NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3434 8.2549 120.8605 55.5800 31.2523 175.4866 3 R 3.7564 8.9578 125.0349 57.9837 29.1922 177.5832 4 R 4.0740 9.0790 119.2761 56.7989 32.5731 175.8865 5 V 4.3299 8.0544 120.2216 61.3839 33.2451 175.1457 6 I 4.7288 8.1147 125.4723 59.6571 41.1931 176.4275 7 G 4.1861 8.0389 111.3408 45.5067 0.0000 176.0466 8 Q 4.4891 8.6175 125.2249 53.5460 30.7233 174.4003 9 R 4.1382 8.4553 125.5226 54.9833 30.0972 175.8327 10 K 3.9521 8.6327 127.0253 56.9038 32.6978 175.7144 11 I 4.5252 7.9439 125.6295 59.0084 39.6683 175.1019 12 L 4.1171 8.3279 125.8535 53.8667 42.5046 175.1464 13 P 4.3890 0.0000 0.0000 62.3820 31.9076 175.3389 14 D 4.4299 8.8323 118.4242 54.4005 41.2124 175.3265 15 P 4.5744 0.0000 0.0000 63.8968 31.6439 176.4457 16 K 4.3029 9.2274 118.7007 56.2622 33.8067 176.2258 17 F 4.5338 8.3748 112.7935 55.8032 41.4871 174.7859 18 G 4.0454 8.6436 107.8735 45.8002 0.0000 172.7985 19 S 4.5423 7.6151 114.0407 56.0685 66.7611 174.2327 20 E 3.9388 8.9850 127.0845 59.4384 29.0868 178.9845 21 L 4.0476 8.0566 119.0380 59.3743 40.1507 179.2659 22 L 3.6597 7.8121 118.7586 57.1835 41.6897 178.4517 23 A 3.9860 8.5075 121.0030 55.6276 18.2044 179.4748 24 K 3.8627 8.1839 116.6848 59.4335 32.1122 178.7603 25 F 4.0243 7.7868 120.5856 61.5254 39.2328 177.5436 26 V 3.7493 7.9239 109.9578 63.5251 31.0293 177.3911 27 N 4.5169 7.8577 116.6795 55.7943 38.6797 177.0604 28 I 3.6433 7.4901 120.9559 64.2382 37.3541 177.9492 29 L 4.0879 7.2077 118.8597 56.1892 41.9295 176.5305 30 M 4.0245 7.0343 118.2717 55.7818 32.5294 175.4864 31 V 4.4044 8.1404 125.2271 60.9045 34.0365 174.9720 32 D 4.4455 9.5870 119.0957 55.2978 38.3591 174.0665 33 G 3.8658 8.2090 103.1783 46.8060 0.0000 175.8222 34 K 4.3211 8.0151 121.8318 54.7286 31.7001 176.7272 35 K 4.0346 8.2888 126.2732 59.1070 32.3836 178.1001 36 S 4.1175 8.0406 114.3601 61.8004 62.7936 176.1904 37 T 3.8620 7.9527 119.4537 66.6059 68.5731 175.2565 38 A 3.9068 7.9626 121.8047 54.4812 18.1152 178.9449 39 E 3.6292 8.4588 114.6034 59.4260 30.2136 180.0887 40 S 4.3207 8.3470 114.7222 61.8610 62.5136 176.9654 41 I 3.9662 8.2281 122.7873 64.1119 36.9288 178.2137 42 V 3.6839 7.5427 118.6465 66.1758 31.0405 177.1540 43 Y 4.3319 7.5971 116.2091 61.8940 37.8933 178.2994 44 S 4.0837 7.9557 111.3654 62.4980 62.3491 176.2532 45 A 4.0723 8.2106 122.6182 54.8389 18.1323 179.4374 46 L 3.8999 8.5446 119.4256 58.3853 42.1265 179.1417 47 E 4.0118 9.4028 119.3266 59.6908 29.3693 179.1996 48 T 3.8872 8.0043 115.7719 66.9280 68.5832 176.4252 49 L 3.9235 8.0852 120.3203 57.6964 41.6958 179.5206 50 A 4.7712 7.6127 122.0670 54.8681 18.1213 179.5240 51 Q 3.9144 7.9901 116.9705 60.0029 29.2631 177.8264 52 R 3.9286 8.5908 118.3076 59.7407 30.3221 178.3646 53 S 4.3015 8.6349 113.6470 59.4156 63.0624 175.8682 54 G 4.1634 7.8601 113.5271 45.7366 0.0000 174.7437 55 K 4.2383 7.9266 118.7565 55.5919 33.6589 176.5004 56 S 4.3387 8.8268 115.2994 58.8749 63.4725 174.8974 57 E 3.8569 9.0763 121.9415 60.1794 29.0103 179.4278 58 L 3.9337 7.4758 119.5845 57.5524 41.4881 179.5312 59 E 3.9547 8.4438 118.4262 59.3983 29.6244 179.0633 60 A 3.9620 8.0156 120.1334 54.9477 18.3559 179.2887 61 F 3.8609 8.7497 119.8063 61.5422 39.5645 176.9190 62 E 3.8516 8.2220 118.4709 59.1207 29.1372 178.7814 63 V 4.2299 8.0502 118.8834 65.4086 31.9167 177.2873 64 A 4.0816 7.7987 120.1697 55.3352 18.1376 179.3681 65 L 3.7745 7.4053 116.8553 58.1241 41.8378 179.6244 66 E 3.7446 8.5389 117.9280 58.5312 29.2415 178.2629 67 N 4.6414 