NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 V 4.0270 8.0544 120.3932 62.3773 32.6240 178.4887 9 V 3.5482 8.7236 115.9965 61.0639 31.6728 173.7492 10 F 4.0569 8.8194 128.1268 58.4851 40.5883 175.4206 11 S 4.1907 8.1706 122.7052 58.2697 64.7674 174.7805 12 E 3.8398 8.6030 123.4313 59.6816 29.4851 179.1676 13 E 3.9276 7.8992 118.1172 59.0550 29.5267 179.3105 14 K 3.6591 7.6321 118.6562 59.1124 31.9761 178.8074 15 E 3.9677 7.8848 119.4418 59.3898 29.4939 178.7087 16 A 3.9816 7.8812 120.5399 55.1722 18.5524 179.6013 17 L 3.9208 7.6848 116.9439 57.8997 41.6482 179.9165 18 V 3.2686 7.7844 118.1439 65.9018 31.4452 178.0232 19 L 4.1542 8.5431 119.2400 57.8113 41.0518 179.7095 20 K 4.1881 8.2459 118.8980 59.5723 32.6466 179.5362 21 S 4.1949 8.2889 115.4784 61.3247 63.2408 176.3474 22 W 4.6686 9.0286 132.2867 59.8817 30.1967 177.5047 23 A 3.8564 8.0522 120.3503 55.2862 17.8835 179.5210 24 I 3.8249 7.3654 117.5438 64.9395 37.3361 178.6763 25 M 4.1383 8.2289 119.4586 58.1311 31.5449 178.5904 26 K 2.9091 7.6782 119.4419 59.0113 32.1450 178.3387 27 K 4.2176 7.4019 116.8401 57.7072 32.2087 176.8829 28 D 4.8460 8.0976 118.8364 52.9436 42.4363 177.0479 29 S 4.4104 8.5189 115.6265 61.0492 62.7049 175.6500 30 A 3.9767 7.9961 123.6847 55.0771 18.1658 178.8570 31 N 4.1864 8.0564 114.8126 56.8007 39.0192 176.8982 32 L 3.7826 7.9505 120.3898 57.5367 41.6734 179.4378 33 G 3.7982 7.8472 105.9321 47.9123 0.0000 175.3351 34 L 4.0062 7.7980 122.7548 57.8664 42.0813 179.0140 35 R 3.8788 8.1416 118.2832 59.2614 30.0110 178.6184 36 F 4.5728 8.3300 121.8303 61.0279 39.4206 177.2826 37 F 3.1204 8.2949 117.1751 60.1232 38.5436 177.7063 38 L 4.1255 8.2586 119.0092 57.6144 41.3999 179.5047 39 K 3.9134 8.2285 119.8135 59.3314 32.0430 178.7278 40 I 3.4964 7.2952 120.1141 64.6450 36.5145 178.3688 41 F 4.7195 7.5769 117.7225 59.8922 38.4946 177.6412 42 E 4.0006 8.1737 119.0807 59.3546 29.5430 178.5933 43 I 4.0494 7.7423 118.4132 62.8757 38.7070 176.4371 44 A 4.6974 8.1807 123.0492 48.2289 18.9557 174.0123 45 P 4.5306 0.0000 0.0000 64.5969 31.8510 178.0348 46 S 4.1896 8.2029 112.0350 61.1991 62.8599 176.1643 47 A 4.1526 8.2719 124.5855 54.9875 18.0504 179.2504 48 R 3.2027 7.9939 117.5059 59.7214 29.7745 178.4815 49 Q 4.0971 7.7415 115.5187 58.2684 28.7500 177.8721 50 M 4.3091 7.8345 119.0242 55.9118 32.2428 176.5256 51 F 4.1176 7.7410 118.9470 55.0571 39.8364 174.3084 52 P 4.2479 0.0000 0.0000 65.7082 31.1092 178.1203 53 F 4.5392 7.9927 109.5831 58.4926 38.0760 175.2380 54 L 4.5654 7.7911 119.0379 55.1566 43.5475 178.2538 55 R 4.1735 7.4654 116.4393 57.6521 30.0131 176.7890 56 D 4.4833 7.6112 118.5432 53.4158 41.1178 175.8807 57 S 3.9733 8.7988 116.4778 59.4668 62.2538 174.6281 58 D 4.1510 8.1046 130.6156 54.2594 38.2276 174.7458 59 V 4.1515 7.1680 119.6451 61.3040 33.1758 173.5188 60 P 4.4083 0.0000 0.0000 62.4430 32.0483 176.8943 61 L 3.9781 8.8326 121.6399 58.2893 41.6473 179.4952 62 E 4.1765 8.2591 115.7725 58.7351 29.5410 177.7119 63 T 4.3301 7.5980 113.5195 63.6012 70.9861 173.5829 64 N 4.1914 7.7443 118.6439 53.4406 39.4850 173.3106 65 P 4.2577 0.0000 0.0000 65.9306 31.4303 178.5318 66 K 3.7491 8.0041 117.7790 58.8024 31.9047 178.8997 67 L 3.9199 8.0879 120.8408 57.8626 42.0964 179.0473 68 K 3.8457 7.7527 118.0119 59.9231 32.0775 179.4363 69 T 3.8126 7.4812 115.8251 66.6918 68.2853 176.3276 70 H 3.9250 8.0921 119.9200 59.1407 29.8483 177.0012 71 A 3.1011 8.1128 122.8286 55.0757 18.0705 179.8382 72 V 3.7041 7.6829 116.4076 65.9969 31.6183 178.0165 73 S 4.1154 7.8798 112.5498 61.5580 62.2200 176.5271 74 V 3.7278 7.9932 120.7847 65.9142 31.3297 177.6227 75 F 4.2943 8.9272 120.8833 61.4533 39.2851 177.1998 76 V 3.4359 8.2426 