NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0357 8.0549 114.0454 61.4036 32.9660 174.4491 2 H 4.6224 8.7213 120.5230 53.5252 30.4155 172.1710 3 L 4.8855 8.0765 124.7357 52.2125 45.2535 176.9886 4 S 4.3450 8.6221 118.3578 58.3587 64.8854 175.8283 5 S 4.0650 8.5570 117.6084 61.5453 62.7340 176.2822 6 E 3.9043 8.0945 122.5363 59.0466 29.3858 178.4114 7 E 3.9022 8.0603 118.4838 59.3123 29.5781 179.0899 8 K 3.7878 8.2112 119.8235 59.8110 32.1508 178.9576 9 S 4.1262 8.0972 115.0159 61.3217 62.6669 176.4891 10 A 3.9775 7.8831 123.1918 55.1384 18.1952 179.7639 11 V 3.5474 7.9745 117.2561 66.4779 31.5367 178.3858 12 T 4.0683 8.1237 109.2703 64.5796 68.5449 176.3727 13 A 4.0050 8.0191 122.9454 55.0540 18.6154 179.0781 14 L 3.9057 7.9257 118.3176 57.8512 42.2393 178.8846 15 W 4.2407 8.7215 128.5888 60.3180 30.4341 178.1051 16 G 3.8001 8.3751 104.9568 46.9875 0.0000 174.7299 17 K 4.3945 7.7759 118.4531 55.5428 32.8714 176.9874 18 V 3.6186 6.9403 120.6502 62.4041 31.9782 176.1289 19 N 4.5120 8.4336 125.5971 52.7548 38.2237 175.6525 20 V 3.5726 8.0138 128.1597 64.1069 31.6548 177.3142 21 E 4.0491 7.9458 119.4145 58.5513 29.7360 177.4562 22 E 4.4764 7.8037 116.5681 57.3888 31.6954 178.2086 23 V 3.5069 7.8213 118.3403 65.7688 31.4121 178.1263 24 G 3.8196 8.1266 105.0546 48.0656 0.0000 175.7167 25 G 3.6063 8.0122 108.0730 47.2401 0.0000 175.5222 26 E 3.9093 8.2575 120.6852 59.0984 29.4830 179.3147 27 A 3.9393 8.3287 121.2285 55.0349 18.5378 179.4372 28 L 3.9855 8.3072 119.4138 58.1082 42.2899 179.1547 29 G 3.6508 8.1762 105.7850 48.1684 0.0000 175.7704 30 R 3.8704 7.9852 121.0043 58.4954 30.0298 178.7429 31 L 4.0310 7.9310 120.1744 58.4934 41.8165 179.2298 32 L 4.0749 7.7642 119.8708 56.7527 41.2725 179.7575 33 V 3.5069 7.3273 117.3720 66.0680 31.6671 178.1164 34 V 3.5086 7.8879 116.6815 64.2484 32.7059 175.5348 35 Y 4.0372 7.2539 115.8940 54.4213 38.0066 174.1817 36 P 4.4636 0.0000 0.0000 63.9674 31.8427 177.8481 37 W 4.3809 8.0572 115.9045 59.6166 27.6801 178.1160 38 T 4.3329 7.6078 110.5949 64.4944 68.0564 176.2535 39 Q 4.1568 8.1056 121.1340 58.9508 28.4070 178.6922 40 R 3.9050 7.8802 119.1216 59.0885 30.1335 178.0122 41 F 4.2704 7.9767 116.0295 58.7239 39.0400 175.7277 42 F 4.5452 7.8531 117.4757 56.8917 40.1169 177.0051 43 E 3.9941 8.3456 123.6909 59.4011 29.3676 179.1176 44 S 4.4068 8.0668 111.5065 60.1329 62.9438 174.7240 45 F 4.7581 8.2967 119.6280 58.0789 39.8007 175.9819 46 G 3.9426 7.7525 105.9523 44.0175 0.0000 173.1637 47 D 4.5401 8.6141 123.2444 54.2775 41.6393 176.7064 48 L 4.8131 8.4500 128.0935 54.7343 42.5869 177.3998 49 S 4.6636 7.8431 110.4942 57.9405 63.2436 173.3562 50 S 4.4973 7.5200 112.8039 56.5480 65.9826 175.9629 51 A 3.9284 8.5924 123.0134 55.4276 18.0410 179.4324 52 N 4.1909 8.1413 114.7035 56.9053 38.8522 176.7368 53 A 4.2301 7.5189 122.0521 54.4411 18.8421 179.5435 54 V 3.6725 7.8847 116.7362 66.6882 31.4996 178.3753 55 M 4.1427 7.9277 117.0866 57.5842 31.6778 177.5687 56 N 4.7657 8.1292 115.6050 52.0643 37.9142 174.2248 57 N 4.6530 7.6057 121.9888 52.8430 39.2908 173.7638 58 P 4.2381 0.0000 0.0000 65.7106 31.2821 178.6005 59 K 3.6418 8.3041 118.7825 58.8076 31.7538 179.2703 60 V 3.6863 7.8015 118.1807 66.0271 31.5046 178.1033 61 K 3.9198 7.7508 117.9098 59.3554 31.7583 179.1586 62 A 3.9503 8.1412 121.2583 55.4846 18.3401 179.1166 63 H 4.3176 8.6898 117.2825 59.4464 29.9672 177.6120 64 G 3.7083 8.3710 107.6169 47.6476 0.0000 175.4140 65 K 3.9540 8.0418 121.7649 59.3368 32.2938 179.0613 66 K 3.9994 7.6454 117.2683 59.3569 31.9866 179.2845 67 V 3.7020 7.8367 118.5342 66.2371 31.3612 177.8795 68 L 4.3685 8.1958 119.6699 58.2360 41.9723 178.6087 69 A 4.1376 8.4763 120.6672 55.1230 18.2597 179.5747 70 A 3.9351 8.0783 119.0486 55.4183 18.3126 179.6757 71 F 4.0846 8.3382 115.0713 60.8922 39.4247 177.7359 72 S 4.2579 8.7940 114.8936 61.7785 62.8490 176.3988 73 E 4.0484 8.2942 121.1725 59.7021 29.2593 179.6671 74 G 3.8891 8.1200 105.3188 48.1545 0.0000 175.5937 75 L 3.9714 7.4696 119.6140 57.2219 41.6455 178.8048 76 S 4.4723 7.5207 112.2970 59.0789 63.4171 174.3555 77 H 4.9808 8.0643 120.5315 54.7464 29.8949 175.7442 78 L 4.0198 8.2164 