NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 A 4.1101 8.2601 123.5784 52.1247 20.2101 177.5658 12 A 3.8193 8.5129 127.6701 53.1746 16.9720 174.4897 13 V 4.5630 7.1871 119.5301 59.4193 32.7800 172.4102 14 E 4.1071 8.4472 126.7031 55.8329 31.1744 174.2482 15 E 5.0004 8.5942 125.6679 54.6274 31.6070 174.9007 16 V 4.2306 8.7474 127.5320 61.5341 32.4170 175.7208 17 G 4.0773 9.3857 116.7248 45.4833 0.0000 173.2517 18 S 4.6121 7.5219 113.4396 55.9168 66.7623 175.0358 19 A 4.1981 8.6886 124.7638 55.4022 18.1209 180.2401 20 G 3.6217 8.1220 103.5904 48.2326 0.0000 175.7356 21 Q 4.0441 8.1719 120.8314 58.4417 28.6715 178.7547 22 F 4.0215 8.3926 121.6774 61.2973 39.4566 176.9441 23 E 3.8782 8.6269 118.6423 59.4781 29.2609 179.0900 24 E 3.8704 8.1767 119.2436 58.9886 29.6361 178.4559 25 L 3.7997 7.9751 120.6426 58.1735 41.8819 178.8959 26 L 3.6031 7.2166 117.4912 57.6017 41.6192 179.3379 27 R 3.9587 7.6151 118.0134 59.4938 29.8848 178.5145 28 L 3.9987 8.0294 117.7380 57.1758 41.8453 178.7670 29 K 4.3929 7.9354 116.1221 55.9728 32.1398 177.9377 30 A 3.9432 7.5967 125.8375 55.2889 18.2906 179.9069 31 K 4.4744 7.9200 111.8533 56.3596 32.3366 175.7416 32 S 4.7197 7.8630 113.3655 55.9366 66.4207 172.9166 33 L 4.4254 8.2375 122.1702 54.8379 43.1442 174.9432 34 L 4.9663 8.8223 127.7868 53.1523 45.2098 174.8534 35 V 4.4426 8.6964 126.4309 60.9699 34.1225 174.1239 36 V 4.6971 8.7914 128.6302 61.4142 33.8653 173.9001 37 H 4.8884 9.1185 129.7420 55.0863 31.0198 174.1186 38 F 4.7739 9.3481 127.3171 56.8440 39.9464 175.1153 39 W 5.4391 9.2666 120.1663 54.5483 32.5739 173.7738 40 A 4.1995 7.7400 120.4134 48.9703 21.2103 175.4278 41 P 3.8355 0.0000 0.0000 63.7988 31.6055 176.9711 42 W 4.5296 7.0538 114.5842 56.3753 29.2492 175.6375 43 A 4.5620 7.1486 124.2403 50.2697 18.8834 176.4261 44 P 4.3753 0.0000 0.0000 66.0871 31.3351 178.4566 45 Q 4.0290 8.2383 117.6492 59.5020 28.5658 178.7840 46 C 4.4126 8.0855 116.8005 62.2725 27.8680 176.0680 47 A 4.0333 7.9527 122.3710 55.0495 17.9678 179.0660 48 Q 3.9509 8.0935 118.1115 59.9225 29.1200 178.6984 49 M 4.1939 8.2043 119.1994 58.0342 32.0283 178.4957 50 N 4.3513 8.5089 117.2283 56.1292 38.7185 177.2616 51 E 3.9074 7.9029 119.9204 59.2047 29.4732 179.3903 52 V 3.4921 7.4985 118.0792 66.3692 31.5143 177.9631 53 M 3.7114 8.3149 118.4988 58.2509 31.6589 178.6806 54 A 3.8221 7.8884 120.9351 54.9992 18.5416 179.6090 55 E 3.8147 7.9032 116.7147 59.3905 29.5182 179.4362 56 L 3.7507 7.8202 118.9984 57.7154 41.3830 179.4042 57 A 3.8259 7.2222 119.7766 54.9159 18.2975 179.5140 58 K 4.0739 7.5275 116.2097 60.0740 32.8488 179.0132 59 E 4.2705 7.7867 117.9805 57.4260 31.0837 177.0513 60 L 4.9733 7.8893 118.6336 52.2678 42.1854 175.4283 61 P 4.4378 0.0000 0.0000 65.3510 31.9790 178.8494 62 Q 4.0780 8.1953 117.3505 58.1008 28.8903 176.2799 63 V 4.2854 7.6791 117.5423 61.5621 33.1693 175.5025 64 S 4.6481 8.5294 123.6462 57.2847 64.5835 172.9614 65 F 5.2210 8.7792 123.2650 55.8410 41.4001 175.0175 66 V 4.8606 8.8805 116.2180 59.4756 36.5600 174.4044 67 K 4.9689 9.0295 120.7568 55.1708 36.2464 174.9960 68 L 4.8322 8.5523 122.9763 53.4256 45.8542 174.8442 69 E 4.3257 9.0684 127.1861 55.5146 29.3938 176.5264 70 A 4.4447 8.6279 130.4317 54.8349 18.5480 179.3021 71 E 3.9010 8.0826 113.1502 58.5025 29.9004 178.2390 72 G 3.7551 7.8063 107.0904 46.7986 0.0000 174.1731 73 V 4.4874 7.1478 118.8559 60.3542 31.3467 174.3761 74 P 4.5114 0.0000 0.0000 65.5639 31.6971 178.4077 75 E 4.0257 8.1507 117.5451 59.1767 29.5740 179.2263 76 V 3.6146 7.7247 118.6830 65.9868 31.7010 177.8032 77 S 4.0650 8.0020 114.6198 61.7561 62.8226 176.5245 78 E 3.8886 8.6182 122.1556 59.0371 29.1812 178.4990 79 K 3.7667 7.7366 118.5491 59.4919 32.2345 177.3763 80 Y 4.4370 7.6134 113.2055 56.6042 38.6988 175.2963 81 E 3.6099 7.7053 117.5342 57.4266 27.3062 175.9794 82 I 4.0664 7.9093 120.2871 60.3103 37.0990 176.4181 83 S 4.7018 8.4637 119.2010 58.0710 64.3425 173.8992 84 S 4.7615 7.6217 115.3617 57.3403 66.8409 173.2287 85 V 4.5962 7.8839 114.1492 58.5777 35.0941 174.0439 86 P 5.0471 0.0000 0.0000 62.7789 32.8028 175.0791 87 T 4.9350 8.2774 118.0648 61.8000 72.2207 172.5147 88 F 5.4053 9.4075 125.0622 55.7982 41.5032 174.6024 89 L 5.2618 8.9783 123.4471 52.9825 44.8757 