NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2218 8.1727 120.1328 56.8168 34.8142 174.1040 2 V 4.5205 8.1047 122.0476 60.9701 32.0673 174.7980 3 F 4.4254 9.3416 128.0656 57.3739 40.1053 174.8456 4 E 4.1876 9.0063 122.4536 55.8695 30.9083 176.8703 5 R 3.4553 9.0091 124.8310 60.3429 30.0291 179.6056 6 C 4.3785 8.4127 115.5720 59.6383 41.5526 175.7708 7 E 3.9156 8.3547 119.0574 59.2242 29.0766 178.7936 8 L 3.5343 8.1350 121.1718 57.7316 42.0949 178.6648 9 A 3.9339 7.8427 120.5606 55.4778 18.2569 179.9095 10 R 3.9042 8.0349 116.4003 59.4456 29.9839 179.2354 11 T 3.8545 8.0107 115.6796 66.8667 68.5907 176.6021 12 L 3.8719 8.0634 120.9368 57.4107 41.5883 179.5037 13 K 3.9398 8.0610 119.7482 59.6100 31.9471 179.0509 14 R 3.9793 7.9218 117.2482 58.9459 29.9994 178.0179 15 L 4.4425 7.2510 116.3458 54.2248 41.6867 177.0869 16 G 3.8723 7.7714 106.6480 46.6918 0.0000 175.1194 17 M 4.0045 7.8139 121.1416 56.4741 32.4044 175.9572 18 D 4.5329 8.0927 118.5121 55.3425 41.4782 175.9615 19 G 3.9121 9.4859 115.3480 45.6114 0.0000 171.7562 20 Y 4.0574 8.2342 121.9259 58.8569 38.9531 176.5778 21 R 3.5259 8.9721 127.5253 57.1938 27.8401 177.2348 22 G 3.7687 8.1925 103.6115 45.4560 0.0000 174.0700 23 I 4.0257 7.6172 122.0036 59.2289 37.0769 175.6643 24 S 4.5373 8.3490 121.2244 58.2313 64.6066 174.6954 25 L 4.1989 8.6653 124.1951 58.6116 41.7440 179.3222 26 A 4.1290 8.1694 120.0731 55.3540 18.2403 179.1666 27 N 4.4062 8.0124 114.9300 56.4045 38.5597 177.6991 28 W 4.2433 7.8088 120.2499 59.9131 29.0333 178.5256 29 M 4.1486 8.5719 119.0418 58.5769 31.4478 177.8745 30 C 3.3421 8.2486 118.9108 59.2275 44.0859 175.3477 31 L 3.9660 8.3744 121.9737 58.2694 41.8537 178.8110 32 A 4.1884 8.4175 120.8797 54.9924 18.2655 179.5593 33 K 2.9113 8.1782 118.1589 59.2847 32.0527 179.1658 34 W 4.2957 7.7072 117.4534 59.1972 29.0543 178.3155 35 E 4.3520 8.4123 118.8132 58.6492 29.2028 177.7294 36 S 4.5492 7.8325 109.0411 56.3521 64.8067 174.1455 37 G 3.3247 8.7001 109.0633 46.9519 0.0000 173.0754 38 Y 3.6329 7.8659 112.1370 58.8611 35.1340 168.8660 39 N 5.3154 7.6801 118.1094 51.8701 40.0539 175.2675 40 T 4.0114 8.9438 117.8510 63.8383 69.1196 175.9242 41 R 4.3660 8.1141 117.1274 55.6815 30.1071 176.1719 42 A 4.3325 7.7785 122.8147 52.7130 19.2234 177.1274 43 T 5.0356 8.3651 111.3072 60.1026 72.6319 173.3023 44 N 4.8163 8.6537 121.8084 52.5487 41.8848 172.6357 45 Y 4.5358 8.7737 128.3181 57.5344 40.6770 173.9811 46 N 4.7262 8.0593 124.2425 50.7995 38.4194 174.9554 47 A 3.6484 8.1842 126.6882 54.8158 19.0171 179.6057 48 G 3.7016 8.0783 104.1630 48.2063 0.0000 174.0059 49 D 4.7116 7.6299 115.4333 52.0309 39.9804 176.4011 50 R 4.0272 8.2987 116.5574 56.7297 28.4667 176.0915 51 S 4.8057 7.8485 113.8795 57.8016 65.5375 173.0641 52 T 5.1222 9.0698 116.2163 61.9862 72.9109 172.7755 53 D 5.4892 9.0375 125.0960 53.0372 43.5112 174.9812 54 Y 4.4570 9.2212 120.6311 57.5346 41.3452 176.9835 55 G 4.5557 9.3964 112.1456 46.5591 0.0000 173.4265 56 I 3.9964 8.1091 116.8965 62.6612 38.1009 177.5559 57 F 4.7706 7.9350 115.9884 56.4734 40.2184 175.0527 58 Q 3.5942 7.9362 119.1845 56.9886 26.3405 173.5176 59 I 4.5507 8.2972 119.2933 60.6173 39.3362 176.6250 60 N 5.6678 9.4001 125.6760 52.3840 40.1010 175.6306 61 S 4.5672 9.2203 120.0039 60.5401 63.3855 175.4263 62 R 3.7642 8.6531 122.4568 59.1246 30.3937 177.6521 63 Y 4.0102 7.8322 115.0557 58.2028 39.9283 177.0047 64 W 4.9503 7.9569 118.8783 57.5429 31.5855 173.9756 65 C 5.6538 8.1700 111.2567 53.6757 42.8893 172.9091 66 N 5.0281 8.8561 119.0455 52.2689 39.8390 174.8952 67 D 4.7410 9.0439 123.8433 52.5493 40.6855 176.5867 68 G 4.0819 8.5056 108.8008 45.2531 0.0000 174.5498 69 K 4.5280 8.2205 116.2521 56.4860 32.9353 