NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 G 3.9830 8.3549 109.7381 45.9684 0.0000 174.8871 5 S 4.4498 8.6409 115.3658 59.2340 63.9576 174.4684 6 R 3.7836 8.3312 120.7580 59.3844 30.8493 177.5950 7 R 3.6642 7.9162 116.7917 58.7946 29.9641 176.3518 8 Y 4.5324 7.8191 112.7659 57.4774 38.1415 174.9224 9 D 4.5960 7.6869 120.6045 53.5800 40.8569 176.5921 10 S 4.1308 8.6996 123.8216 59.6480 63.9915 174.2945 11 R 3.7966 8.4153 119.6872 57.2219 26.7683 177.0587 12 T 4.1347 7.7724 106.5041 63.3178 70.1093 175.4348 13 T 4.6002 7.2734 110.8506 60.2889 68.2786 172.5958 14 I 4.6052 7.0896 114.4299 59.4925 41.5142 175.5303 15 F 4.7137 8.4845 119.7569 56.7763 39.9529 176.1100 16 S 4.5447 8.5394 118.6103 55.8185 64.0589 173.5391 17 P 4.3692 0.0000 0.0000 65.0101 31.0292 177.3244 18 E 4.3008 8.1231 115.9841 55.7225 29.5783 176.0277 19 G 3.6384 8.2273 107.2230 46.7223 0.0000 174.0601 20 R 4.5906 7.9367 117.5246 54.1785 32.7002 175.9438 21 L 4.7401 7.8245 120.1580 53.8495 41.2274 177.3806 22 Y 3.5949 7.4137 119.4212 60.9682 38.0931 178.1752 23 Q 3.9914 7.9952 118.1599 59.1623 28.9249 179.4990 24 V 3.5394 7.5867 118.4387 65.9754 31.7099 177.4806 25 E 3.9793 8.1624 118.4324 60.0266 29.3872 179.2150 26 Y 4.4274 8.3633 116.5901 60.9920 37.8146 178.4818 27 A 4.0576 8.6067 122.1527 55.1719 18.4740 179.6295 28 L 3.9127 8.3110 117.8613 58.0053 41.4936 179.2462 29 E 3.9131 8.0725 118.0696 59.3355 29.7201 178.7348 30 S 4.2962 8.0823 113.1288 61.5430 62.4730 176.0811 31 I 3.7316 7.9116 122.9096 64.3227 36.6313 178.1020 32 S 4.2027 8.0761 113.3460 60.3848 62.7857 174.4087 33 H 4.7218 7.8173 118.1011 55.5665 29.5878 174.8039 34 A 4.2651 7.9280 123.3139 51.1094 18.9893 177.4936 35 G 4.0286 8.4907 106.8541 46.3132 0.0000 173.5374 36 T 4.2983 8.6361 119.8682 63.3416 69.8386 173.1143 37 A 5.1800 8.5545 126.6351 50.1901 21.9648 175.2987 38 I 4.5993 9.6304 123.6766 59.3061 41.2579 174.9133 39 G 4.4323 8.7356 112.2166 44.5435 0.0000 171.7471 40 I 4.6541 8.8109 126.5293 59.5931 40.5463 174.2221 41 M 4.6609 8.7575 126.8896 54.0941 33.2096 175.4861 42 A 4.5342 8.6805 131.2066 50.9287 20.8470 176.5341 43 S 4.3907 8.5465 111.6128 60.2724 63.4956 174.7300 44 D 4.8808 8.8213 118.9043 51.0781 39.5612 175.6028 45 G 4.0607 6.9212 109.1853 46.3904 0.0000 171.3563 46 I 5.1077 7.7588 118.8929 59.3236 40.9868 175.6022 47 V 4.4935 8.8240 123.8811 61.1115 34.7449 174.1298 48 L 5.2661 8.6851 126.5218 52.9065 44.3252 175.6661 49 A 4.8270 9.4659 125.0805 50.1248 22.3191 174.6053 50 A 4.9121 8.5516 122.5053 50.1488 22.6826 174.7285 51 E 4.4692 8.9663 121.8698 54.2351 31.4963 175.6369 52 R 4.1555 8.5986 126.7753 56.1148 30.3773 176.2560 53 K 4.0106 8.6767 124.9392 56.6453 33.0192 173.7654 54 V 3.1438 8.5759 129.1116 63.0736 31.5868 171.5739 55 T 4.7066 8.0954 114.6456 60.5715 72.1667 172.0095 56 S 4.6408 8.0321 114.8659 57.0051 65.7672 174.7900 57 T 3.9948 8.4699 119.1152 66.6131 68.2011 176.3685 58 L 4.0738 7.7307 120.0235 56.6453 41.9220 177.0951 59 L 3.8208 7.1664 119.8639 54.9187 42.0146 176.0742 60 E 4.0132 8.7338 127.6550 56.4167 30.0524 175.7776 61 Q 4.2414 8.6480 127.9154 58.2240 29.8824 177.2803 62 D 4.4005 8.1318 116.7107 57.1938 40.9223 177.2532 63 T 4.2571 7.7052 113.1418 63.9643 69.2827 174.7147 63A S 4.5389 7.5235 116.2546 58.1082 63.4840 174.7893 64 T 4.5799 7.8464 121.8276 62.8319 69.8678 173.3447 65 E 4.5136 7.9391 117.8353 56.6481 31.0934 177.8693 66 K 4.7283 7.5341 116.1608 55.9334 36.6546 175.4016 67 L 5.1956 7.6823 119.2620 53.0922 43.6933 175.5945 68 Y 4.7429 8.7330 121.8269 55.7991 41.5030 175.1383 69 K 4.5436 8.7977 124.9063 55.9162 33.1488 176.0913 70 L 4.3799 8.5114 126.4045 56.1630 42.6426 175.5200 71 N 4.9745 7.5041 113.4051 52.4312 41.8962 172.7757 72 D 4.5977 8.6894 116.4329 55.9480 41.4031 177.1556 73 K 4.7109 8.0250 116.0848 55.8438 34.5411 175.5233 74 I 5.1907 7.7084 120.7834 59.5247 41.1133 174.2011 75 A 5.1354 8.9737 126.0410 50.7407 23.1949 175.3272 76 V 4.9809 8.8129 111.3850 59.5043 36.5126 174.4968 