175.3240 90 F 5.2116 8.7156 120.9114 55.7402 41.9323 174.5443 91 F 5.9219 9.2957 121.5771 54.6895 43.1639 174.2383 92 K 4.8336 8.3327 120.4815 55.2500 36.5363 175.9257 93 N 4.0596 9.5326 123.2118 55.1577 37.7440 174.4698 94 S 3.7854 8.3011 108.1522 59.0687 61.3291 171.9330 95 Q 4.7820 7.9404 120.1360 53.5878 30.3106 175.0274 96 K 3.9347 8.9676 124.2541 56.5677 32.4233 176.1099 97 I 4.4161 8.3875 119.4966 61.0517 39.3423 174.4718 98 D 4.5344 7.6671 121.0094 53.9294 44.6027 173.5119 99 R 5.3678 8.2168 120.4379 54.9911 33.4797 173.6270 100 L 4.9260 9.4998 126.9474 53.5547 45.4897 174.4723 101 D 5.1051 9.1709 126.1525 54.0281 42.2634 177.3504 102 G 3.9900 9.2518 109.2052 45.3056 0.0000 174.0454 103 A 4.4166 7.9386 122.8206 51.2118 16.8156 176.7494 104 H 4.8150 7.8756 116.9661 52.4474 30.1105 173.6451 105 A 3.9034 8.2153 127.2282 54.6983 18.5514 177.2576 106 P 4.1919 0.0000 0.0000 65.8198 31.3521 178.7635 107 E 3.9485 8.1018 116.9797 58.9610 29.3389 178.8695 108 L 3.9119 7.9488 120.4887 58.6190 42.0684 179.2757 109 T 3.8448 7.8803 115.5444 66.4119 68.3253 176.8995 110 K 3.9239 8.2197 120.5419 59.4656 32.2249 179.6011 111 K 3.8424 8.2048 118.8517 59.2415 31.8423 179.6109 112 V 3.8738 8.2248 118.8290 66.1866 31.2868 177.8603 113 Q 4.0084 8.2004 118.4287 59.1123 28.9320 177.7718 114 R 3.9820 7.8202 118.7799 59.7435 30.2025 177.7035 115 H 4.5868 7.8964 113.1883 56.3606 29.3724 175.8959 116 A 4.3255 7.5233 123.3084 51.5271 19.0316 177.5268 117 S 4.3564 8.4143 116.0292 58.1395 63.6528 174.4787 118 S 4.0354 8.3714 119.2314 60.3193 62.9300 175.2410 119 G 3.7916 8.4894 112.3299 45.4728 0.0000 174.3353 120 S 4.3342 7.4361 114.2314 59.4538 63.5541 174.2642 121 F 5.1570 6.8893 114.8074 54.5579 40.4573 174.5953 122 L 4.3394 8.3287 121.8369 53.9526 42.2140 176.5144 123 P 4.3680 0.0000 0.0000 64.8911 31.5488 176.8309 124 S 4.7395 7.5568 112.2992 56.6034 66.9450 173.0164 125 A 4.7560 8.1729 123.8573 49.9705 21.5746 176.4969 126 K 4.1700 8.6175 121.6749 56.4431 32.8506 177.0213 127 V 4.3195 8.0515 115.2810 59.3505 34.2871 175.5780 128 K 4.1392 8.3998 123.6446 55.2019 31.7588 176.3588 129 V 4.1620 8.1792 127.4572 61.2808 31.8313 175.0342 130 D 4.3951 8.3978 126.0006 54.4099 41.4311 174.9563 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 11 A 8.26 4.11 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.51 3.82 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 13 V 7.19 4.56 1.93 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 0.84 0.00 0.00 0.84 0.00 0.00 14 E 8.45 4.11 0.00 2.17 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 0.00 2.37 1.88 0.00 15 E 8.59 5.00 0.00 1.99 1.83 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 2.28 2.53 0.00 16 V 8.75 4.23 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 0.93 0.00 0.00 0.96 0.00 0.00 17 G 9.39 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 18 S 7.52 4.61 0.00 4.04 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 19 A 8.69 4.20 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 20 G 8.12 3.62 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 0.00 0.00 0.00 21 Q 8.17 4.04 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 22 F 8.39 4.02 0.00 3.20 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 23 E 8.63 3.88 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 24 E 8.18 3.87 0.00 2.17 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 2.28 2.31 0.00 25 L 7.98 3.80 0.00 1.75 1.48 0.83 0.82 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 26 L 7.22 3.60 0.00 1.52 1.46 0.62 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.62 3.96 0.00 1.81 2.03 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 28 L 8.03 4.00 0.00 1.75 1.66 0.95 0.83 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 29 K 7.94 4.39 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 30 A 7.60 3.94 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 31 K 7.92 4.47 0.00 2.01 1.84 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 0.98 7.81 32 S 7.86 4.72 0.00 4.02 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 33 L 8.24 4.43 0.00 1.83 1.55 1.09 0.47 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 34 L 8.82 4.97 0.00 1.72 1.51 0.81 0.22 