175.5279 70 T 4.5612 7.7653 116.1089 61.1895 69.9681 172.4743 71 P 4.2324 0.0000 0.0000 63.7919 31.9080 176.1433 72 G 3.9278 8.6640 106.9063 46.2307 0.0000 173.2538 73 A 4.3078 7.3175 120.1150 51.3567 19.3330 177.9340 74 V 4.4418 8.0844 113.3469 59.0856 35.6691 175.5492 75 N 5.0569 8.0281 117.8018 52.1757 37.4467 174.5080 76 A 4.2338 8.7546 122.7873 54.8775 19.2510 179.0542 77 C 4.6018 8.8899 111.4870 56.4704 40.8773 173.6064 78 H 4.0628 8.0532 114.0786 56.2277 27.4830 174.4346 79 L 4.7665 8.0794 116.9380 53.6509 46.3512 176.6227 80 S 4.6476 8.3915 115.7825 58.1970 63.2321 176.0371 81 C 4.0302 8.8570 124.7358 59.7747 40.7322 176.3151 82 S 3.9222 7.8342 114.4674 61.3507 61.6082 175.9962 83 A 4.0499 7.8953 122.4781 54.3484 18.4012 178.4567 84 L 4.5203 7.7524 116.2942 54.8138 41.6820 177.4865 85 L 4.9980 7.6528 117.9743 54.5438 42.2061 176.6402 86 Q 4.3744 7.7768 117.7270 55.1867 29.6263 175.8377 87 D 4.4016 8.6699 120.4832 57.1320 41.0823 176.7650 88 N 4.6652 8.0232 117.8595 52.9296 39.4842 174.6966 89 I 4.2839 8.3642 118.4607 60.9385 38.0902 177.0173 90 A 3.9237 8.3965 124.9738 55.8979 18.1868 180.0301 91 D 4.2664 8.0770 116.5042 57.3981 40.9542 178.6364 92 A 4.0946 7.9943 120.8288 55.2069 18.3847 179.6479 93 V 3.3655 8.1520 116.7760 66.0158 31.6963 178.1268 94 A 3.8286 8.0123 120.5242 55.1867 18.1336 178.8678 95 C 4.1914 8.3185 116.7909 59.6940 38.5166 175.5056 96 A 3.9770 8.3528 122.8218 55.2291 17.6266 179.7206 97 K 3.7277 7.8179 116.3628 59.4193 32.2602 179.2761 98 R 4.0278 7.6841 118.6800 59.2299 29.8939 178.4631 99 V 2.1786 7.5638 118.4557 65.7066 30.9838 177.8088 100 V 3.9639 7.6246 109.3533 62.3914 31.4429 178.2839 101 R 4.1459 7.6335 117.7712 57.9071 30.2463 176.5454 102 D 4.6792 7.4100 119.0557 53.1778 41.4403 175.1205 103 P 4.5322 0.0000 0.0000 64.3121 31.6729 177.1216 104 Q 4.1748 8.0500 118.3931 55.7693 30.6134 176.7191 105 G 3.7842 7.7199 106.8556 46.5493 0.0000 175.6522 106 I 3.6639 7.9383 119.3049 63.8007 37.8946 178.1549 107 R 4.1917 7.2615 118.2011 58.2594 29.9950 177.6110 108 A 4.2863 7.5762 119.8074 53.4989 18.5222 177.5061 109 W 4.7979 8.2816 117.1539 55.4828 30.0144 177.6939 110 V 3.7360 8.6753 123.4528 65.7628 30.9561 177.7210 111 A 4.0582 8.2608 120.4714 54.5756 18.1551 179.1816 112 W 3.9816 8.2069 127.1139 60.7090 30.6195 178.2159 113 R 3.9737 8.2158 117.4284 58.7344 29.6163 178.3688 114 N 4.3479 8.0038 114.5520 55.7732 38.7221 176.8942 115 R 4.0923 7.6504 115.4928 55.8346 31.7638 175.9200 116 C 4.5109 7.1392 113.9601 57.9753 41.0652 174.2607 117 Q 3.2502 6.9034 120.8573 57.2128 28.7918 175.7018 118 N 3.9880 8.4772 120.4781 54.2719 36.3941 173.8959 119 R 4.4580 7.2953 114.4590 54.2117 32.9328 175.7455 120 D 4.6022 8.4068 118.8157 53.8629 40.4511 175.5889 121 V 4.6408 8.1202 118.9908 61.1981 32.3983 178.5635 122 R 4.0894 8.2440 122.7136 59.1668 30.0511 179.1610 123 Q 4.0179 8.0332 115.6626 59.0394 28.7668 178.0915 124 Y 4.1149 7.6920 115.5147 60.3081 38.0117 177.2378 125 V 4.3041 7.7790 110.6272 60.7025 32.4580 175.2200 126 Q 4.0476 7.6064 122.9033 57.3698 29.0543 176.5238 127 G 3.9710 8.9861 113.1828 45.9136 0.0000 174.2787 128 C 4.4570 7.9308 115.8699 56.5951 40.6743 174.0184 129 G 3.8645 8.1688 107.2497 46.7178 0.0000 174.1418 130 V 4.0218 7.8347 118.0652 61.1147 32.2612 175.7797 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 K 8.17 4.22 0.00 1.66 1.99 0.00 1.07 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.06 7.81 2 V 8.10 4.52 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 0.86 0.00 0.00 0.95 0.00 0.00 3 F 9.34 4.43 0.00 2.75 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 4 E 9.01 4.19 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 2.39 2.26 0.00 5 