77 A 5.2811 8.8141 124.3168 50.3222 21.4433 175.6888 78 V 4.6956 8.9281 122.4669 61.3323 34.0155 175.5582 79 A 4.2822 8.8721 127.5575 53.3382 21.5155 174.0692 80 G 3.7203 8.7385 112.4505 45.0258 0.0000 172.7022 81 L 4.0537 8.6837 125.5033 55.0735 41.7758 177.8623 82 T 3.8571 8.8258 121.6546 66.5824 68.2682 176.1705 83 A 3.9931 8.0051 121.9495 55.4600 18.5937 179.2212 84 D 4.4399 8.1483 116.5394 57.3771 40.8579 178.5030 85 A 3.9997 8.1236 121.3236 55.4514 18.3097 179.2980 86 E 3.6510 8.2347 116.8386 59.6497 29.4171 179.6290 87 I 3.7036 7.5018 119.4796 64.5745 37.2498 178.4743 88 L 3.7803 7.6362 118.9562 57.7863 41.3761 179.1646 89 I 3.4080 8.2907 120.5565 64.6283 37.0788 177.5436 90 N 4.2199 8.4125 117.8150 57.2222 38.6958 176.9777 91 T 3.8771 7.7104 110.6805 64.6131 68.6978 176.2398 92 A 3.9505 7.9664 123.5103 55.1342 18.3439 179.6167 93 R 3.8875 8.0887 116.6523 59.5180 30.1419 179.3034 94 I 3.7257 7.8626 119.2971 64.7443 37.2029 177.5888 95 H 4.1785 8.5046 119.0545 59.6915 29.5495 176.8452 96 A 3.9751 8.0815 122.1201 55.3582 18.1970 179.6458 97 Q 4.0894 7.9977 116.5396 58.7821 28.7430 178.5986 98 N 4.3739 8.2600 117.9830 56.1770 38.5372 176.6715 99 Y 4.0286 8.1878 120.9697 60.8170 38.9380 178.0031 100 L 4.3285 8.0833 122.5051 57.6023 41.9361 178.8306 101 K 3.9804 8.0041 118.6058 59.1321 32.1418 178.6232 102 T 3.8714 7.5472 115.4556 65.6994 68.6525 175.7653 103 Y 4.5022 7.7902 116.8899 56.7721 38.6971 176.3927 104 N 4.5600 8.2165 115.8241 53.9662 36.5597 173.7529 105 E 4.8328 7.6211 113.2079 54.3160 33.6069 175.1326 106 D 4.5361 8.6995 122.2444 54.0590 41.5367 176.2987 107 I 2.8259 8.2439 123.5398 59.9243 38.4854 174.5245 108 P 4.1782 0.0000 0.0000 62.2458 32.9326 177.1218 109 V 3.4684 8.2478 122.1116 66.4138 31.3866 178.2584 110 E 3.7571 7.9357 118.0962 59.1876 29.1123 178.3562 111 I 3.5980 7.5919 119.4076 64.3868 37.2058 177.9609 112 L 3.8427 7.4058 120.9886 58.1141 41.9722 179.1000 113 V 3.0237 7.3867 118.2091 65.8317 31.2356 177.9847 114 R 3.8562 8.3103 118.8940 59.0758 29.7799 178.5968 115 R 3.8194 7.6732 118.1508 59.3650 30.3196 178.1566 116 L 3.9185 7.6931 119.6507 58.3877 42.0194 179.1595 117 S 4.2267 8.2235 115.0189 61.6771 62.7635 176.3503 118 D 4.4346 8.3104 121.7894 57.3140 40.3130 178.7667 119 I 3.8122 7.7861 119.4847 64.4542 36.9486 178.1942 120 K 4.2541 7.9478 118.7237 59.7494 31.9418 178.9370 121 Q 4.1656 8.7002 120.2677 59.2334 28.7525 178.8953 122 G 3.6064 8.1945 106.5424 48.0937 0.0000 174.9840 123 Y 3.9811 7.8474 115.6272 59.4677 37.8807 177.6897 124 T 4.3212 7.6735 116.4067 63.9706 69.4362 174.9327 125 Q 4.4446 7.8799 119.6751 55.9185 30.7385 174.2265 126 H 4.5773 7.7066 110.2762 55.8269 31.0554 173.8696 127 G 3.7869 8.7050 108.6112 44.2749 0.0000 174.3382 128 G 3.9778 7.7634 105.9638 46.2049 0.0000 173.1251 129 L 4.7019 7.0450 116.8945 52.1724 43.9445 176.7226 130 R 4.1786 8.1252 116.6206 55.3036 30.2522 174.7355 131 P 4.5117 0.0000 0.0000 61.8522 32.2950 175.8948 132 F 4.3567 8.5228 118.8703 57.3581 39.8333 177.6127 133 G 4.0393 8.9767 116.2405 45.1242 0.0000 172.4722 134 V 4.8835 7.2674 118.7664 61.6332 35.7153 174.6878 135 S 4.6267 8.4418 121.0287 56.7043 66.7116 173.0485 136 F 5.2887 8.7412 121.6562 55.6813 42.1126 174.9452 137 I 4.5003 8.3648 122.3154 59.9670 39.7316 174.0324 138 Y 5.0208 8.9212 125.0215 56.4447 39.6815 175.1967 139 A 4.7027 9.3113 126.2851 50.3535 21.5916 175.1431 140 G 4.4718 8.5482 107.7063 45.9976 0.0000 170.4387 141 Y 4.9669 8.8176 120.6592 55.7575 41.5896 174.0403 142 D 4.5960 7.5088 124.2089 51.6047 42.6983 174.0881 143 D 4.5817 8.3522 117.1313 53.5041 39.5048 176.4262 144 R 4.0854 8.5811 126.2763 57.0840 30.2239 174.9765 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 4 G 8.35 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.64 4.45 0.00 4.04 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 6 R 8.33 3.78 0.00 1.83 1.94 0.00 3.15 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 7 R 7.92 3.66 0.00 1.46 0.93 0.00 2.47 