NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8010 8.3544 109.7198 44.8821 0.0000 173.9196 4 D 4.1522 8.4164 121.9242 52.9558 42.1357 175.2940 5 K 3.8368 9.6594 129.4929 59.9435 32.4665 178.1100 6 K 4.4978 8.0333 119.2317 58.2433 32.0061 179.2599 7 V 3.6551 8.3168 119.0302 66.1804 31.3657 177.9402 8 I 3.7021 7.7759 119.3033 64.6247 36.8633 178.2779 9 Q 3.9735 8.1334 118.5875 59.4219 28.5504 178.8673 10 H 4.1295 8.4545 117.1790 58.9203 28.7797 177.9237 11 L 4.0459 8.3650 121.1697 57.9162 41.3870 179.3844 12 N 4.5696 8.5719 116.8002 55.7714 38.4089 177.5451 13 K 3.8987 8.0053 121.3147 59.5237 32.2904 178.6751 14 I 3.6791 7.8027 120.1694 64.5143 36.9925 177.8251 15 L 4.0334 8.5086 121.3328 58.4224 41.7172 179.4046 16 G 3.5686 8.1955 105.4508 47.7499 0.0000 175.5292 17 N 4.3668 8.1546 118.7939 56.1644 38.4924 177.2764 18 E 3.9692 8.5129 120.3820 59.5384 29.4939 179.4881 19 L 3.9376 8.1652 119.0591 57.7085 41.5368 179.7469 20 I 3.7489 7.5433 119.8516 64.2059 37.0783 178.3118 21 A 3.3129 7.8610 121.6361 54.7136 18.1131 179.5106 22 I 3.5735 7.7811 118.6097 64.9090 37.2195 178.4458 23 N 4.3830 7.6614 115.5813 56.1408 38.2742 177.4570 24 Q 3.8279 8.1008 121.1115 59.5114 29.1745 177.9279 25 Y 4.7605 8.1870 119.4980 60.5767 37.8840 178.2035 26 F 3.9726 8.5360 121.8174 61.0840 39.4594 177.0677 27 L 4.0105 8.3451 120.2091 58.3038 41.8133 178.5392 28 H 3.8054 8.3144 116.3175 58.7611 28.6570 177.4345 29 S 4.3648 8.4600 115.2119 61.9085 62.2045 176.6812 30 R 3.8946 7.9365 120.1510 58.9944 29.8104 179.0700 31 M 3.4719 7.8937 119.0627 57.8554 31.7278 178.6913 32 W 4.4438 7.9059 119.2204 59.7750 29.2490 178.1716 33 N 4.3323 8.3173 116.4377 56.6374 37.8535 176.9330 34 D 4.3660 7.8945 117.5952 56.7180 41.2961 177.4018 35 W 4.9630 7.7791 116.6870 56.3170 29.5329 177.1000 36 G 3.9969 8.2565 107.9782 46.0295 0.0000 174.1751 37 L 4.7848 8.1048 122.6227 53.4222 40.2548 177.4578 38 K 4.1026 8.5134 121.7999 58.9372 32.4200 178.8895 39 R 3.8725 7.9468 119.3340 59.3254 29.8856 178.6035 40 L 3.8271 7.7538 118.5767 57.2764 41.5322 179.2912 41 G 3.8237 8.2046 105.5888 47.9089 0.0000 175.5961 42 A 3.9686 8.1806 123.6616 55.0036 18.4920 179.0678 43 H 3.9035 8.3036 116.8492 59.5718 29.3968 177.0793 44 E 4.0454 8.6319 121.1765 58.9755 29.3958 177.9373 45 Y 4.0464 8.1514 119.9498 61.1590 38.7512 178.0216 46 H 4.0273 8.1181 116.8812 58.7025 28.7666 177.5971 47 E 3.8113 8.0980 120.5078 59.3330 29.1692 179.3363 48 S 4.2748 8.1141 113.0143 61.5779 62.5340 176.1604 49 I 3.5614 7.6663 122.5646 64.5971 36.9066 178.0974 50 D 4.2921 8.2493 119.7113 57.4814 40.6248 178.8197 51 E 4.1576 8.1613 118.9719 59.3713 29.4170 179.1170 52 M 4.0394 8.1314 119.1231 58.4921 32.1555 178.9790 53 K 4.0214 8.0464 118.4956 59.6340 32.1156 179.2003 54 H 4.2985 8.0979 116.2246 58.7314 28.6254 177.6926 55 A 3.9671 8.1478 122.6091 55.0673 18.1608 178.8516 56 D 4.2850 8.0469 116.6306 57.7816 41.2406 178.9718 57 K 3.9825 7.9662 118.2675 59.3811 31.9677 179.3686 58 L 4.0261 8.1688 119.3823 57.9030 41.5526 179.6408 59 I 3.7213 8.3270 120.0444 64.4516 37.0798 178.3719 60 E 4.0128 8.4520 119.6212 59.2945 29.2228 179.4723 61 R 3.9744 8.1078 118.7605 59.4725 30.1628 178.5312 62 I 3.7259 7.9758 119.7311 64.4987 37.1053 178.3342 63 L 3.9898 7.9831 119.7227 57.7725 41.2167 179.3655 64 F 4.2950 8.0111 119.3870 61.2865 39.4367 176.5573 65 L 3.9308 7.8380 114.5679 54.6463 41.2304 177.2632 66 E 3.7151 7.8953 117.2950 56.8835 27.4502 174.7402 67 G 3.8990 7.9272 109.1430 44.3291 0.0000 173.1838 68 L 4.5885 8.0239 119.0487 51.9186 42.8750 175.0817 69 P 4.2997 0.0000 0.0000 62.6626 31.6899 176.0646 70 N 4.6278 9.5550 122.7607 