117.8711 66.1434 31.3278 177.3470 77 M 3.9444 8.0900 117.8711 59.1823 32.0157 178.4029 78 T 3.8087 7.8298 115.5017 66.9103 68.5685 176.6578 79 C 3.9860 7.5896 118.6524 62.5186 27.9119 176.0737 80 E 3.6321 8.0809 120.4439 58.9943 28.7876 178.9863 81 A 3.9363 7.7228 119.7481 55.2308 18.7689 179.2394 82 A 3.6235 7.7516 118.8087 55.1220 18.1867 179.7400 83 A 3.9550 7.7296 117.9734 54.1854 18.7454 178.7258 84 Q 4.4059 7.5859 114.8220 55.5966 29.2434 177.3291 85 L 3.8798 7.3825 122.7826 58.1042 41.8981 178.8081 86 R 3.9284 7.8651 116.6315 59.3022 30.2547 177.2776 87 K 3.9961 7.9749 117.7762 59.3852 32.1150 177.4108 88 A 4.0985 8.6305 120.9154 52.4063 18.8156 178.8922 89 G 3.9944 8.7039 103.4082 45.2620 0.0000 172.9403 90 K 4.2904 7.0032 116.8291 55.7421 35.5105 174.9107 91 I 3.8465 8.1037 120.6771 61.2570 37.4944 175.9883 92 T 4.6946 8.1495 114.0104 59.7424 71.5565 173.5580 93 V 4.3996 8.1275 115.9722 59.5399 35.0005 174.9520 94 R 4.3884 8.4836 123.8011 56.1082 31.1895 176.4024 95 E 4.1663 9.3135 123.1989 56.7381 28.4519 174.4536 96 T 4.5559 7.3007 108.6620 60.1667 70.5008 173.3216 97 T 4.7255 8.1503 115.0197 61.3444 73.9682 174.5266 98 L 3.9857 8.5243 124.0306 57.7727 41.7323 179.8619 99 K 4.1010 7.9920 119.3313 59.3489 32.2241 179.0707 100 R 3.9560 7.8339 118.0105 59.1287 30.0819 178.6499 101 L 4.2133 8.3094 119.2089 57.8270 41.6154 179.7214 102 G 3.9129 7.8584 107.1129 47.1722 0.0000 175.5808 103 G 3.8020 8.1168 108.6777 47.9166 0.0000 175.7755 104 T 4.0306 8.0583 118.4895 66.7078 68.4257 176.6680 105 H 4.2817 8.5712 118.2376 58.5362 28.7534 177.6277 106 L 4.0014 8.3249 122.4928 58.1641 41.7213 179.2022 107 K 3.9358 7.9743 117.1967 59.3765 32.0526 178.0095 108 Y 4.2826 7.9261 113.9448 57.0439 38.0004 175.6256 109 G 3.8353 7.8691 107.6426 46.4422 0.0000 174.4508 110 V 3.4651 8.1207 120.1001 62.2260 32.1382 175.1977 111 A 4.8826 8.5387 129.1273 50.0638 22.0056 176.5497 112 D 4.8036 8.9156 118.6131 58.0003 40.7110 179.7286 113 G 3.7001 8.1218 105.4874 45.7682 0.0000 175.3603 114 H 4.2221 8.0179 118.1565 58.9760 28.7725 177.9663 115 F 4.5537 8.1995 118.9798 60.3941 38.8477 177.6129 116 E 4.1228 8.5188 118.5812 59.4993 29.2757 179.3427 117 V 3.7564 7.9044 118.2474 66.5125 31.5019 178.2373 118 T 3.9156 8.1888 115.4331 66.3002 68.2161 176.5670 119 R 2.8524 8.1628 120.7955 59.1980 30.0087 178.2382 120 F 3.9765 8.1846 119.8708 61.3235 39.3996 176.8815 121 A 4.0191 8.5556 120.7487 54.9602 18.0749 179.3353 122 L 3.3442 8.3495 119.2275 58.2213 42.1289 179.3034 123 L 3.9019 7.7941 118.9125 57.6965 41.5149 179.3066 124 E 3.5957 7.8508 118.6121 59.5225 29.4320 179.6105 125 T 3.6762 7.6467 115.6297 66.4974 68.5134 176.6959 126 I 3.4479 7.6494 122.0058 64.2199 36.9743 178.0558 127 K 2.4800 7.2431 120.1774 59.3091 31.5181 178.2201 128 E 3.9340 7.5455 115.7550 57.8043 29.5529 177.8748 129 A 4.3584 7.5014 119.3319 51.2384 19.7414 176.6420 130 L 4.8039 6.7092 116.8616 51.5105 44.8142 174.7733 131 P 4.2373 0.0000 0.0000 62.9240 31.9714 177.5253 132 A 4.0860 8.7875 125.0512 55.1154 18.5047 179.3776 133 D 4.4999 8.1831 114.3238 56.1427 39.5282 177.1218 134 M 4.3301 8.1232 118.1210 55.4688 32.6773 175.9119 135 W 4.7536 8.3586 128.2105 55.1851 32.4814 175.3092 136 G 4.0229 6.2773 111.0552 43.3714 0.0000 171.6645 137 P 4.0817 0.0000 0.0000 65.5475 30.8780 178.5308 138 E 3.7948 7.8483 117.9489 59.3921 29.4843 178.5845 139 M 3.9098 7.6181 117.5264 58.6782 32.2981 177.8907 140 R 3.7712 6.9810 118.5727 59.5741 30.1136 178.2391 141 N 4.3830 8.2010 115.9500 56.0677 38.5697 177.2014 142 A 3.9538 8.2175 122.5308 55.0999 18.4001 179.8413 143 W 4.1560 8.3192 117.5405 59.8733 29.1259 179.1491 144 G 3.7565 8.8191 106.1958 47.8741 0.0000 175.6575 