121.6455 57.4295 41.6730 177.9964 79 D 4.6244 7.9135 115.6126 53.3414 40.3956 176.4408 80 N 5.0023 7.9308 118.3615 51.9673 39.5954 175.1707 81 L 4.1686 7.8203 122.1477 57.7883 42.0086 179.2459 82 K 3.9761 8.1944 118.2906 59.4360 31.7631 179.0641 83 G 3.5595 7.6558 103.0405 47.1697 0.0000 175.8325 84 T 3.8401 7.4023 117.4669 66.1002 68.6479 175.7545 85 F 4.6013 8.0788 117.3172 57.1589 39.1231 177.4749 86 A 3.9955 7.4027 123.2721 55.3948 18.1636 180.5775 87 K 3.8838 7.9569 116.2762 59.7641 32.2203 179.5057 88 L 4.1178 7.8726 118.6239 57.4872 41.5132 179.3706 89 S 4.1681 8.4464 115.2109 60.6379 62.2627 175.7157 90 E 3.8080 8.0276 121.9457 59.1327 29.5351 178.3201 91 L 3.8779 7.7991 120.2492 58.7890 42.1583 178.8181 92 H 4.2406 8.2658 115.8809 58.7148 28.2301 177.6469 93 C 4.0493 8.2494 120.0630 61.8830 27.9504 175.7119 94 D 4.2866 8.0136 118.7378 56.1032 41.1121 177.8673 95 K 4.2086 7.9461 116.8014 58.0333 32.9148 177.6054 96 L 4.2933 7.6142 116.1948 54.8161 42.2479 176.2656 97 H 4.3608 7.4207 114.2141 56.5741 26.7490 175.2744 98 V 3.6202 7.7169 118.7959 62.3639 32.1400 175.0560 99 D 4.3251 8.5778 127.2691 53.2052 42.1142 175.1663 100 P 3.4314 0.0000 0.0000 65.3595 31.3203 178.0091 101 E 3.8355 8.1743 119.4884 59.7579 29.3268 178.7381 102 N 4.4171 7.8685 115.9076 55.9100 38.5343 177.4674 103 F 4.5059 7.3642 119.2749 60.5019 38.9767 177.6227 104 R 4.0042 8.0178 117.9819 59.2656 29.9435 178.4225 105 L 3.8677 7.8160 118.5662 57.6823 41.6065 179.0727 106 L 4.1440 8.1353 120.3652 58.2045 42.1206 179.0318 107 G 3.9301 8.3043 105.5364 48.3142 0.0000 175.3785 108 N 4.4868 8.3430 119.1663 55.8224 38.4602 177.7410 109 V 3.6292 8.1038 119.8512 65.9258 31.5285 177.8314 110 L 3.8503 8.1560 120.1743 58.1423 41.8735 179.1676 111 V 3.4614 7.7231 117.9646 65.7915 31.3743 178.0718 112 I 3.6580 8.0045 120.0794 64.2942 36.9614 178.5678 113 V 3.4732 7.9262 119.1789 65.9181 31.3182 177.7418 114 L 3.7670 7.7716 119.0080 57.9969 41.3884 179.6475 115 S 3.8589 7.4126 112.6228 61.4316 62.1129 175.5611 116 H 4.0722 8.0091 119.9007 59.6602 29.6676 176.7199 117 H 3.9353 7.9941 116.5769 58.4704 28.7347 177.1793 118 F 4.5853 8.3705 118.5020 57.0519 39.6813 177.3039 119 G 3.8465 8.7544 107.9693 45.9805 0.0000 176.7085 120 K 3.9728 8.9602 123.0950 59.1677 32.2184 177.4841 121 E 4.0943 7.8345 117.8073 58.9593 29.8464 177.2341 122 F 4.5252 8.4126 122.7251 57.2497 37.6864 175.0503 123 T 4.2068 7.4447 116.2675 60.1326 71.3251 173.5061 124 P 4.1613 0.0000 0.0000 65.8149 31.0509 179.0680 125 Q 3.9304 7.8780 116.5434 58.7327 28.7264 178.6087 126 V 3.5427 7.4893 118.8954 65.8411 31.4885 177.6246 127 Q 3.6404 7.4825 119.1300 59.2446 28.6735 178.2735 128 A 3.9750 8.1062 121.3885 55.3250 18.3301 179.5341 129 A 3.9147 7.7909 119.1767 55.4841 18.3779 179.3989 130 Y 3.9057 8.2363 115.2826 61.3698 37.9022 179.0560 131 Q 4.1291 8.5339 119.3464 58.7854 28.7813 178.8217 132 K 3.9794 7.8766 119.8091 59.3027 32.0823 179.5622 133 V 3.5177 7.7291 118.4167 66.2537 31.4537 178.5938 134 V 3.8878 8.3231 112.2733 64.2176 31.3144 178.4675 135 A 4.1005 8.1893 120.8451 55.1739 18.2765 179.6484 136 G 3.6609 8.0569 104.2628 48.0773 0.0000 176.0358 137 V 2.9942 7.7636 120.0907 65.3843 31.5651 177.6537 138 A 3.8913 8.0176 120.8147 55.5520 17.9739 179.3353 139 N 4.3294 8.0270 112.9309 56.4703 38.7818 177.2345 140 A 4.0732 7.9520 122.0941 55.1619 18.0599 179.7530 141 L 3.5999 7.9560 117.5852 57.1369 41.6354 178.6124 142 A 4.7174 7.8647 118.9007 52.7353 18.4452 178.2867 143 H 4.0024 7.8465 118.4069 59.4106 29.6697 177.2331 144 K 3.9225 7.6772 118.3010 58.9449 31.6075 178.7597 145 Y 4.3687 7.6097 117.2608 61.2859 37.7044 175.4803 146 H 4.5165 7.7321 119.6714 56.1460 28.7880 175.1881 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 1 V 8.05 4.04 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 0.92 0.00 0.00 0.87 0.00 0.00 2 H 8.72 4.62 0.00 3.16 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.08 4.89 0.00 1.55 1.49 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.62 4.34 0.00 4.06 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 5 S 8.56 4.07 0.00 4.06 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 