52.5689 38.0648 174.1920 71 L 4.5362 8.2348 124.1059 54.5071 42.4163 177.5082 72 Q 4.0945 8.3400 121.1848 57.6804 29.3950 175.4906 73 D 4.6292 8.1362 117.8596 52.6740 41.5351 175.2602 74 L 4.5575 8.3320 126.4257 52.8387 43.8362 176.6334 75 G 3.8118 8.3244 116.6064 44.6968 0.0000 171.2804 76 K 4.1138 8.3883 121.3645 55.5719 32.4381 177.2968 77 L 4.1004 8.4006 127.1603 54.7108 42.0753 177.5192 78 L 4.3611 8.6385 125.0468 53.5075 40.3302 174.5374 79 I 4.2173 7.9126 122.8453 59.6355 38.0729 176.6377 80 G 4.0178 8.6481 114.8757 44.9728 0.0000 172.4672 81 E 4.6645 8.6032 116.6473 56.3585 31.1803 176.1100 82 N 5.0184 7.6859 115.4962 50.6162 41.6713 175.1278 83 T 4.4116 8.5848 116.2786 67.1940 68.6396 176.4508 84 Q 3.9961 8.2356 120.7895 59.3971 29.0119 178.1180 85 E 4.0590 8.4689 119.1824 59.4107 29.4074 179.1795 86 M 3.9762 8.2846 118.8615 58.4009 31.9926 178.7642 87 L 4.1779 8.1096 119.0547 57.9813 41.7715 179.4361 88 Q 4.0239 8.1100 119.2625 59.2524 28.9619 177.9702 89 C 4.1769 8.8428 118.4052 63.1058 28.2378 175.7810 90 D 4.6964 8.6717 120.7850 57.3810 40.4112 178.8071 91 L 3.9534 8.4039 121.1621 58.2960 42.0391 178.4857 92 N 4.3201 8.5467 116.9053 56.5731 38.4918 177.1161 93 L 4.0264 8.0902 121.4807 58.2053 42.2114 178.9020 94 E 4.1118 8.4263 118.6885 59.1816 29.3962 179.2542 95 L 4.0220 8.1345 119.2647 57.5560 41.7057 179.3986 96 K 3.8946 7.9137 119.3940 59.5503 32.2441 178.5784 97 A 4.0272 8.1460 121.0326 55.5725 18.2608 179.4727 98 T 3.9497 8.0690 111.4539 64.7024 67.4420 176.7613 99 K 3.9209 8.0458 121.7457 59.6983 32.2954 178.4585 100 D 4.4387 8.2013 119.0667 57.4334 40.5890 179.0198 101 L 4.0649 7.9405 119.3349 57.7001 41.7493 179.5668 102 R 3.9325 7.9881 118.0247 59.1626 29.9707 178.9182 103 E 3.9506 8.3669 118.1718 59.4519 29.4312 179.2461 104 A 3.7182 8.0089 120.6980 55.1835 18.3856 179.7512 105 I 3.6285 8.0071 118.4497 64.3477 37.1095 178.7032 106 V 3.5714 7.7986 119.1316 66.2967 31.3423 177.6081 107 H 4.0604 8.0952 117.7400 59.3980 29.7528 176.6073 108 C 3.7721 8.1305 118.8812 63.1210 27.8851 175.8653 109 E 3.9416 8.2321 120.4191 59.4997 28.9317 178.7347 110 Q 3.9578 7.5713 118.1137 58.5381 29.1720 177.4336 111 V 3.9146 7.1673 110.5504 60.5657 31.7804 175.6417 112 H 2.9327 7.1573 114.1831 56.9871 26.7560 176.2953 113 D 4.4908 7.3172 120.5998 53.6063 38.3057 175.6075 114 Y 4.3270 7.5296 121.4443 60.2515 38.4739 177.4660 115 V 3.6673 7.8683 119.1958 65.9906 31.7316 178.0872 116 S 4.1514 8.6763 115.2092 61.4310 62.6736 176.4855 117 R 3.8622 7.9890 121.4468 59.5422 29.8932 177.9394 118 D 4.3342 8.2878 117.7286 57.2211 41.2176 177.6416 119 L 3.9195 7.8919 120.7987 58.6121 41.9641 179.2133 120 L 4.0516 7.9336 118.4755 57.4676 41.4576 179.4357 121 K 3.9657 8.2284 119.8738 59.5106 32.1159 178.6990 122 D 4.3523 8.1078 119.1581 57.3580 40.7063 178.7007 123 I 3.4790 7.7632 120.3626 64.2422 37.0001 178.2206 124 L 3.9770 8.1799 121.5250 58.1518 41.9077 178.6973 125 E 3.9622 8.4240 119.4283 59.2301 29.5629 178.7477 126 S 4.4489 8.0389 114.6857 60.8417 62.4756 175.9986 127 E 4.1088 8.7053 121.8999 59.4550 29.1149 179.1341 128 E 4.0753 8.6761 119.0623 59.3048 29.0203 179.3209 129 E 4.0120 8.2674 118.8678 59.6813 29.4707 178.7519 130 H 4.4118 8.3315 118.2987 59.3778 29.8968 177.3405 131 I 3.6984 7.9059 121.6842 64.2565 36.9115 177.7575 132 D 4.3155 8.4840 119.2208 57.5500 41.0172 177.5928 133 Y 4.1024 8.1874 119.8457 60.7605 38.9042 178.1639 134 L 3.7798 8.2927 119.8525 58.0243 41.8275 179.5206 135 E 3.9694 8.6085 118.7300 59.5654 29.2285 179.6452 136 T 3.8286 7.8316 116.0029 66.6245 68.4545 176.7849 137 Q 3.8022 7.8877 120.1098 58.8436 28.1581 