R 9.01 3.46 0.00 2.03 1.96 0.00 3.46 0.00 0.00 3.46 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.88 0.00 6 C 8.41 4.38 0.00 3.16 3.11 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 7 E 8.35 3.92 0.00 2.23 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 0.00 2.78 2.66 0.00 8 L 8.13 3.53 0.00 1.42 1.47 -0.09 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.84 3.93 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 10 R 8.03 3.90 0.00 1.89 1.99 0.00 3.15 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 T 8.01 3.85 4.23 0.00 0.00 0.00 0.00 0.00 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 12 L 8.06 3.87 0.00 1.74 1.59 0.91 0.71 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 13 K 8.06 3.94 0.00 1.96 1.90 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 R 7.92 3.98 0.00 2.08 1.96 0.00 3.20 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 15 L 7.25 4.44 0.00 1.58 1.56 0.84 0.87 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 16 G 7.77 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 17 M 7.81 4.00 0.00 1.48 2.04 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.24 0.00 18 D 8.09 4.53 0.00 2.68 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 19 G 9.49 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.23 4.06 0.00 3.40 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.97 3.53 0.00 1.77 1.78 0.00 3.20 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 22 G 8.19 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 0.00 0.00 0.00 23 I 7.62 4.03 1.88 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.75 -0.28 0.00 0.00 24 S 8.35 4.54 0.00 4.10 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 25 L 8.67 4.20 0.00 2.08 1.82 1.03 1.19 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 26 A 8.17 4.13 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 27 N 8.01 4.41 0.00 2.76 2.76 0.00 0.00 7.15 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 28 W 7.81 4.24 0.00 3.48 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 29 M 8.57 4.15 0.00 2.16 2.38 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.91 0.00 30 C 8.25 3.34 0.00 2.58 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 31 L 8.37 3.97 0.00 1.83 1.83 0.53 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.42 4.19 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 2.91 0.00 1.58 1.50 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.26 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.63 1.41 7.81 34 W 7.71 4.30 0.00 3.40 3.22 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 35 E 8.41 4.35 0.00 2.04 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 0.00 2.58 2.41 0.00 36 S 7.83 4.55 0.00 4.11 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 37 G 8.70 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.87 3.63 0.00 3.22 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 39 N 7.68 5.32 0.00 2.85 2.84 0.00 0.00 7.03 7.11 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 40 T 8.94 4.01 4.41 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 0.00 0.00 0.00 1.45 0.00 0.00 41 R 8.11 4.37 0.00 1.99 2.09 0.00 3.08 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.58 0.00 42 A 7.78 4.33 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 43 T 8.37 5.04 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 1.18 0.00 0.00 44 N 8.65 4.82 0.00 2.86 2.77 0.00 0.00 7.08 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 45 Y 8.77 4.54 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.06 4.73 0.00 2.67 2.57 0.00 0.00 6.90 6.59 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 47 A 8.18 3.65 