7.6572 114.7867 54.9530 40.3403 176.7923 68 V 3.9135 7.7265 117.5767 64.6437 31.8386 176.5322 69 R 3.8748 8.1386 118.5178 56.1695 31.1441 174.6846 70 P 5.0467 0.0000 0.0000 62.4198 30.9079 176.9704 71 T 4.4184 8.3303 115.5485 62.3597 69.1958 172.7064 72 V 5.1023 7.7172 113.1100 59.8199 35.7618 173.9834 73 E 4.8704 9.5722 122.0815 55.0598 33.7058 174.2361 74 V 4.8180 8.3454 112.7649 59.7117 33.8582 175.5339 75 K 4.7073 9.1504 125.6971 54.1764 34.3613 176.0681 76 S 5.1011 8.8160 121.8539 58.9562 63.8764 174.7972 77 R 4.2508 8.3031 121.6999 55.7472 31.7583 173.7197 78 R 4.4600 8.3673 127.8380 54.6036 28.3308 174.7210 79 V 4.0422 8.0753 117.7108 62.6037 33.5793 175.8141 80 G 3.5333 8.5149 118.0283 46.7235 0.0000 173.3391 81 G 3.9995 8.0011 102.2549 45.9484 0.0000 172.7437 82 S 4.5847 7.8244 114.3429 56.4463 66.1794 174.8115 83 T 4.5115 8.1375 114.2213 61.8800 70.3241 172.3902 84 Y 4.9443 8.0136 116.0368 57.1221 42.4880 174.5047 85 Q 4.9663 8.4595 117.9061 54.8679 29.1211 176.7495 86 V 3.8685 7.9910 119.1998 63.2340 32.6977 174.3128 87 P 5.0459 0.0000 0.0000 62.0570 33.1726 175.6971 88 V 4.5083 8.0947 119.3994 60.9753 34.4056 171.5159 89 E 4.5621 9.0334 122.7352 56.7693 30.5758 176.3221 90 V 4.3184 8.2905 114.2591 59.2043 32.1727 177.0767 91 R 4.1098 8.5435 123.9268 56.2151 31.8342 174.2705 92 P 4.2397 0.0000 0.0000 65.2083 30.6003 178.6835 93 V 3.5105 7.6971 110.4060 63.7326 32.0771 178.5692 94 R 3.8050 7.4961 117.0979 59.2454 29.9664 178.2174 95 R 3.7109 7.9169 118.5653 59.6233 29.9512 177.8775 96 N 4.1325 8.1232 115.1522 56.5127 38.5963 176.5152 97 A 3.9002 7.5858 121.5350 55.4078 18.2938 179.2438 98 L 3.3304 7.5988 116.1655 57.7721 41.7503 179.6539 99 A 3.4922 7.0755 119.9706 55.3851 18.2539 179.5098 100 M 4.0942 8.0697 117.1647 58.5873 32.0140 178.8336 101 R 3.7975 8.1600 119.0512 59.3006 30.1876 178.3852 102 W 4.4259 8.2045 118.8069 60.0161 29.1115 178.2673 103 I 3.7850 7.9672 119.6282 64.6338 36.6108 178.5584 104 V 3.5277 7.7659 118.5667 66.0462 31.2160 177.5618 105 E 3.9385 8.2461 117.1898 59.7840 29.8418 179.2660 106 A 4.1366 8.6026 120.6089 54.8060 18.3859 179.5923 107 A 3.9690 8.1034 119.4399 55.4285 18.3710 179.8883 108 R 4.0242 8.3728 114.7456 57.8581 30.4958 177.8423 109 K 4.4748 7.6382 118.2043 56.1428 32.6227 177.0080 110 R 4.2565 8.2079 116.8214 56.9816 29.5623 176.6442 111 G 4.0231 7.7414 106.1020 46.2984 0.0000 175.3473 112 D 4.7830 7.3472 122.8676 54.2510 40.4675 177.2850 113 K 4.2263 8.5717 121.4817 59.3683 33.1151 177.2617 114 S 4.8416 7.4496 113.2577 55.9558 67.7389 174.5125 115 M 3.9354 8.6821 122.6037 59.0537 31.7694 178.2676 116 A 4.0195 8.0495 119.9892 55.3195 18.5224 179.2800 117 L 3.9216 7.9246 116.6324 58.0716 41.7591 179.6149 118 R 3.9131 7.9263 117.7902 59.3211 30.0697 178.7137 119 L 3.9574 8.2502 119.6891 58.2220 42.0353 178.3858 120 A 4.0111 8.5757 120.8584 55.6214 18.2689 179.2222 121 N 4.2842 8.5732 114.6168 56.5143 38.6257 177.2751 122 E 3.9332 8.3292 120.5179 59.3875 29.5186 178.6460 123 L 3.9621 8.3654 118.1265 58.3201 41.8332 179.4450 124 S 4.2394 7.8888 115.3281 61.1659 62.3464 175.9447 125 D 4.9261 8.5405 122.3896 57.2066 40.8807 179.5225 126 A 4.0520 8.3897 120.8065 54.8464 18.1884 178.9575 127 A 4.3457 7.9642 117.4064 53.4838 18.8087 178.2952 128 E 4.5021 8.3716 116.2135 55.4756 29.8726 174.0124 129 N 4.1416 8.4162 116.3896 54.9454 35.4906 172.6996 130 K 4.6024 8.6052 118.6439 57.5348 38.7028 177.0140 131 G 3.9356 7.6736 106.6033 45.3175 0.0000 173.5804 132 T 3.9135 8.5839 114.3053 