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.36 0.00 8 Y 7.82 4.53 0.00 2.94 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 9 D 7.69 4.60 0.00 2.68 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 10 S 8.70 4.13 0.00 3.91 3.92 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 11 R 8.42 3.80 0.00 2.03 1.97 0.00 3.12 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 12 T 7.77 4.13 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 1.22 0.00 0.00 13 T 7.27 4.60 4.29 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 1.20 0.00 0.00 14 I 7.09 4.61 1.94 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 1.63 0.93 0.98 0.00 0.00 15 F 8.48 4.71 0.00 3.07 2.84 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 16 S 8.54 4.54 0.00 3.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.37 0.00 2.09 2.18 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 18 E 8.12 4.30 0.00 1.88 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 2.25 2.34 0.00 19 G 8.23 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.94 4.59 0.00 1.63 1.89 0.00 3.04 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 21 L 7.82 4.74 0.00 1.58 1.48 0.82 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.41 3.59 0.00 2.78 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 0.00 0.00 0.00 0.00 23 Q 8.00 3.99 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 24 V 7.59 3.54 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 1.16 0.00 0.00 0.91 0.00 0.00 25 E 8.16 3.98 0.00 2.06 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 2.37 2.41 0.00 26 Y 8.36 4.43 0.00 3.05 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 27 A 8.61 4.06 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 28 L 8.31 3.91 0.00 1.94 1.75 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.07 3.91 0.00 2.04 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 0.00 2.35 2.43 0.00 30 S 8.08 4.30 0.00 3.99 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 31 I 7.91 3.73 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.77 0.93 0.00 0.00 32 S 8.08 4.20 0.00 3.94 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 33 H 7.82 4.72 0.00 3.28 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.93 4.27 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 35 G 8.49 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 0.00 0.00 0.00 36 T 8.64 4.30 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 1.21 0.00 0.00 37 A 8.55 5.18 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 38 I 9.63 4.60 1.88 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 1.17 0.67 0.92 0.00 0.00 39 G 8.74 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 0.00 0.00 0.00 0.00 40 I 8.81 4.65 1.88 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 1.12 0.83 0.92 0.00 0.00 41 M 8.76 4.66 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 42 A 8.68 4.53 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 43 S 8.55 4.39 0.00 4.00 4.01 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 44 D 8.82 4.88 0.00 2.75 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 45 G 6.92 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 0.00 0.00 0.00 0.00 46 I 7.76 5.11 1.91 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 1.27 0.77 0.94 0.00 0.00 47 V 8.82 4.49 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 1.06 0.00 0.00 0.94 0.00 0.00 48 L 8.69 5.27 0.00 1.53 1.54 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.47 4.83 1.17 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 0.00 0.00 50 A 8.55 4.91 1.17 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 0.00 0.00 51 E 8.97 4.47 0.00 2.03 1.82 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 2.22 2.26 0.00 52 R 8.60 4.16 0.00 1.83 1.88 0.00 3.24 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 53 K 8.68 4.01 0.00 1.72 1.71 0.00 2.10 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 54 V 8.58 3.14 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 