145 E 4.0593 8.8401 121.0980 59.1270 29.5274 179.2727 146 A 3.6212 8.0723 120.7604 55.0928 18.3220 178.8904 147 Y 4.0099 8.3285 118.2599 61.1442 38.7789 178.1633 148 D 4.3134 8.5649 119.8351 57.5985 40.9076 178.9111 149 Q 3.8843 8.2322 118.5788 58.5981 28.6000 178.6308 150 L 3.7460 7.7268 121.4169 58.1647 42.1296 179.2821 151 V 3.0991 7.5480 118.1951 65.6069 31.2924 177.8160 152 A 3.8499 8.1046 120.7511 54.9333 17.9393 179.5085 153 A 3.8821 7.6118 118.5248 55.2480 18.7309 179.6835 154 I 3.7910 7.7526 118.3830 64.4992 37.1319 178.8045 155 K 3.9657 8.2241 119.7081 59.5554 31.5784 179.2419 156 Q 4.0537 7.8762 117.5514 58.3946 28.3876 177.8772 157 E 4.5652 7.9923 117.7606 56.2319 29.5903 176.8125 158 M 4.6212 8.1426 117.8474 54.9570 33.1103 175.3735 159 K 4.7318 7.4953 116.9739 53.3155 35.9624 173.9387 160 P 4.2707 0.0000 0.0000 63.2197 31.8897 176.8209 161 A 4.0901 8.5352 122.1444 52.9195 18.6359 177.2446 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 8 V 8.05 4.03 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 0.95 0.00 0.00 0.93 0.00 0.00 9 V 8.72 3.55 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 0.82 0.00 0.00 0.94 0.00 0.00 10 F 8.82 4.06 0.00 2.80 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 11 S 8.17 4.19 0.00 3.95 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 12 E 8.60 3.84 0.00 2.00 1.93 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 2.34 2.38 0.00 13 E 7.90 3.93 0.00 1.92 1.87 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 2.33 2.32 0.00 14 K 7.63 3.66 0.00 0.95 0.74 0.00 1.27 0.00 0.00 1.18 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.11 7.81 15 E 7.88 3.97 0.00 2.08 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 2.33 2.40 0.00 16 A 7.88 3.98 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 17 L 7.68 3.92 0.00 1.81 1.71 0.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.78 3.27 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 0.50 0.00 0.00 0.38 0.00 0.00 19 L 8.54 4.15 0.00 1.73 1.78 0.96 0.94 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 20 K 8.25 4.19 0.00 2.07 2.12 0.00 1.37 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.70 1.55 7.81 21 S 8.29 4.19 0.00 4.48 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 0.00 22 W 9.03 4.67 0.00 3.79 3.39 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 23 A 8.05 3.86 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 24 I 7.37 3.82 2.07 0.00 0.00 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 1.54 0.78 0.92 0.00 0.00 25 M 8.23 4.14 0.00 2.46 2.54 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.64 0.00 26 K 7.68 2.91 0.00 0.79 1.17 0.00 1.64 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.10 0.98 7.81 27 K 7.40 4.22 0.00 1.80 1.79 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.32 7.81 28 D 8.10 4.85 0.00 2.66 2.50 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 0.00 29 S 8.52 4.41 0.00 4.59 4.48 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 30 A 8.00 3.98 1.35 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 0.00 0.00 0.00 31 N 8.06 4.19 0.00 2.81 3.18 0.00 0.00 7.10 6.66 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 32 L 7.95 3.78 0.00 1.20 0.79 0.99 0.59 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 33 G 7.85 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 0.00 0.00 0.00 34 L 7.80 4.01 0.00 1.79 1.81 0.95 0.99 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 35 R 8.14 3.88 0.00 1.93 1.92 0.00 3.09 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 36 F 8.33 4.57 0.00 2.82 3.32 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 37 F 8.29 3.12 0.00 3.03 2.86 