6 E 8.09 3.90 0.00 2.04 1.97 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 2.37 2.39 0.00 7 E 8.06 3.90 0.00 2.21 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 2.30 2.29 0.00 8 K 8.21 3.79 0.00 1.89 1.78 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.43 7.81 9 S 8.10 4.13 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.88 3.98 1.38 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 0.00 0.00 0.00 11 V 7.97 3.55 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 0.59 0.00 0.00 0.48 0.00 0.00 12 T 8.12 4.07 4.30 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 1.25 0.00 0.00 13 A 8.02 4.00 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 14 L 7.93 3.91 0.00 1.79 1.89 0.26 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.72 4.24 0.00 3.82 3.30 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 16 G 8.38 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 17 K 7.78 4.39 0.00 1.86 2.04 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.60 7.81 18 V 6.94 3.62 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 0.12 0.00 0.00 0.62 0.00 0.00 19 N 8.43 4.51 0.00 2.72 2.61 0.00 0.00 6.97 7.71 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 20 V 8.01 3.57 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 0.77 0.00 0.00 0.94 0.00 0.00 21 E 7.95 4.05 0.00 1.98 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 2.30 2.37 0.00 22 E 7.80 4.48 0.00 1.92 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 2.37 2.22 0.00 23 V 7.82 3.51 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 0.84 0.00 0.00 0.60 0.00 0.00 24 G 8.13 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 25 G 8.01 3.61 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 0.00 26 E 8.26 3.91 0.00 2.17 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 2.29 2.45 0.00 27 A 8.33 3.94 1.33 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 0.00 0.00 28 L 8.31 3.99 0.00 1.77 1.65 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.18 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 30 R 7.99 3.87 0.00 1.92 1.92 0.00 3.07 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 31 L 7.93 4.03 0.00 1.84 1.91 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.76 4.07 0.00 1.83 1.64 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.33 3.51 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 0.70 0.00 0.00 0.89 0.00 0.00 34 V 7.89 3.51 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 -0.01 0.00 0.00 0.71 0.00 0.00 35 Y 7.25 4.04 0.00 2.60 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 36 P 0.00 4.46 0.00 2.21 2.08 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 37 W 8.06 4.38 0.00 3.63 3.54 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 38 T 7.61 4.33 4.46 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 1.11 0.00 0.00 39 Q 8.11 4.16 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 40 R 7.88 3.90 0.00 1.83 1.58 0.00 3.18 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.71 0.00 41 F 7.98 4.27 0.00 2.87 2.45 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 42 F 7.85 4.55 0.00 2.86 2.28 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 43 E 8.35 3.99 0.00 2.01 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 2.40 2.56 0.00 44 S 8.07 4.41 0.00 4.11 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 45 F 8.30 4.76 0.00 3.09 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 46 G 7.75 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 47 D 8.61 4.54 0.00 2.66 2.63 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 48 L 8.45 4.81 0.00 1.73 1.61 1.02 0.93 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 49 S 7.84 4.66 0.00 4.03 4.04 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 50 S 7.52 4.50 0.00 4.02 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 51 A 8.59 3.93 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 52 N 8.14 4.19 0.00 2.78 2.81 0.00 0.00 7.02 8.18 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 53 A 7.52 4.23 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 54 V 7.88 3.67 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 