0.93 0.00 0.00 55 T 8.10 4.71 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 1.21 0.00 0.00 56 S 8.03 4.64 0.00 3.81 3.69 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 57 T 8.47 3.99 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 1.21 0.00 0.00 58 L 7.73 4.07 0.00 1.64 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.17 3.82 0.00 1.69 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.73 4.01 0.00 1.95 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 2.29 2.35 0.00 61 Q 8.65 4.24 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.23 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 62 D 8.13 4.40 0.00 2.68 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 63 T 7.71 4.26 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 1.21 0.00 0.00 63A S 7.52 4.54 0.00 4.06 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 64 T 7.85 4.58 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 65 E 7.94 4.51 0.00 2.11 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 2.32 0.00 66 K 7.53 4.73 0.00 1.64 1.82 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.45 7.81 67 L 7.68 5.20 0.00 1.34 1.48 0.91 0.73 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 68 Y 8.73 4.74 0.00 2.84 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 69 K 8.80 4.54 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 70 L 8.51 4.38 0.00 1.81 1.68 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.50 4.97 0.00 2.61 2.77 0.00 0.00 6.98 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.69 4.60 0.00 2.73 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 73 K 8.02 4.71 0.00 1.72 2.05 0.00 1.73 0.00 0.00 2.10 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 74 I 7.71 5.19 1.88 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 1.26 0.57 0.96 0.00 0.00 75 A 8.97 5.14 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 0.00 0.00 76 V 8.81 4.98 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 0.26 0.00 0.00 0.82 0.00 0.00 77 A 8.81 5.28 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 78 V 8.93 4.70 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 0.67 0.00 0.00 1.30 0.00 0.00 79 A 8.87 4.28 1.16 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 80 G 8.74 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 0.00 0.00 0.00 81 L 8.68 4.05 0.00 1.64 1.65 0.92 0.87 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 82 T 8.83 3.86 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 1.33 0.00 0.00 83 A 8.01 3.99 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 84 D 8.15 4.44 0.00 2.93 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.12 4.00 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 86 E 8.23 3.65 0.00 2.10 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 2.05 2.53 0.00 87 I 7.50 3.70 2.14 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 1.82 1.58 1.04 0.00 0.00 88 L 7.64 3.78 0.00 1.94 1.64 0.53 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.29 3.41 1.82 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.39 0.77 0.00 0.00 90 N 8.41 4.22 0.00 2.78 2.81 0.00 0.00 7.09 7.31 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 91 T 7.71 3.88 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 1.24 0.00 0.00 92 A 7.97 3.95 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 93 R 8.09 3.89 0.00 2.01 2.01 0.00 3.13 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 1.84 1.83 0.00 94 I 7.86 3.73 2.06 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 1.66 1.20 0.94 0.00 0.00 95 H 8.50 4.18 0.00 3.29 3.54 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 96 A 8.08 3.98 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 97 Q 8.00 4.09 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 98 N 8.26 4.37 0.00 3.01 2.90 0.00 0.00 6.50 6.78 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 99 Y 8.19 4.03 0.00 3.22 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 