66.0985 68.2202 176.7020 133 A 4.0483 8.1963 122.8358 55.6225 18.2768 180.1777 134 V 3.6535 7.8088 110.0100 64.1364 31.6171 178.6678 135 K 3.8777 7.6226 119.0325 59.3116 32.0187 178.3050 136 K 3.5805 8.0443 121.6106 58.7507 31.8842 178.0182 137 R 3.9003 7.3969 118.5895 59.8732 29.8555 178.1529 138 E 3.9349 7.7912 117.7449 59.4302 29.0194 178.8974 139 D 4.3063 7.9797 118.9303 57.4411 40.7918 179.2404 140 V 3.6001 7.8191 118.6332 66.3869 31.3518 177.7722 141 H 4.2809 7.9223 114.6713 59.0885 28.5840 177.7570 142 R 4.0851 8.2431 119.4451 58.9492 29.7195 178.4859 143 M 4.1359 8.0784 118.0999 57.8801 32.2775 176.5674 144 A 4.3369 7.7439 120.1763 52.4359 19.7996 176.7651 145 E 4.0817 8.9614 123.7643 57.3878 29.2069 175.9577 146 A 4.2385 7.2296 118.1314 53.8897 18.5744 177.3584 147 N 4.5476 7.7809 111.5199 52.1066 40.4156 175.8708 148 K 3.5260 8.2962 122.5857 59.2139 32.2991 178.5065 149 A 4.1057 7.6529 120.4387 54.9329 18.2422 178.3523 150 F 4.4111 8.1705 113.7423 57.7713 39.3455 175.5816 151 A 3.6768 8.0427 126.8177 51.6027 18.1685 176.3680 152 H 4.5050 8.0762 111.3330 54.0784 30.2728 173.7129 153 Y 4.0868 7.5274 122.3722 58.7260 37.9301 170.0623 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 2 R 8.25 4.34 0.00 1.79 1.96 0.00 3.23 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 3 R 8.96 3.76 0.00 1.92 1.73 0.00 3.43 0.00 0.00 3.23 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 4 R 9.08 4.07 0.00 1.80 1.87 0.00 3.19 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 1.64 1.62 0.00 5 V 8.05 4.33 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 6 I 8.11 4.73 1.87 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 1.35 0.80 0.91 0.00 0.00 7 G 8.04 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 8 Q 8.62 4.49 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 9 R 8.46 4.14 0.00 1.81 1.84 0.00 3.31 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 10 K 8.63 3.95 0.00 1.76 1.72 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.48 7.81 11 I 7.94 4.53 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.93 0.00 0.00 12 L 8.33 4.12 0.00 1.62 1.59 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.39 0.00 2.24 2.08 0.00 3.86 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 14 D 8.83 4.43 0.00 2.96 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 15 P 0.00 4.57 0.00 2.29 2.22 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 16 K 9.23 4.30 0.00 1.02 1.69 0.00 0.61 0.00 0.00 1.54 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.74 0.93 7.81 17 F 8.37 4.53 0.00 2.97 2.99 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 18 G 8.64 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 0.00 0.00 0.00 19 S 7.62 4.54 0.00 3.95 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 20 E 8.99 3.94 0.00 2.05 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 2.42 2.40 0.00 21 L 8.06 4.05 0.00 1.99 2.01 1.05 0.32 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 22 L 7.81 3.66 0.00 1.71 1.77 0.57 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.51 3.99 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 24 K 8.18 3.86 0.00 1.91 1.89 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 F 7.79 4.02 0.00 3.37 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 26 V 7.92 3.75 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 0.76 0.00 0.00 1.01 0.00 0.00 27 N 7.86 4.52 0.00 2.97 2.85 0.00 0.00 7.04 8.15 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 28 