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 48 G 8.08 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.63 4.71 0.00 2.71 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 50 R 8.30 4.03 0.00 2.03 2.21 0.00 3.15 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 51 S 7.85 4.81 0.00 4.03 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 52 T 9.07 5.12 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 0.74 0.00 0.00 53 D 9.04 5.49 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.22 4.46 0.00 3.06 2.91 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 55 G 9.40 4.56 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 56 I 8.11 4.00 1.70 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 0.96 1.79 0.01 0.00 0.00 57 F 7.94 4.77 0.00 3.23 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 58 Q 7.94 3.59 0.00 2.58 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.13 0.00 0.00 0.00 0.00 0.00 2.53 2.73 0.00 59 I 8.30 4.55 2.15 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.11 1.14 0.00 0.00 60 N 9.40 5.67 0.00 3.08 3.00 0.00 0.00 7.51 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.22 4.57 0.00 4.04 4.35 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 62 R 8.65 3.76 0.00 1.69 1.64 0.00 2.67 0.00 0.00 2.78 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.03 0.00 63 Y 7.83 4.01 0.00 1.87 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 64 W 7.96 4.95 0.00 3.46 3.28 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 65 C 8.17 5.65 0.00 3.03 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 66 N 8.86 5.03 0.00 2.87 2.70 0.00 0.00 7.07 8.07 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 67 D 9.04 4.74 0.00 2.83 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 68 G 8.51 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 0.00 0.00 0.00 0.00 69 K 8.22 4.53 0.00 1.88 1.89 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.68 1.46 7.81 70 T 7.77 4.56 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 1.18 0.00 0.00 71 P 0.00 4.23 0.00 2.14 1.97 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 72 G 8.66 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 73 A 7.32 4.31 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 74 V 8.08 4.44 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 0.56 0.00 0.00 0.84 0.00 0.00 75 N 8.03 5.06 0.00 2.71 2.65 0.00 0.00 6.97 7.97 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 76 A 8.75 4.23 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 77 C 8.89 4.60 0.00 3.22 3.22 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 78 H 8.05 4.06 0.00 3.41 3.36 0.00 5.51 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 79 L 8.08 4.77 0.00 1.71 1.52 0.92 0.77 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 80 S 8.39 4.65 0.00 3.82 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 81 C 8.86 4.03 0.00 2.22 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 82 S 7.83 3.92 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.90 4.05 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 84 L 7.75 4.52 0.00 1.96 1.83 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.65 5.00 0.00 1.79 1.73 1.15 1.00 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 86 Q 7.78 4.37 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 7.31 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 87 D 8.67 4.40 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.02 4.67 0.00 2.69 2.74 0.00 0.00 6.92 7.95 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 89 I 8.36 4.28 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.69 1.00 0.00 0.00 90 A 8.40 3.92 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 91 D 8.08 4.27 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.99 4.09 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 93 V 8.15 3.