NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.0578 8.1827 119.3903 57.3694 41.6402 176.6288 4 K 3.7283 8.2957 121.7709 58.5393 31.9289 176.6036 5 K 3.8545 8.2168 119.5417 59.7828 32.6528 178.3095 6 V 3.6654 7.9167 117.5376 65.7193 31.3012 177.7550 7 A 4.0526 8.3260 123.2990 55.5852 18.2933 180.3041 8 K 3.9406 8.0075 122.2313 60.1782 31.8110 181.0381 9 E 4.2614 8.2969 120.0002 59.2500 29.2268 179.7003 10 T 3.9284 7.9397 115.9228 66.4551 68.5898 176.7841 11 A 4.0066 8.2987 122.9679 55.0683 18.3494 179.9029 12 I 3.6569 7.9015 118.2995 64.8849 37.1980 178.4143 13 T 3.9050 7.8476 116.6239 66.9601 68.2727 176.2978 14 L 4.0369 8.2146 122.0387 58.0394 42.1868 178.7066 15 Q 3.9763 8.2019 119.7667 59.2332 28.9048 178.2397 16 S 4.1292 8.2695 114.2591 61.4956 62.4317 175.5122 17 Y 4.0379 8.3363 122.6162 60.5779 38.5304 177.8026 18 L 4.0718 8.4030 120.2025 57.7196 41.6728 179.4514 19 T 3.8368 7.7897 115.5552 66.6372 68.2754 175.9213 20 Y 3.8547 7.6417 121.0299 60.7920 38.7882 177.7348 21 Q 3.3972 7.7527 120.1821 59.0416 28.9196 178.3055 22 A 3.8850 7.8054 121.7864 55.0392 18.3939 179.8291 23 V 3.4882 7.5779 116.8978 65.9628 31.5292 178.2777 24 R 3.6932 7.8663 118.9480 59.0939 29.8600 178.3558 25 L 3.8783 7.9806 120.3553 58.2767 42.0745 179.0695 26 I 3.7510 7.9861 120.0519 64.1997 36.9829 178.3618 27 S 4.1040 8.2044 114.2227 61.3447 61.9654 176.2944 28 Q 3.9627 7.6270 119.3017 59.0294 28.9317 178.3678 29 Q 4.1385 7.9045 118.7969 59.2418 28.8421 179.2315 30 L 4.0862 8.3243 120.1746 57.5174 41.3537 179.6151 31 S 4.2080 7.9752 113.9293 60.4350 62.7490 174.8250 32 E 4.6049 7.7679 117.8556 56.0576 29.9189 176.1781 33 T 4.4869 7.7599 107.2165 62.9525 72.2435 173.9632 34 N 5.0250 8.1404 118.5757 49.5077 38.9660 172.6829 35 P 4.3388 0.0000 0.0000 65.6991 31.8471 178.2389 36 G 3.6469 8.0748 103.5468 48.1188 0.0000 175.4817 37 Q 4.0735 8.1542 120.4751 58.4339 28.1887 178.8703 38 A 4.0355 8.0833 121.7182 55.2224 18.4708 179.5679 39 I 3.6813 7.6705 117.8698 64.4537 37.2799 178.1555 40 W 4.3024 8.5287 129.1263 60.8268 30.1633 177.8198 41 L 3.8921 8.0946 119.3683 57.9661 41.3998 178.9490 42 G 3.6963 7.8111 104.7755 47.6555 0.0000 174.9573 43 E 3.8780 8.1395 122.1957 59.3365 29.4166 178.9914 44 F 3.6827 7.6403 120.0986 61.0666 39.0519 177.0761 45 S 4.5715 7.8256 115.5100 61.4008 62.7288 176.9115 46 K 4.1214 7.7610 126.3041 59.0985 31.4992 183.0288 47 R 4.4104 7.6354 115.4752 56.5229 31.1353 175.7919 48 H 4.6328 7.5333 114.1573 52.8224 31.0111 171.6138 49 P 4.3239 0.0000 0.0000 62.8490 31.4842 177.0856 50 I 3.7388 8.3005 122.2690 61.7383 38.2602 176.4148 51 Q 4.4289 7.8133 117.3081 58.5615 29.2198 177.2192 52 E 4.4456 7.5507 120.1289 54.6548 26.6588 176.6368 53 S 4.2057 7.9637 118.2181 61.6203 63.6506 176.4864 54 D 4.4356 8.0915 121.9916 57.0121 40.7156 178.5427 55 L 4.1120 7.9785 119.1240 57.7054 41.4051 178.8471 56 Y 4.1316 8.2504 119.1420 60.9270 38.9470 177.7883 57 L 4.2406 8.2188 118.3854 57.6990 41.7340 178.9450 58 E 4.3717 8.0136 117.4283 57.9087 30.6445 178.0530 59 A 4.2825 7.6821 121.2146 52.3836 15.8633 176.7706 *62 L 4.3284 7.8979 121.4023 53.9172 44.2620 177.6625 63 E 4.5143 8.2683 115.7672 57.5003 31.2053 176.1895 64 N 4.6887 7.4220 118.2109 51.0300 39.8675 174.2659 65 K 4.0355 8.2831 124.2539 58.5353 32.4271 178.1962 66 E 3.8800 8.0649 119.4872 59.3658 29.6767 178.7617 67 L 4.0425 7.9162 118.4168 57.4569 41.5918 179.7838 68 V 3.5916 7.4434 117.5670 66.0306 31.4242 178.1057 69 L 4.0306 7.7582 118.2517 57.7268 41.3285 179.7297 70 R 3.9070 7.9046 117.6967 59.4178 30.0525 179.0838 71 I 3.7007 7.9097 119.5273 64.4260 36.6178 178.4831 72 L 4.0358 8.0792 120.0264 57.9201 41.4383 