I 7.49 3.64 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.80 0.78 0.00 0.00 29 L 7.21 4.09 0.00 1.34 1.53 0.87 1.41 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 30 M 7.03 4.02 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.47 0.00 31 V 8.14 4.40 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 0.91 0.00 0.00 0.92 0.00 0.00 32 D 9.59 4.45 0.00 2.81 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 33 G 8.21 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 34 K 8.02 4.32 0.00 1.84 1.78 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.61 7.81 35 K 8.29 4.03 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 36 S 8.04 4.12 0.00 4.12 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 37 T 7.95 3.86 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 1.22 0.00 0.00 38 A 7.96 3.91 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 39 E 8.46 3.63 0.00 2.13 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 2.26 2.37 0.00 40 S 8.35 4.32 0.00 4.08 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 41 I 8.23 3.97 2.04 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 1.43 1.03 0.93 0.00 0.00 42 V 7.54 3.68 1.79 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 0.98 0.00 0.00 0.98 0.00 0.00 43 Y 7.60 4.33 0.00 3.13 3.03 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 44 S 7.96 4.08 0.00 4.08 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 45 A 8.21 4.07 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 46 L 8.54 3.90 0.00 1.87 1.81 0.76 0.71 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 47 E 9.40 4.01 0.00 2.09 2.04 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 2.58 2.59 0.00 48 T 8.00 3.89 4.44 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 1.23 0.00 0.00 49 L 8.09 3.92 0.00 1.88 1.73 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 A 7.61 4.77 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 51 Q 7.99 3.91 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 52 R 8.59 3.93 0.00 1.95 1.91 0.00 3.23 0.00 0.00 3.28 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 53 S 8.63 4.30 0.00 4.06 4.11 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 54 G 7.86 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 0.00 0.00 0.00 0.00 55 K 7.93 4.24 0.00 2.41 1.95 0.00 1.35 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.38 7.81 56 S 8.83 4.34 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 57 E 9.08 3.86 0.00 2.03 2.43 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 2.44 2.43 0.00 58 L 7.48 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 67 N 7.66 4.64 0.00 2.98 2.82 0.00 0.00 6.89 6.98 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 68 V 7.73 3.91 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 1.21 0.00 0.00 0.99 0.00 0.00 69 R 8.14 3.87 0.00 1.80 1.88 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 70 P 0.00 5.05 0.00 2.35 2.17 0.00 3.79 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.77 0.00 71 T 8.33 4.42 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 1.09 0.00 0.00 72 V 7.72 5.10 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 0.65 0.00 0.00 0.89 0.00 0.00 73 E 9.57 4.87 0.00 2.00 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 2.22 2.31 0.00 74 V 8.35 4.82 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 0.74 0.00 0.00 0.97 0.00 0.00 75 K 9.15 4.71 0.00 1.69 1.67 0.00 1.86 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.51 7.81 76 S 8.82 