NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0968 8.0549 120.3914 62.3859 32.4892 175.2569 2 L 3.9569 8.2728 127.4609 52.5371 42.2579 176.0369 3 S 4.5182 9.7833 118.8583 57.8263 66.1711 175.0196 4 E 4.2744 8.8584 121.7392 59.6587 29.1913 179.9207 5 G 3.6225 8.0955 105.2641 47.8409 0.0000 175.4901 6 E 3.9513 8.2968 121.0250 58.9035 29.3790 179.4061 7 W 4.4110 8.2654 119.1364 59.9160 29.0826 178.2559 8 Q 4.0844 8.6291 119.7719 59.2119 28.3171 178.4438 9 L 4.0671 7.9021 119.5750 57.7644 41.6047 179.6321 10 V 3.7758 7.9826 118.1817 66.1059 31.5845 177.8571 11 L 4.3594 8.4569 118.0496 56.9889 41.4010 178.7962 12 H 4.2240 8.3616 118.5383 59.2145 30.2108 177.3161 13 V 3.7271 7.8387 121.2011 64.4938 31.3150 178.1261 14 W 3.8629 8.7148 129.0048 60.1016 30.2867 177.8079 15 A 4.0172 7.9878 119.9965 54.8231 17.9811 179.4489 16 K 3.8995 7.6198 116.8369 59.2855 31.8902 179.7181 17 V 2.9575 6.8949 118.2842 65.4901 31.1584 177.3395 18 E 3.8726 7.3715 116.0124 57.8224 29.3286 178.0569 19 A 4.2733 7.2945 119.7452 52.8378 19.9110 177.4527 20 D 4.6534 7.9165 116.6094 52.1976 42.8580 175.7135 21 V 3.4398 7.7813 123.8370 65.9871 32.1022 176.7498 22 A 4.0553 8.0113 120.1543 55.0264 18.2337 179.7104 23 G 3.6210 8.4297 105.6524 45.4961 0.0000 175.6479 24 H 4.1236 8.1832 118.9446 58.5045 28.7097 178.1466 25 G 3.5692 8.3067 107.6591 47.7470 0.0000 175.6587 26 Q 3.8921 8.2515 120.6341 59.0075 28.7717 178.8941 27 D 4.3170 7.9504 119.7292 57.2679 40.7403 179.0149 28 I 3.6862 7.9766 120.7051 64.3068 37.0588 178.4987 29 L 3.4217 7.7903 119.8400 57.4582 41.2160 179.6147 30 I 3.5952 7.7059 120.0444 64.3911 36.9878 178.4808 31 R 3.8082 7.9822 119.5319 59.0735 29.8247 178.3018 32 L 3.9479 7.9203 120.3367 58.3314 41.6271 179.1091 33 F 4.5634 8.1706 118.0149 60.4906 38.5573 177.9943 34 K 4.0644 8.2926 117.9124 59.5856 31.9662 179.3800 35 S 4.3018 8.2470 114.7664 60.3781 64.1520 174.5752 36 H 4.6963 8.1521 118.4084 52.1718 29.6848 171.8954 37 P 4.7097 0.0000 0.0000 64.3891 31.5029 177.4456 38 E 4.0960 8.2516 116.4547 59.4952 29.3924 179.1784 39 T 4.0824 8.2740 111.4576 64.5359 68.9269 176.4099 40 L 3.5710 7.9263 122.9048 57.7553 41.7709 178.5043 41 E 4.0666 7.7384 116.9426 58.7056 29.6151 178.4365 42 K 4.4331 8.1061 116.9458 57.1912 32.5249 177.2876 43 F 4.6158 8.1416 119.0069 55.6823 39.5031 175.7601 44 D 4.3609 8.5327 125.1541 57.1565 40.4590 178.5963 45 R 3.6475 7.8896 118.1118 58.4024 30.1760 176.6214 46 F 5.0430 8.0906 114.4664 56.5677 40.7818 176.3598 47 