179.7332 73 T 3.9795 7.7762 109.5340 64.7050 68.8890 177.0175 74 V 3.5823 8.0311 121.7372 65.6109 31.5767 178.1271 75 R 3.8909 8.1493 115.8851 59.3509 29.2209 178.4062 76 E 4.0390 7.9541 118.6663 58.8272 29.7232 178.4113 77 N 4.3974 8.2655 116.8508 56.0177 38.6709 177.4122 78 L 3.9367 8.1985 120.3474 57.6730 41.7316 178.9219 79 A 4.0345 7.9970 120.6843 55.7495 18.0698 179.6180 80 E 4.0665 8.0133 115.1447 59.4678 29.5680 179.6742 81 G 3.7453 7.9946 104.9959 46.9444 0.0000 175.0005 82 V 4.2070 7.6710 119.0407 64.0568 32.8735 177.3820 83 L 4.0126 8.3573 118.7414 58.4339 41.3268 179.7977 84 E 3.8182 7.8396 116.9624 59.3252 29.7523 178.6553 85 F 4.4889 8.1187 115.3969 58.5596 39.6583 177.1478 86 L 4.2045 8.5331 121.0816 57.2286 41.9588 176.7145 87 P 4.3228 0.0000 0.0000 66.5026 31.6100 180.5034 88 E 3.9763 8.0284 111.0528 56.4188 29.2140 180.8807 *90 V 4.0548 7.9210 121.6813 63.7388 33.5802 177.3344 91 L 3.9377 7.8580 121.0463 57.9517 41.8431 178.8905 92 S 4.2864 8.0759 113.8966 60.9547 63.1813 176.3607 93 Q 4.0213 8.0691 121.2580 58.9909 28.3343 178.7783 94 I 3.7874 8.0943 121.0847 63.9493 37.0915 178.5865 95 K 3.9944 8.0596 121.4393 60.3560 32.0093 179.9913 96 Q 4.0263 8.0933 120.7841 60.2248 27.8267 180.7656 97 S 4.2299 7.8848 114.1565 61.4011 62.5325 175.6963 98 N 4.4050 8.4346 119.6802 56.5765 38.4527 177.5401 99 G 3.6248 8.2297 106.7670 47.9790 0.0000 175.5098 100 N 4.4026 8.2221 118.7951 55.9916 38.3165 177.1562 101 H 4.4555 7.9999 117.2307 58.5454 28.7448 177.7129 102 R 3.9366 7.9163 119.7881 59.4970 29.9989 179.0738 103 R 4.0534 8.0084 118.0478 59.0640 29.8264 178.6557 104 S 4.2003 7.7044 113.3398 61.4219 63.1195 175.4456 105 L 3.9211 7.5900 123.5158 57.4977 41.7729 178.0478 106 L 4.0404 7.5592 119.9807 58.2213 42.2996 176.9118 107 E 4.1446 7.8926 121.7565 56.2992 29.5892 175.6710 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 F 8.18 5.06 0.00 3.16 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 4 K 8.30 3.73 0.00 1.97 1.83 0.00 1.64 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.64 7.81 5 K 8.22 3.85 0.00 1.87 1.81 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.51 7.81 6 V 7.92 3.67 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 1.03 0.00 0.00 0.99 0.00 0.00 7 A 8.33 4.05 1.46 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 0.00 0.00 0.00 8 K 8.01 3.94 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 9 E 8.30 4.26 0.00 2.04 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 2.34 2.36 0.00 10 T 7.94 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 1.20 0.00 0.00 11 A 8.30 4.01 1.39 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 12 I 7.90 3.66 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 1.54 0.89 0.93 0.00 0.00 13 T 7.85 3.90 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 1.20 0.00 0.00 14 L 8.21 4.04 0.00 1.98 1.86 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.20 3.98 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 16 S 8.27 4.13 0.00 3.97 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 17 Y 8.34 4.04 0.00 3.20 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 18 L 8.40 4.07 0.00 1.77 1.72 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.79 3.84 4.38 0.00 0.00 0.00 0.00 0.00 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 20 Y 7.64 3.85 0.00 2.79 2.79 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 21 Q 7.75 3.40 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 22 A 7.81 3.89 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 23 V 7.58 3.49 2.10 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 1.02 0.00 0.00 1.02 0.00 0.00 24 