5.10 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 77 R 8.30 4.25 0.00 1.95 1.90 0.00 3.24 0.00 0.00 3.36 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 78 R 8.37 4.46 0.00 1.71 1.85 0.00 3.28 0.00 0.00 3.10 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 79 V 8.08 4.04 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 0.80 0.00 0.00 0.96 0.00 0.00 80 G 8.51 3.53 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 0.00 81 G 8.00 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 0.00 0.00 0.00 82 S 7.82 4.58 0.00 3.56 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 83 T 8.14 4.51 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 1.15 0.00 0.00 84 Y 8.01 4.94 0.00 2.90 2.34 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 85 Q 8.46 4.97 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 86 V 7.99 3.87 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 0.93 0.00 0.00 0.73 0.00 0.00 87 P 0.00 5.05 0.00 2.07 2.06 0.00 4.07 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 1.86 1.93 0.00 88 V 8.09 4.51 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 0.84 0.00 0.00 0.95 0.00 0.00 89 E 9.03 4.56 0.00 1.97 2.11 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 2.30 2.34 0.00 90 V 8.29 4.32 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 0.78 0.00 0.00 0.97 0.00 0.00 91 R 8.54 4.11 0.00 1.89 1.89 0.00 3.20 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 92 P 0.00 4.24 0.00 2.25 2.16 0.00 3.73 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 2.07 2.07 0.00 93 V 7.70 3.51 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 1.03 0.00 0.00 0.92 0.00 0.00 94 R 7.50 3.80 0.00 1.84 2.03 0.00 3.24 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 95 R 7.92 3.71 0.00 2.05 2.02 0.00 3.14 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 96 N 8.12 4.13 0.00 2.82 2.85 0.00 0.00 6.87 7.82 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 97 A 7.59 3.90 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 98 L 7.60 3.33 0.00 1.15 0.42 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.08 3.49 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 0.00 100 M 8.07 4.09 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.76 0.00 101 R 8.16 3.80 0.00 1.81 1.96 0.00 3.21 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 102 W 8.20 4.43 0.00 3.57 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 0.00 103 I 7.97 3.78 2.20 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 1.48 1.15 1.06 0.00 0.00 104 V 7.77 3.53 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 0.81 0.00 0.00 0.60 0.00 0.00 105 E 8.25 3.94 0.00 2.16 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 2.38 2.63 0.00 106 A 8.60 4.14 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 0.00 107 A 8.10 3.97 1.51 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 0.00 108 R 8.37 4.02 0.00 1.74 2.00 0.00 3.09 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 109 K 7.64 4.47 0.00 1.97 1.74 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.57 7.81 110 R 8.21 4.26 0.00 2.02 2.14 0.00 3.37 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 111 G 7.74 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 0.00 112 D 7.35 4.78 0.00 2.72 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 0.00 113 K 8.57 4.23 0.00 1.75 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.40 7.81 114 S 7.45 4.84 0.00 3.82 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 0.00 115 