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 35 V 8.70 4.44 1.69 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 0.57 0.00 0.00 0.55 0.00 0.00 36 V 8.79 4.70 2.33 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 0.49 0.00 0.00 1.14 0.00 0.00 37 H 9.12 4.89 0.00 3.35 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.35 4.77 0.00 3.01 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 39 W 9.27 5.44 0.00 3.09 2.41 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 0.00 40 A 7.74 4.20 -0.21 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 41 P 0.00 3.84 0.00 1.99 1.68 0.00 3.05 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.49 0.00 42 W 7.05 4.53 0.00 3.43 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 43 A 7.15 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.38 0.00 2.33 2.39 0.00 3.86 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 45 Q 8.24 4.03 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 46 C 8.09 4.41 0.00 3.27 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 A 7.95 4.03 1.41 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 0.00 0.00 0.00 48 Q 8.09 3.95 0.00 2.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 49 M 8.20 4.19 0.00 2.32 2.21 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.99 0.00 50 N 8.51 4.35 0.00 2.74 2.73 0.00 0.00 6.88 8.28 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 51 E 7.90 3.91 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 52 V 7.50 3.49 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 0.98 0.00 0.00 0.94 0.00 0.00 53 M 8.31 3.71 0.00 1.95 2.15 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.73 0.00 54 A 7.89 3.82 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 55 E 7.90 3.81 0.00 2.05 1.91 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 2.40 2.41 0.00 56 L 7.82 3.75 0.00 1.04 1.07 0.78 1.09 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 57 A 7.22 3.83 1.23 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 0.00 0.00 58 K 7.53 4.07 0.00 1.88 1.90 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.44 7.81 59 E 7.79 4.27 0.00 1.93 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 2.48 2.42 0.00 60 L 7.89 4.97 0.00 2.09 1.76 1.11 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.44 0.00 2.21 2.23 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 62 Q 8.20 4.08 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 63 V 7.68 4.29 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 0.04 0.00 0.00 0.98 0.00 0.00 64 S 8.53 4.65 0.00 3.69 3.68 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 0.00 0.00 0.00 0.00 65 F 8.78 5.22 0.00 2.89 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 66 V 8.88 4.86 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 0.75 0.00 0.00 0.91 0.00 0.00 67 K 9.03 4.97 0.00 1.15 1.45 0.00 0.61 0.00 0.00 0.87 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.88 7.81 68 L 8.55 4.83 0.00 1.37 0.75 0.40 0.86 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 69 E 9.07 4.33 0.00 2.09 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 0.00 2.23 1.76 0.00 70 A 8.63 4.44 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 71 E 8.08 3.90 0.00 1.99 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 2.39 2.37 0.00 72 G 7.81 3.76 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 0.00 0.00 0.00 73 V 7.15 4.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 74 P 0.00 4.51 0.00 2.31 2.31 0.00 3.76 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 2.08 2.03 0.00 75 E 8.15 4.03 0.00 2.20 2.26 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 0.00 2.39 2.33 0.00 76 V 7.72 3.61 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.91 0.00 0.00 77 S 8.00 4.07 0.00 4.11 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 78 E 8.62 3.89 0.00 2.04 1.93 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 2.28 2.30 0.00 79 K 7.74 3.77 0.00 1.76 1.87 0.00 1.72 0.00 0.00 1.49 0.00 0.00 2.51 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.54 1.19 7.81 80 Y 7.61 4.44 0.00 2.81 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 81 E 7.71 3.61 0.00 2.14 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 2.23 2.24 0.00 82 I 7.91 4.07 