 7.86 3.57 3.47 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 0.51 0.00 0.00 37 Y 7.44 4.43 0.00 2.83 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 0.00 0.00 0.00 0.00 38 G 7.90 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 0.00 0.00 0.00 39 I 7.50 4.90 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 1.27 0.76 0.54 0.00 0.00 40 W 10.28 5.38 0.00 3.35 3.36 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 41 I 9.46 5.23 2.00 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 1.45 0.77 1.07 0.00 0.00 42 C 9.05 4.86 0.00 3.25 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 43 L 8.87 3.60 0.00 1.67 1.76 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.27 4.02 0.00 2.02 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 2.39 2.41 0.00 45 C 8.15 4.21 0.00 3.21 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 46 S 8.35 4.15 0.00 3.57 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 47 G 7.45 3.45 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 48 R 7.90 4.06 0.00 2.00 1.98 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 49 H 8.71 4.10 0.00 3.21 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.04 3.99 0.00 1.90 1.90 0.00 3.19 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 51 G 7.57 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 52 L 7.29 4.03 0.00 1.51 1.68 0.50 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.60 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 0.00 0.00 0.00 0.00 54 V 8.68 4.25 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 0.92 0.00 0.00 1.14 0.00 0.00 55 H 8.36 4.39 0.00 3.30 3.45 0.00 5.49 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.83 4.44 0.00 1.62 1.74 1.02 0.87 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 57 S 7.61 4.35 0.00 3.75 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 58 F 9.46 4.80 0.00 3.01 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 59 V 7.70 4.84 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 1.20 0.00 0.00 0.81 0.00 0.00 60 R 8.21 4.67 0.00 1.47 1.72 0.00 3.28 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 61 S 8.48 4.01 0.00 3.40 3.74 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 62 V 8.06 3.40 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 0.82 0.00 0.00 0.93 0.00 0.00 63 T 7.43 4.37 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 1.21 0.00 0.00 64 M 7.82 4.17 0.00 2.06 1.59 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 2.56 2.40 0.00 *67 W 8.97 4.63 0.00 3.25 3.29 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 68 K 8.65 4.64 0.00 1.88 1.70 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 69 D 8.66 4.45 0.00 2.77 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 70 I 7.68 3.63 1.84 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 1.57 1.16 0.84 0.00 0.00 71 E 8.22 3.94 0.00 2.23 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 2.23 2.32 0.00 72 L 8.34 4.37 0.00 1.96 1.79 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.51 4.06 0.00 2.12 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 2.62 2.50 0.00 74 K 8.31 4.03 0.00 1.97 1.95 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.51 7.81 75 M 7.64 4.17 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.08 0.00 76 K 8.17 4.12 0.00 1.93 1.92 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.71 7.81 77 A 7.80 4.28 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 78 G 8.96 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 79 G 8.11 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 80 N 9.91 4.55 0.00 3.10 3.26 0.00 0.00 7.06 7.55 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 81 A 7.99 4.26 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 0.00 0.00 0.00 0.00 0.00 82 K 8.22 4.01 0.00 2.01 2.08 0.00 1.90 0.00 0.00 2.21 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.96 1.74 7.81 83 F 8.40 3.47 0.00 2.81 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 84 R 8.29 3.75 0.00 2.20 2.10 0.00 3.17 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 85 E 8.22 3.82 0.00 2.29 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 0.00 2.33 2.21 0.00 86 F 8.35 4.17 0.00 3.44 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 87 L 8.06 3.98 0.00 1.64 1.61 0.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.77 2.56 0.00 1.73 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 1.60 1.93 0.00 89 S 6.98 4.44 0.00 3.84 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 90 Q 7.18 4.13 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.44 0.00 91 E 8.99 3.86 0.00 1.93 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 2.30 2.32 0.00 92 D 7.99 4.68 0.00 2.73 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 93 Y 7.56 3.47 0.00 3.09 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 94 D 6.05 3.81 0.00 1.74 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 95 P 0.00 3.85 0.00 2.08 2.07 0.00 2.94 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 96 C 8.13 4.49 0.00 2.91 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 97 W 7.62 4.61 0.00 3.37 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 98 S 9.04 4.53 0.00 4.09 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 99 L 8.35 4.03 0.00 1.85 1.77 1.18 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.03 4.07 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 101 E 7.63 3.77 0.00 1.84 1.74 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 2.37 2.32 0.00 102 K 7.74 2.56 0.00 1.73 1.50 0.00 1.41 0.00 0.00 0.95 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.64 1.35 7.81 103 Y 7.30 4.19 0.00 3.05 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 0.00 104 N 7.79 4.77 0.00 2.77 2.82 0.00 0.00 7.01 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 0.00 105 S 6.87 4.34 0.00 3.86 3.12 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 0.00 106 R 8.59 3.94 0.00 1.98 2.10 0.00 3.26 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 107 A 8.26 4.28 1.61 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 0.00 0.00 108 A 8.24 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.18 4.07 1.45 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 0.00 110 L 8.58 4.10 0.00 2.28 2.08 1.13 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.71 3.70 0.00 3.28 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 0.00 112 R 8.38 3.66 0.00 2.10 1.88 0.00 3.06 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.12 0.00 113 D 7.89 4.25 0.00 2.85 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 0.00 114 K 7.85 3.67 0.00 1.53 1.38 0.00 1.57 0.00 0.00 1.14 0.00 0.00 2.73 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.07 1.29 7.81 115 V 7.21 3.25 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 0.76 0.00 0.00 0.39 0.00 0.00 116 V 7.72 3.43 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 0.92 0.00 0.00 0.85 0.00 0.00 117 A 7.72 3.93 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 0.00 118 L 7.88 4.01 0.00 1.72 1.69 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.19 4.13 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 0.00 120 E 7.87 4.19 0.00 2.04 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 2.22 2.17 0.00 * Residues marked with a * may have inaccurate shift predictions.