178.7771 138 L 3.8860 7.7043 119.8639 57.4139 41.5612 179.7638 139 G 3.5797 8.0695 105.7586 47.9020 0.0000 175.7645 140 L 4.0419 7.9493 121.9192 57.4143 41.2871 179.6047 141 I 3.5737 7.5103 119.8416 64.4872 36.7196 178.4939 142 Q 3.9746 7.4705 117.1869 58.6822 28.6188 178.3144 143 K 4.1903 7.8382 118.5607 58.2826 32.4576 178.7531 144 V 4.2184 8.2638 110.3026 59.6904 32.9502 176.9760 145 G 4.1492 7.3151 104.4534 45.7789 0.0000 174.4647 146 L 3.9613 8.4841 121.6004 58.1169 42.0697 179.0389 147 E 3.9658 8.2359 117.8411 59.7344 29.4762 178.9262 148 N 4.2802 8.1949 115.5762 56.5404 38.4303 176.3399 149 Y 3.9841 7.8145 119.3571 60.9817 39.1526 178.1838 150 L 4.0792 8.3801 119.9606 57.6565 41.7025 179.0778 151 Q 3.9330 8.3783 119.9551 59.4416 28.7981 178.4053 152 S 4.3334 7.8830 113.0176 59.9963 63.1199 174.4088 153 H 4.6705 7.6210 118.4223 55.6499 29.7027 175.8782 154 M 4.2307 7.9089 120.8781 57.8975 31.9082 176.0595 155 H 5.1140 7.5770 113.8817 53.9357 30.7332 174.9082 156 E 4.1406 8.6699 121.3407 56.7838 29.3256 176.8422 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 G 8.35 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 4 D 8.42 4.15 0.00 2.85 2.56 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 5 K 9.66 3.84 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.54 7.81 6 K 8.03 4.50 0.00 2.00 1.66 0.00 1.97 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.65 1.33 7.81 7 V 8.32 3.66 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 1.20 0.00 0.00 1.02 0.00 0.00 8 I 7.78 3.70 2.03 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 1.52 0.55 0.91 0.00 0.00 9 Q 8.13 3.97 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 10 H 8.45 4.13 0.00 3.43 3.34 0.00 5.62 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 11 L 8.36 4.05 0.00 1.83 1.74 0.96 0.59 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 12 N 8.57 4.57 0.00 2.84 2.85 0.00 0.00 6.63 8.36 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 13 K 8.01 3.90 0.00 1.81 1.99 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.80 3.68 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.84 0.92 0.00 0.00 15 L 8.51 4.03 0.00 1.79 1.92 0.92 1.14 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 16 G 8.20 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.15 4.37 0.00 2.93 2.87 0.00 0.00 6.97 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.51 3.97 0.00 2.07 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 2.57 2.53 0.00 19 L 8.17 3.94 0.00 1.77 1.68 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.54 3.75 1.91 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 1.41 0.70 0.90 0.00 0.00 21 A 7.86 3.31 1.01 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 0.00 0.00 22 I 7.78 3.57 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.97 0.86 0.00 0.00 23 N 7.66 4.38 0.00 2.80 2.83 0.00 0.00 6.76 7.83 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 24 Q 8.10 3.83 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.23 0.00 25 Y 8.19 4.76 0.00 3.02 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 26 F 8.54 3.97 0.00 3.33 3.09 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 27 L 8.35 4.01 0.00 1.83 1.69 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.31 3.81 0.00 3.53 2.93 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.46 4.36 0.00 3.91 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 30 R 7.94 3.89 0.00 1.96 1.87 0.00 2.91 0.00 0.00 2.49 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 31 M 7.89 3.47 0.00 0.80 1.53 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 2.42 2.16 0.00 32 W 7.91 