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 38 L 8.26 4.13 0.00 1.83 1.75 0.94 1.35 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 39 K 8.23 3.91 0.00 1.91 1.96 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.56 7.81 40 I 7.30 3.50 0.94 0.00 0.00 -0.67 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 -0.04 0.54 0.00 0.00 41 F 7.58 4.72 0.00 3.07 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 42 E 8.17 4.00 0.00 2.09 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 2.35 2.38 0.00 43 I 7.74 4.05 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.87 0.00 0.00 44 A 8.18 4.70 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 45 P 0.00 4.53 0.00 2.19 2.16 0.00 3.92 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 46 S 8.20 4.19 0.00 4.07 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 47 A 8.27 4.15 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.20 0.00 1.44 1.80 0.00 2.93 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.94 0.00 49 Q 7.74 4.10 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 50 M 7.83 4.31 0.00 1.66 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 51 F 7.74 4.12 0.00 2.53 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 52 P 0.00 4.25 0.00 2.27 2.22 0.00 3.46 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 F 7.99 4.54 0.00 3.12 3.17 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 54 L 7.79 4.57 0.00 1.63 1.43 0.31 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.47 4.17 0.00 1.74 1.95 0.00 3.13 0.00 0.00 3.46 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 56 D 7.61 4.48 0.00 2.85 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 57 S 8.80 3.97 0.00 3.99 4.07 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 58 D 8.10 4.15 0.00 2.87 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 59 V 7.17 4.15 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 0.82 0.00 0.00 0.96 0.00 0.00 60 P 0.00 4.41 0.00 2.36 2.16 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 61 L 8.83 3.98 0.00 1.77 1.87 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.26 4.18 0.00 1.94 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 2.33 2.42 0.00 63 T 7.60 4.33 4.37 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 1.21 0.00 0.00 64 N 7.74 4.19 0.00 2.95 2.80 0.00 0.00 6.81 7.59 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 65 P 0.00 4.26 0.00 2.26 2.27 0.00 3.75 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 2.04 2.04 0.00 66 K 8.00 3.75 0.00 1.60 1.27 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.42 7.81 67 L 8.09 3.92 0.00 1.95 1.86 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.75 3.85 0.00 1.94 1.81 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.62 7.81 69 T 7.48 3.81 4.21 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 1.15 0.00 0.00 70 H 8.09 3.93 0.00 2.86 3.16 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.11 3.10 1.18 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 0.00 0.00 72 V 7.68 3.70 2.13 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 1.19 0.00 0.00 1.08 0.00 0.00 73 S 7.88 4.12 0.00 4.01 4.03 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 74 V 7.99 3.73 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 1.37 0.00 0.00 0.97 0.00 0.00 75 F 8.93 4.29 0.00 3.57 3.33 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 0.00 0.00 0.00 76 V 8.24 3.44 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 1.05 0.00 0.00 1.28 0.00 0.00 77 M 8.09 3.94 0.00 2.32 2.16 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 2.61 2.61 0.00 78 T 7.83 3.81 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 1.30 0.00 