0.00 100 L 8.08 4.33 0.00 2.00 1.87 1.09 0.51 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 0.00 101 K 8.00 3.98 0.00 1.95 1.90 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 102 T 7.55 3.87 3.63 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 0.18 0.00 0.00 103 Y 7.79 4.50 0.00 2.56 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 0.00 104 N 8.22 4.56 0.00 2.91 2.97 0.00 0.00 6.72 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 0.00 105 E 7.62 4.83 0.00 2.18 1.89 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 2.27 2.47 0.00 106 D 8.70 4.54 0.00 2.70 2.64 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 0.00 0.00 0.00 107 I 8.24 2.83 1.69 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.36 0.77 0.00 0.00 108 P 0.00 4.18 0.00 1.97 1.80 0.00 2.82 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 109 V 8.25 3.47 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 0.91 0.00 0.00 0.88 0.00 0.00 110 E 7.94 3.76 0.00 1.97 1.82 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 2.28 2.29 0.00 111 I 7.59 3.60 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.64 0.72 0.00 0.00 112 L 7.41 3.84 0.00 1.47 1.65 0.85 0.78 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 0.00 113 V 7.39 3.02 1.84 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 0.47 0.00 0.00 -0.24 0.00 0.00 114 R 8.31 3.86 0.00 1.81 1.86 0.00 3.14 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 115 R 7.67 3.82 0.00 1.99 2.09 0.00 3.15 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 116 L 7.69 3.92 0.00 1.94 1.71 0.76 0.80 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 0.00 117 S 8.22 4.23 0.00 4.07 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 0.00 118 D 8.31 4.43 0.00 2.98 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 I 7.79 3.81 2.03 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 1.79 0.73 1.00 0.00 0.00 120 K 7.95 4.25 0.00 2.13 1.95 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.58 7.81 121 Q 8.70 4.17 0.00 2.19 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 122 G 8.19 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 0.00 123 Y 7.85 3.98 0.00 3.17 3.04 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 0.00 124 T 7.67 4.32 4.53 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 1.14 0.00 0.00 125 Q 7.88 4.44 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 126 H 7.71 4.58 0.00 3.17 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.71 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.76 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.04 4.70 0.00 1.75 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.13 4.18 0.00 1.90 1.92 0.00 3.00 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 131 P 0.00 4.51 0.00 2.09 2.09 0.00 3.67 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 2.03 2.12 0.00 132 F 8.52 4.36 0.00 2.85 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 0.00 133 G 8.98 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 0.00 0.00 0.00 134 V 7.27 4.88 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 -0.30 0.00 0.00 0.82 0.00 0.00 135 S 8.44 4.63 0.00 3.68 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 0.00 136 F 8.74 5.29 0.00 2.53 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 0.00 0.00 0.00 137 I 8.36 4.50 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.74 0.96 0.00 0.00 138 Y 8.92 5.02 0.00 2.75 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 0.00 139 A 9.31 4.70 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 0.00 140 G 8.55 4.47 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 0.00 141 Y 8.82 4.97 0.00 2.98 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 7.51 4.60 0.00 2.57 2.40 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 0.00 143 D 8.35 4.58 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.58 4.09 0.00 1.62 1.81 0.00 3.23 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.46 0.00