4.44 0.00 3.62 3.35 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 33 N 8.32 4.33 0.00 2.87 2.85 0.00 0.00 6.67 7.56 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 34 D 7.89 4.37 0.00 2.54 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.78 4.96 0.00 3.76 3.13 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 36 G 8.26 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 37 L 8.10 4.78 0.00 2.12 1.62 1.29 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.51 4.10 0.00 2.01 1.86 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.95 3.87 0.00 2.06 1.98 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 40 L 7.75 3.83 0.00 1.15 0.13 0.25 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.20 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 42 A 8.18 3.97 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 43 H 8.30 3.90 0.00 3.32 3.27 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.63 4.05 0.00 2.50 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 2.82 2.68 0.00 45 Y 8.15 4.05 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.03 0.00 3.33 3.24 0.00 5.87 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 47 E 8.10 3.81 0.00 1.95 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 2.21 2.13 0.00 48 S 8.11 4.27 0.00 4.20 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 49 I 7.67 3.56 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.20 0.83 0.00 0.00 50 D 8.25 4.29 0.00 2.91 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 51 E 8.16 4.16 0.00 2.17 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 2.76 2.58 0.00 52 M 8.13 4.04 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.54 0.00 53 K 8.05 4.02 0.00 1.84 1.82 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.63 7.81 54 H 8.10 4.30 0.00 3.52 3.34 0.00 5.64 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 55 A 8.15 3.97 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 56 D 8.05 4.28 0.00 2.81 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 57 K 7.97 3.98 0.00 2.05 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.65 7.81 58 L 8.17 4.03 0.00 1.84 1.73 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.33 3.72 2.05 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 1.52 0.77 0.92 0.00 0.00 60 E 8.45 4.01 0.00 2.01 2.00 0.00 0.00 0.00 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 2.51 0.00 61 R 8.11 3.97 0.00 2.07 2.11 0.00 3.28 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 I 7.98 3.73 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 1.54 0.55 0.95 0.00 0.00 63 L 7.98 3.99 0.00 1.99 1.78 0.93 1.11 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 64 F 8.01 4.29 0.00 2.97 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 65 L 7.84 3.93 0.00 1.79 1.63 0.97 0.76 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 66 E 7.90 3.72 0.00 2.01 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 2.17 2.24 0.00 67 G 7.93 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 0.00 0.00 0.00 68 L 8.02 4.59 0.00 1.60 1.59 0.91 0.98 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 69 P 0.00 4.30 0.00 2.04 2.00 0.00 3.66 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 2.03 2.09 0.00 70 N 9.55 4.63 0.00 2.62 2.83 0.00 0.00 7.15 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 71 L 8.23 4.54 0.00 1.63 1.64 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.34 4.09 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 73 D 8.14 4.63 0.00 2.69 2.58 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 0.00 0.00 0.00 0.00 74 L 8.33 4.56 0.00 1.51 1.51 