R 7.87 3.69 0.00 1.31 1.69 0.00 2.96 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 25 L 7.98 3.88 0.00 1.86 1.69 0.89 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.99 3.75 1.91 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 1.40 0.59 0.92 0.00 0.00 27 S 8.20 4.10 0.00 4.10 3.83 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 28 Q 7.63 3.96 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 29 Q 7.90 4.14 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 30 L 8.32 4.09 0.00 1.72 1.74 0.95 0.79 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 31 S 7.98 4.21 0.00 4.04 4.20 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 32 E 7.77 4.60 0.00 2.12 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 2.46 2.21 0.00 33 T 7.76 4.49 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 1.21 0.00 0.00 34 N 8.14 5.03 0.00 2.73 2.74 0.00 0.00 7.00 7.57 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 35 P 0.00 4.34 0.00 2.16 2.14 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 36 G 8.07 3.65 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 0.00 0.00 0.00 37 Q 8.15 4.07 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 38 A 8.08 4.04 1.39 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 39 I 7.67 3.68 2.10 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.97 0.00 0.00 40 W 8.53 4.30 0.00 3.50 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 41 L 8.09 3.89 0.00 2.10 1.97 0.97 1.23 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 42 G 7.81 3.70 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 0.00 0.00 0.00 43 E 8.14 3.88 0.00 2.18 1.88 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 2.31 2.34 0.00 44 F 7.64 3.68 0.00 1.89 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 45 S 7.83 4.57 0.00 4.00 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 46 K 7.76 4.12 0.00 1.88 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 47 R 7.64 4.41 0.00 1.52 1.80 0.00 3.03 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 48 H 7.53 4.63 0.00 2.65 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.32 0.00 2.20 1.99 0.00 3.61 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 2.11 2.06 0.00 50 I 8.30 3.74 1.49 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.36 0.83 0.00 0.00 51 Q 7.81 4.43 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.19 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 52 E 7.55 4.45 0.00 2.17 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 0.00 2.31 2.38 0.00 53 S 7.96 4.21 0.00 4.03 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 0.00 54 D 8.09 4.44 0.00 2.76 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 55 L 7.98 4.11 0.00 1.98 1.81 0.96 0.82 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 56 Y 8.25 4.13 0.00 3.20 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 57 L 8.22 4.24 0.00 1.77 1.81 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.01 4.37 0.00 2.08 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 0.00 2.37 2.53 0.00 59 A 7.68 4.28 1.46 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 0.00 0.00 0.00 *62 L 7.90 4.33 0.00 1.94 1.84 0.95 0.99 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 63 E 8.27 4.51 0.00 2.08 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 0.00 2.35 2.47 0.00 64 N 7.42 4.69 0.00 2.03 2.37 0.00 0.00 7.18 6.57 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 65 K 8.28 4.04 0.00 1.79 1.82 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.46 7.81 66 E 8.06 3.88 0.00 1.96 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 2.34 2.36 0.00 67 L 7.92 