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.89 0.00 0.00 94 A 8.01 3.83 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 95 C 8.32 4.19 0.00 3.13 3.28 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 96 A 8.35 3.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.82 3.73 0.00 1.47 1.26 0.00 1.22 0.00 0.00 0.69 0.00 0.00 2.31 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.30 0.80 7.81 98 R 7.68 4.03 0.00 1.98 2.05 0.00 3.26 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 99 V 7.56 2.18 1.68 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 -0.30 0.00 0.00 -0.59 0.00 0.00 100 V 7.62 3.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.43 0.00 0.00 101 R 7.63 4.15 0.00 1.98 2.04 0.00 3.23 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.07 0.00 102 D 7.41 4.68 0.00 3.01 2.65 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 0.00 103 P 0.00 4.53 0.00 2.16 2.16 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 104 Q 8.05 4.17 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 5.84 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 105 G 7.72 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.94 3.66 1.08 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.83 -0.70 0.00 0.00 107 R 7.26 4.19 0.00 1.99 2.06 0.00 3.34 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 108 A 7.58 4.29 0.93 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 0.00 109 W 8.28 4.80 0.00 3.53 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.68 3.74 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 111 A 8.26 4.06 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 0.00 112 W 8.21 3.98 0.00 3.39 3.45 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 0.00 113 R 8.22 3.97 0.00 2.00 1.99 0.00 3.38 0.00 0.00 2.38 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.85 0.00 114 N 8.00 4.35 0.00 2.53 2.69 0.00 0.00 6.94 7.00 0.00 0.00 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 R 7.65 4.09 0.00 1.30 0.66 0.00 2.21 0.00 0.00 2.55 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.02 0.00 116 C 7.14 4.51 0.00 1.69 2.65 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 0.00 117 Q 6.90 3.25 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.26 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 118 N 8.48 3.99 0.00 2.76 2.79 0.00 0.00 6.86 7.62 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 0.00 119 R 7.30 4.46 0.00 1.83 1.81 0.00 3.15 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 120 D 8.41 4.60 0.00 2.64 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 0.00 121 V 8.12 4.64 2.39 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 0.92 0.00 0.00 1.04 0.00 0.00 122 R 8.24 4.09 0.00 2.01 2.01 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 1.69 1.70 0.00 123 Q 8.03 4.02 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.60 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 124 Y 7.69 4.11 0.00 3.23 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 0.00 125 V 7.78 4.30 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 1.03 0.00 0.00 1.04 0.00 0.00 126 Q 7.61 4.05 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 127 G 8.99 3.97 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 0.00 0.00 0.00 128 C 7.93 4.46 0.00 2.95 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 0.00 129 G 8.17 3.86 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 0.00 0.00 0.00 130 V 7.83 4.02 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 0.76 0.00 0.00 0.96 0.00 0.00