1.65 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.80 0.00 0.00 83 S 8.46 4.70 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.62 4.76 0.00 3.83 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 85 V 7.88 4.60 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.61 0.00 0.00 86 P 0.00 5.05 0.00 1.66 2.18 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.94 0.00 87 T 8.28 4.94 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 1.23 0.00 0.00 88 F 9.41 5.41 0.00 3.09 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 89 L 8.98 5.26 0.00 1.78 1.14 0.75 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.72 5.21 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 91 F 9.30 5.92 0.00 2.86 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 92 K 8.33 4.83 0.00 1.68 1.67 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 93 N 9.53 4.06 0.00 2.81 2.88 0.00 0.00 7.24 8.35 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 94 S 8.30 3.79 0.00 4.10 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 95 Q 7.94 4.78 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.99 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 96 K 8.97 3.93 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.12 7.81 97 I 8.39 4.42 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.97 0.00 0.00 98 D 7.67 4.53 0.00 2.33 1.74 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 99 R 8.22 5.37 0.00 1.86 1.76 0.00 3.26 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 100 L 9.50 4.93 0.00 1.98 1.89 1.03 1.57 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 0.00 101 D 9.17 5.11 0.00 2.67 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 0.00 102 G 9.25 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 0.00 0.00 0.00 103 A 7.94 4.42 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.88 4.82 0.00 3.19 3.47 0.00 5.63 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 0.00 105 A 8.22 3.90 1.28 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 0.00 0.00 106 P 0.00 4.19 0.00 2.15 2.09 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 107 E 8.10 3.95 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 108 L 7.95 3.91 0.00 1.37 1.62 0.51 0.01 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 0.00 109 T 7.88 3.84 4.32 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 1.12 0.00 0.00 110 K 8.22 3.92 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.60 7.81 111 K 8.20 3.84 0.00 1.88 1.24 0.00 1.62 0.00 0.00 1.13 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.24 1.47 7.81 112 V 8.22 3.87 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.33 0.00 0.00 113 Q 8.20 4.01 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 114 R 7.82 3.98 0.00 1.88 1.89 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 115 H 7.90 4.59 0.00 3.30 3.37 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.52 4.33 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 0.00 117 S 8.41 4.36 0.00 4.05 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 0.00 118 S 8.37 4.04 0.00 3.81 3.74 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 0.00 119 G 8.49 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 0.00 120 S 7.44 4.33 0.00 4.04 4.20 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 0.00 121 F 6.89 5.16 0.00 3.10 3.15 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 0.00 122 L 8.33 4.34 0.00 1.80 1.67 0.94 1.05 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 0.00 123 P 0.00 4.37 0.00 2.07 2.15 0.00 3.65 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 2.04 2.11 0.00 124 S 7.56 4.74 0.00 3.68 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 0.00 125 A 8.17 4.76 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 0.00 126 K 8.62 4.17 0.00 1.75 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.40 7.81 127 V 8.05 4.32 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 0.68 0.00 0.00 0.92 0.00 0.00 128 K 8.40 4.14 0.00 1.95 1.72 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 0.98 7.81 129 V 8.18 4.16 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 0.84 0.00 0.00 0.92 0.00 0.00 130 D 8.40 4.40 0.00 2.59 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