1.04 0.00 0.00 0.98 0.00 0.00 55 M 7.93 4.14 0.00 2.01 2.08 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 2.59 2.86 0.00 56 N 8.13 4.77 0.00 2.99 3.03 0.00 0.00 6.50 7.05 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 57 N 7.61 4.65 0.00 3.03 2.90 0.00 0.00 6.85 7.06 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 58 P 0.00 4.24 0.00 2.23 2.25 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 2.00 2.01 0.00 59 K 8.30 3.64 0.00 1.47 0.74 0.00 1.54 0.00 0.00 1.16 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.11 1.20 7.81 60 V 7.80 3.69 2.24 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 1.05 0.00 0.00 1.05 0.00 0.00 61 K 7.75 3.92 0.00 1.90 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 62 A 8.14 3.95 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 63 H 8.69 4.32 0.00 3.59 3.55 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 64 G 8.37 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 65 K 8.04 3.95 0.00 2.01 2.01 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 66 K 7.65 4.00 0.00 2.05 1.86 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.48 7.81 67 V 7.84 3.70 2.37 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 1.29 0.00 0.00 1.08 0.00 0.00 68 L 8.20 4.37 0.00 2.08 1.80 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.48 4.14 1.47 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 0.00 0.00 0.00 70 A 8.08 3.94 1.52 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 0.00 0.00 71 F 8.34 4.08 0.00 3.44 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 72 S 8.79 4.26 0.00 4.28 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 0.00 73 E 8.29 4.05 0.00 2.05 1.86 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 2.34 2.43 0.00 74 G 8.12 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.47 3.97 0.00 1.65 1.53 -0.42 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.52 4.47 0.00 3.81 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 77 H 8.06 4.98 0.00 3.18 3.14 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.22 4.02 0.00 1.56 1.66 0.82 1.06 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 79 D 7.91 4.62 0.00 2.73 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 5.00 0.00 2.76 2.65 0.00 0.00 7.20 6.34 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 81 L 7.82 4.17 0.00 1.75 1.81 0.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.19 3.98 0.00 1.78 1.75 0.00 1.51 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.44 7.81 83 G 7.66 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.40 3.84 4.06 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 0.00 0.00 0.69 0.00 0.00 85 F 8.08 4.60 0.00 3.04 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.40 4.00 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 87 K 7.96 3.88 0.00 1.77 1.85 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.51 7.81 88 L 7.87 4.12 0.00 1.96 1.79 1.10 0.88 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 89 S 8.45 4.17 0.00 3.98 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 90 E 8.03 3.81 0.00 2.06 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 2.28 2.28 0.00 91 L 7.80 3.88 0.00 1.78 1.62 0.87 1.05 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 92 H 8.27 4.24 0.00 3.29 3.58 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.25 4.05 0.00 2.62 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 94 D 8.01 4.29 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.21 0.00 1.85 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.40 7.81 96 L 7.61 4.29 0.00 1.84 1.73 0.76 0.91 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 97 H 7.42 4.36 0.00 3.28 3.49 0.00 5.66 0.00 0.00 0.00 0.00 8.