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.32 3.81 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 0.00 0.00 0.00 76 K 8.39 4.11 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.51 7.81 77 L 8.40 4.10 0.00 1.63 1.56 0.88 1.00 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 78 L 8.64 4.36 0.00 1.78 1.68 0.99 0.88 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 79 I 7.91 4.22 1.88 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.91 0.00 0.00 80 G 8.65 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 81 E 8.60 4.66 0.00 2.02 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 2.29 2.49 0.00 82 N 7.69 5.02 0.00 2.87 2.80 0.00 0.00 6.27 7.22 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 83 T 8.58 4.41 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 1.52 0.00 0.00 84 Q 8.24 4.00 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 85 E 8.47 4.06 0.00 2.30 2.02 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 2.35 2.52 0.00 86 M 8.28 3.98 0.00 1.42 2.26 0.00 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.14 0.00 87 L 8.11 4.18 0.00 1.94 1.76 0.84 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.11 4.02 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.84 4.18 0.00 3.38 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 90 D 8.67 4.70 0.00 2.97 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 91 L 8.40 3.95 0.00 1.81 1.84 0.93 0.55 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 N 8.55 4.32 0.00 2.94 2.91 0.00 0.00 6.72 6.28 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 93 L 8.09 4.03 0.00 1.96 1.97 0.92 0.95 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 94 E 8.43 4.11 0.00 2.24 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 2.69 2.50 0.00 95 L 8.13 4.02 0.00 1.72 1.74 0.94 0.41 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 96 K 7.91 3.89 0.00 1.83 2.00 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.15 4.03 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 98 T 8.07 3.95 4.52 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 1.30 0.00 0.00 99 K 8.05 3.92 0.00 2.07 1.80 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 8.20 4.44 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.94 4.06 0.00 2.04 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 R 7.99 3.93 0.00 1.89 1.99 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 103 E 8.37 3.95 0.00 2.19 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 2.36 2.35 0.00 104 A 8.01 3.72 1.37 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 0.00 0.00 0.00 105 I 8.01 3.63 2.01 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 1.42 0.89 0.93 0.00 0.00 106 V 7.80 3.57 2.36 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 1.00 0.00 0.00 0.94 0.00 0.00 107 H 8.10 4.06 0.00 3.20 3.24 0.00 5.86 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 0.00 108 C 8.13 3.77 0.00 3.11 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 0.00 109 E 8.23 3.94 0.00 2.23 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 2.38 2.46 0.00 110 Q 7.57 3.96 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 111 V 7.17 3.91 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 0.62 0.00 0.00 0.81 0.00 0.00 112 H 7.16 2.93 0.00 3.08 3.19 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.32 4.49 0.00 2.61 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 0.00 114 Y 7.53 4.33 0.00 3.09 2.96 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 0.00 115 V 7.87 3.67 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 1.08 0.00 0.00 0.99 0.00 0.00 116 S 8.68 4.15 