4.04 0.00 1.73 1.74 0.96 1.00 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 68 V 7.44 3.59 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 1.05 0.00 0.00 0.99 0.00 0.00 69 L 7.76 4.03 0.00 1.86 1.70 0.91 1.02 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 70 R 7.90 3.91 0.00 2.00 1.98 0.00 3.12 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 1.64 1.66 0.00 71 I 7.91 3.70 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.95 0.00 0.00 72 L 8.08 4.04 0.00 1.84 1.73 0.94 0.45 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 73 T 7.78 3.98 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 1.28 0.00 0.00 74 V 8.03 3.58 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 1.09 0.00 0.00 0.94 0.00 0.00 75 R 8.15 3.89 0.00 2.08 2.37 0.00 3.00 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 76 E 7.95 4.04 0.00 2.19 2.15 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 2.31 2.36 0.00 77 N 8.27 4.40 0.00 2.92 2.85 0.00 0.00 6.93 6.35 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 78 L 8.20 3.94 0.00 2.00 1.72 0.90 0.86 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 79 A 8.00 4.03 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 0.00 0.00 80 E 8.01 4.07 0.00 2.02 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 2.48 2.49 0.00 81 G 7.99 3.75 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 0.00 0.00 0.00 82 V 7.67 4.21 2.35 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 1.12 0.00 0.00 0.90 0.00 0.00 83 L 8.36 4.01 0.00 1.89 1.75 0.96 0.80 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 84 E 7.84 3.82 0.00 1.97 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 0.00 2.23 2.38 0.00 85 F 8.12 4.49 0.00 3.13 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 86 L 8.53 4.20 0.00 1.62 1.75 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.32 0.00 2.15 2.08 0.00 3.70 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 88 E 8.03 3.98 0.00 1.89 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 0.00 2.32 1.87 0.00 *90 V 7.92 4.05 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 0.95 0.00 0.00 0.95 0.00 0.00 91 L 7.86 3.94 0.00 1.81 1.78 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.08 4.29 0.00 4.12 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 93 Q 8.07 4.02 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 94 I 8.09 3.79 2.06 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.67 0.90 0.00 0.00 95 K 8.06 3.99 0.00 1.97 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 96 Q 8.09 4.03 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 97 S 7.88 4.23 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 98 N 8.43 4.41 0.00 3.07 2.88 0.00 0.00 6.95 8.47 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 99 G 8.23 3.62 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 0.00 0.00 0.00 100 N 8.22 4.40 0.00 2.75 2.82 0.00 0.00 7.03 7.50 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 0.00 101 H 8.00 4.46 0.00 3.43 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.92 3.94 0.00 1.89 2.00 0.00 3.22 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 103 R 8.01 4.05 0.00 2.21 1.97 0.00 3.09 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 104 S 7.70 4.20 0.00 4.08 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 0.00 105 L 7.59 3.92 0.00 1.59 1.87 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.56 4.04 0.00 1.70 1.88 0.92 0.99 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 0.00 107 E 7.89 4.14 0.00 1.99 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 2.30 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.