M 8.68 3.94 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 116 A 8.05 4.02 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 0.00 117 L 7.92 3.92 0.00 1.91 1.75 0.93 0.95 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 0.00 118 R 7.93 3.91 0.00 2.03 2.19 0.00 3.14 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 119 L 8.25 3.96 0.00 1.80 1.96 1.18 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.58 4.01 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 0.00 121 N 8.57 4.28 0.00 2.76 2.90 0.00 0.00 6.77 7.26 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 0.00 122 E 8.33 3.93 0.00 2.19 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 0.00 2.50 2.44 0.00 123 L 8.37 3.96 0.00 1.84 1.73 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.89 4.24 0.00 3.98 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 0.00 125 D 8.54 4.93 0.00 2.91 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 0.00 126 A 8.39 4.05 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 0.00 127 A 7.96 4.35 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 0.00 128 E 8.37 4.50 0.00 2.11 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 0.00 2.19 2.42 0.00 129 N 8.42 4.14 0.00 2.84 2.87 0.00 0.00 6.85 7.61 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 0.00 130 K 8.61 4.60 0.00 1.72 1.74 0.00 2.14 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.53 7.81 131 G 7.67 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 0.00 0.00 0.00 132 T 8.58 3.91 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 1.16 0.00 0.00 133 A 8.20 4.05 1.44 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 0.00 0.00 134 V 7.81 3.65 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 0.87 0.00 0.00 1.01 0.00 0.00 135 K 7.62 3.88 0.00 1.89 1.88 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.54 7.81 136 K 8.04 3.58 0.00 1.31 1.37 0.00 1.11 0.00 0.00 1.07 0.00 0.00 2.29 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.30 0.21 7.81 137 R 7.40 3.90 0.00 2.32 2.22 0.00 3.34 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.21 0.00 138 E 7.79 3.93 0.00 2.11 1.95 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 2.33 2.49 0.00 139 D 7.98 4.31 0.00 2.71 2.62 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 0.00 140 V 7.82 3.60 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 1.25 0.00 0.00 0.83 0.00 0.00 141 H 7.92 4.28 0.00 3.33 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.24 4.09 0.00 1.97 1.97 0.00 3.27 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 143 M 8.08 4.14 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 144 A 7.74 4.34 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 0.00 145 E 8.96 4.08 0.00 2.20 2.04 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 2.23 2.31 0.00 146 A 7.23 4.24 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 0.00 147 N 7.78 4.55 0.00 2.68 2.70 0.00 0.00 6.73 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 0.00 148 K 8.30 3.53 0.00 1.72 1.77 0.00 2.00 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 149 A 7.65 4.11 0.96 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 0.00 0.00 150 F 8.17 4.41 0.00 2.95 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 0.00 151 A 8.04 3.68 1.19 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 0.00 152 H 8.08 4.51 0.00 3.17 3.32 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 Y 7.53 4.09 0.00 3.12 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