0.00 4.24 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 0.00 117 R 7.99 3.86 0.00 1.93 2.22 0.00 3.25 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 1.67 1.69 0.00 118 D 8.29 4.33 0.00 3.03 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 0.00 119 L 7.89 3.92 0.00 1.90 1.90 0.94 0.71 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 0.00 120 L 7.93 4.05 0.00 1.89 1.71 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.23 3.97 0.00 2.02 1.93 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.64 7.81 122 D 8.11 4.35 0.00 2.96 2.71 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 0.00 123 I 7.76 3.48 1.98 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 1.15 0.72 0.80 0.00 0.00 124 L 8.18 3.98 0.00 1.85 1.86 0.94 0.85 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 0.00 125 E 8.42 3.96 0.00 2.09 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 2.33 2.33 0.00 126 S 8.04 4.45 0.00 4.03 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 0.00 127 E 8.71 4.11 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 128 E 8.68 4.08 0.00 2.02 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 2.36 2.56 0.00 129 E 8.27 4.01 0.00 2.26 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 2.50 0.00 130 H 8.33 4.41 0.00 3.27 3.50 0.00 5.61 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 0.00 131 I 7.91 3.70 2.05 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 0.53 0.93 0.00 0.00 132 D 8.48 4.32 0.00 2.93 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 0.00 133 Y 8.19 4.10 0.00 3.15 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 0.00 134 L 8.29 3.78 0.00 2.09 1.68 1.10 0.99 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 0.00 135 E 8.61 3.97 0.00 1.94 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 2.31 2.50 0.00 136 T 7.83 3.83 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 1.16 0.00 0.00 137 Q 7.89 3.80 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.44 1.91 0.00 138 L 7.70 3.89 0.00 1.72 1.62 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.07 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.95 4.04 0.00 1.84 1.90 1.01 1.06 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 0.00 141 I 7.51 3.57 1.77 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.30 0.86 0.00 0.00 142 Q 7.47 3.97 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 143 K 7.84 4.19 0.00 1.75 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.77 7.81 144 V 8.26 4.22 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 0.78 0.00 0.00 1.10 0.00 0.00 145 G 7.32 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.48 3.96 0.00 1.77 1.69 0.96 0.90 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 0.00 147 E 8.24 3.97 0.00 2.06 2.00 0.00 0.00 0.00 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 2.42 0.00 148 N 8.19 4.28 0.00 3.01 2.90 0.00 0.00 6.63 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 0.00 149 Y 7.81 3.98 0.00 3.05 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 0.00 150 L 8.38 4.08 0.00 1.86 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.38 3.93 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 152 S 7.88 4.33 0.00 3.79 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 0.00 153 H 7.62 4.67 0.00 2.94 3.03 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.91 4.23 0.00 1.81 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 155 H 7.58 5.11 0.00 3.10 3.16 0.00 5.72 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 0.00 156 E 8.67 4.14 0.00 1.95 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 2.39 2.30 0.00