0.00 79 C 7.59 3.99 0.00 1.23 1.22 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 80 E 8.08 3.63 0.00 1.93 1.93 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 2.43 2.36 0.00 81 A 7.72 3.94 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 82 A 7.75 3.62 0.91 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 0.00 0.00 83 A 7.73 3.96 1.30 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 0.00 0.00 0.00 84 Q 7.59 4.41 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 85 L 7.38 3.88 0.00 1.51 1.14 0.78 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 86 R 7.87 3.93 0.00 2.15 2.04 0.00 3.59 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 87 K 7.97 4.00 0.00 1.76 1.82 0.00 1.83 0.00 0.00 1.93 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 88 A 8.63 4.10 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 89 G 8.70 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.00 4.29 0.00 1.75 1.73 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.31 7.81 91 I 8.10 3.85 1.78 0.00 0.00 0.67 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 0.78 0.82 0.00 0.00 92 T 8.15 4.69 4.21 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 1.23 0.00 0.00 93 V 8.13 4.40 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 0.71 0.00 0.00 0.93 0.00 0.00 94 R 8.48 4.39 0.00 1.76 1.83 0.00 3.31 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 95 E 9.31 4.17 0.00 2.21 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 0.00 2.20 2.30 0.00 96 T 7.30 4.56 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 1.25 0.00 0.00 97 T 8.15 4.73 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 1.28 0.00 0.00 98 L 8.52 3.99 0.00 1.68 1.71 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.99 4.10 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.67 7.81 100 R 7.83 3.96 0.00 2.08 2.00 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 101 L 8.31 4.21 0.00 1.88 1.85 0.96 1.25 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 0.00 102 G 7.86 3.91 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 0.00 0.00 0.00 103 G 8.12 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 0.00 0.00 0.00 104 T 8.06 4.03 4.43 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 1.25 0.00 0.00 105 H 8.57 4.28 0.00 3.48 3.50 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.32 4.00 0.00 1.96 1.86 1.03 0.54 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 0.00 107 K 7.97 3.94 0.00 2.01 1.58 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 108 Y 7.93 4.28 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 0.00 109 G 7.87 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 0.00 110 V 8.12 3.47 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 0.09 0.00 0.00 0.84 0.00 0.00 111 A 8.54 4.88 1.30 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 0.00 0.00 0.00 112 D 8.92 4.80 0.00 2.78 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 0.00 113 G 8.12 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 0.00 114 H 8.02 4.22 0.00 3.23 3.20 0.00 5.82 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 0.00 115 F 8.20 4.55 0.00 3.34 3.15 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 0.00 116 E 8.52 4.12 0.00 2.27 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 2.44 2.62 0.00 117 V 7.90 3.76 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 1.13 0.00 0.00 0.93 0.00 0.00 118 T 8.19 3.92 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 1.44 0.00 0.00 119 R 8.16 2.85 0.00 1.94 2.14 0.00 3.29 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.30 0.00 120 F 8.18 3.98 0.00 3.24 3.21 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 