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.72 3.62 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 0.28 0.00 0.00 0.39 0.00 0.00 99 D 8.58 4.33 0.00 2.73 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 0.00 0.00 0.00 0.00 100 P 0.00 3.43 0.00 2.29 2.44 0.00 3.38 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.73 0.00 101 E 8.17 3.84 0.00 2.02 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 2.41 0.00 102 N 7.87 4.42 0.00 2.64 2.80 0.00 0.00 6.97 8.11 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 0.00 103 F 7.36 4.51 0.00 3.11 2.94 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 0.00 104 R 8.02 4.00 0.00 1.92 2.10 0.00 3.21 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 105 L 7.82 3.87 0.00 1.78 1.28 0.53 0.05 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 0.00 106 L 8.14 4.14 0.00 1.91 1.85 1.03 1.05 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 0.00 107 G 8.30 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 0.00 0.00 0.00 108 N 8.34 4.49 0.00 3.04 2.96 0.00 0.00 6.71 7.58 0.00 0.00 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 V 8.10 3.63 2.38 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 1.16 0.00 0.00 1.21 0.00 0.00 110 L 8.16 3.85 0.00 1.67 1.73 0.82 0.08 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 0.00 111 V 7.72 3.46 2.30 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 1.23 0.00 0.00 1.15 0.00 0.00 112 I 8.00 3.66 1.98 0.00 0.00 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 1.58 0.71 0.89 0.00 0.00 113 V 7.93 3.47 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 0.87 0.00 0.00 0.88 0.00 0.00 114 L 7.77 3.77 0.00 0.92 0.95 0.49 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 0.00 115 S 7.41 3.86 0.00 3.89 3.96 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 0.00 116 H 8.01 4.07 0.00 3.19 3.48 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.99 3.94 0.00 2.96 2.35 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.37 4.59 0.00 3.23 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 0.00 119 G 8.75 3.85 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 0.00 0.00 0.00 120 K 8.96 3.97 0.00 1.77 1.92 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.47 7.81 121 E 7.83 4.09 0.00 2.12 2.25 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 2.31 2.27 0.00 122 F 8.41 4.53 0.00 3.04 3.16 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 0.00 123 T 7.44 4.21 4.33 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 1.30 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.13 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 125 Q 7.88 3.93 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 126 V 7.49 3.54 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.90 0.00 0.00 127 Q 7.48 3.64 0.00 1.64 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 128 A 8.11 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 0.00 129 A 7.79 3.91 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 0.00 130 Y 8.24 3.91 0.00 3.33 3.24 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 0.00 131 Q 8.53 4.13 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 132 K 7.88 3.98 0.00 1.89 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.63 7.81 133 V 7.73 3.52 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 1.01 0.00 0.00 0.77 0.00 0.00 134 V 8.32 3.89 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 0.92 0.00 0.00 1.11 0.00 0.00 135 A 8.19 4.10 1.38 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 0.00 0.00 0.00 136 G 8.06 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 0.00 0.00 0.00 137 V 7.76 2.99 1.86 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 -0.08 0.00 0.00 0.77 0.00 0.00 138 A 8.02 3.89 1.47 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 0.00 0.00 0.00 139 N 8.03 4.33 0.00 2.93 2.92 0.00 0.00 7.09 6.94 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 0.00 140 A 7.95 4.07 1.21 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 0.00 0.00 141 L 7.96 3.60 0.00 0.98 0.20 0.21 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.86 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 143 H 7.85 4.00 0.00 3.18 3.40 0.00 5.79 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 0.00 144 K 7.68 3.92 0.00 1.54 1.67 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.53 7.81 145 Y 7.61 4.37 0.00 3.19 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 0.00 146 H 7.73 4.52 0.00 3.25 3.22 0.00 5.70 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