0.00 121 A 8.56 4.02 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 0.00 122 L 8.35 3.34 0.00 1.35 1.48 0.07 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.79 3.90 0.00 1.54 1.76 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.85 3.60 0.00 1.74 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 1.49 2.01 0.00 125 T 7.65 3.68 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 1.07 0.00 0.00 126 I 7.65 3.45 1.70 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.60 0.00 0.00 127 K 7.24 2.48 0.00 0.79 1.28 0.00 1.02 0.00 0.00 1.21 0.00 0.00 2.70 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.74 0.21 7.81 128 E 7.55 3.93 0.00 1.89 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 2.17 2.18 0.00 129 A 7.50 4.36 1.28 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 0.00 0.00 0.00 130 L 6.71 4.80 0.00 1.62 1.67 1.22 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 131 P 0.00 4.24 0.00 2.22 2.02 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 132 A 8.79 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.18 4.50 0.00 2.84 2.86 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 0.00 134 M 8.12 4.33 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 135 W 8.36 4.75 0.00 3.33 3.01 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 0.00 136 G 6.28 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 0.00 0.00 0.00 137 P 0.00 4.08 0.00 2.19 2.25 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 138 E 7.85 3.79 0.00 1.88 1.93 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 2.29 2.23 0.00 139 M 7.62 3.91 0.00 1.62 2.05 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.94 0.00 140 R 6.98 3.77 0.00 1.49 1.65 0.00 3.22 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 141 N 8.20 4.38 0.00 2.89 2.82 0.00 0.00 6.93 7.48 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 0.00 142 A 8.22 3.95 1.24 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 0.00 0.00 0.00 143 W 8.32 4.16 0.00 3.53 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 0.00 144 G 8.82 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 0.00 0.00 0.00 145 E 8.84 4.06 0.00 2.29 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 0.00 2.40 2.54 0.00 146 A 8.07 3.62 0.91 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 0.00 0.00 147 Y 8.33 4.01 0.00 3.21 3.26 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 0.00 148 D 8.56 4.31 0.00 2.92 2.72 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 0.00 149 Q 8.23 3.88 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 150 L 7.73 3.75 0.00 1.61 1.60 0.83 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 151 V 7.55 3.10 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 0.15 0.00 0.00 0.16 0.00 0.00 152 A 8.10 3.85 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 0.00 153 A 7.61 3.88 1.30 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 0.00 0.00 0.00 154 I 7.75 3.79 1.81 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.98 0.00 0.00 155 K 8.22 3.97 0.00 1.77 1.80 0.00 1.45 0.00 0.00 1.55 0.00 0.00 3.20 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.30 1.18 7.81 156 Q 7.88 4.05 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 157 E 7.99 4.57 0.00 2.20 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 2.25 2.58 0.00 158 M 8.14 4.62 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.79 0.00 159 K 7.50 4.73 0.00 1.69 1.69 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.35 7.81 160 P 0.00 4.27 0.00 2.04 1.99 0.00 3.83 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 161 A 8.54 4.09 1.28 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 0.00 0.00 0.00