K 4.1382 7.6967 119.6157 58.5061 32.4971 177.7397 48 H 4.3400 8.1310 114.7673 57.2805 28.8414 175.1441 49 L 4.3425 7.7880 121.8726 54.2024 41.5571 176.6183 50 K 4.5109 9.5914 123.0332 56.2309 33.6150 176.6356 51 T 4.7412 7.4180 108.9611 58.9023 73.2700 174.1458 52 E 3.8752 8.6824 121.8235 59.3468 29.7236 178.8321 53 A 4.0419 7.9763 120.4616 55.2468 18.2296 179.3273 54 E 3.9461 8.2354 116.3647 59.5761 29.8959 179.0268 55 M 4.1521 8.2169 118.9485 58.5769 31.8998 179.1014 56 K 4.0248 8.3373 116.8495 58.6806 32.2643 178.3788 57 A 4.4681 7.5792 118.9326 51.4567 19.2760 176.9180 58 S 4.3719 7.4863 113.8785 57.1838 62.7658 174.4925 59 E 4.0268 8.8240 129.2322 59.2025 29.4927 177.9568 60 D 4.4152 8.1598 117.9604 57.1854 41.2970 177.8107 61 L 3.6104 8.1511 121.0873 57.7173 42.0727 178.8728 62 K 3.8862 8.0166 119.5632 59.3173 32.1462 178.9205 63 K 3.9972 8.4202 119.1680 59.8907 31.9566 178.8137 64 H 4.4563 8.6856 118.5259 58.8352 29.7503 177.4334 65 G 3.6128 8.3620 108.1794 47.7600 0.0000 175.7926 66 V 3.6094 7.7504 120.4240 66.0114 31.6279 178.0779 67 T 3.8853 8.0018 115.4816 66.7354 68.2268 176.7045 68 V 3.6115 7.9299 119.9573 66.1762 31.5616 178.1863 69 L 4.2254 8.2088 118.6856 57.8764 41.4275 179.6108 70 T 3.9676 8.4196 116.2008 66.5206 68.4571 176.5641 71 A 3.9993 8.0316 122.5963 55.0686 18.3685 179.4030 72 L 3.7957 8.2584 119.2878 58.1304 42.0988 179.4748 73 G 3.1796 8.4582 105.7600 47.6282 0.0000 175.5982 74 A 4.0324 7.8121 122.1759 54.7774 18.5928 179.5281 75 I 3.8660 7.4609 118.1215 64.4027 37.2123 178.5439 76 L 3.9968 7.8809 120.1642 57.5765 41.2096 179.2720 77 K 4.0670 7.7799 116.2794 57.8684 32.2675 178.4860 78 K 4.0075 7.8547 118.6287 55.6044 32.6412 176.4644 79 K 2.0000 8.3576 118.0554 56.4607 29.7650 174.9483 80 G 4.0276 8.0891 106.1619 45.9647 0.0000 174.3209 81 H 4.5594 7.4522 118.6710 55.1628 27.4967 174.8957 82 H 5.2241 7.2224 110.6211 54.4396 29.8059 176.5249 83 E 3.9245 8.4576 122.7439 60.1944 29.1235 178.4656 84 A 4.0427 7.9459 118.9490 55.1041 18.0713 178.8534 85 E 4.1583 8.0999 116.5620 59.1213 29.8475 178.9305 86 L 4.2522 8.2401 119.0686 56.8169 41.6351 179.0174 87 K 3.8164 7.9523 120.2599 59.2509 32.0801 177.0247 88 P 4.2666 0.0000 0.0000 65.4267 31.3013 178.1426 89 L 3.9691 7.5078 120.5931 58.0129 42.0157 178.7023 90 A 4.1213 8.4790 121.1210 55.3256 18.2996 179.6240 91 Q 3.8135 8.2755 116.8595 59.1183 28.7213 179.2489 92 S 4.0055 8.2722 115.3687 61.6243 63.0863 176.2160 93 H 4.1252 8.6260 119.7043 58.0576 28.2256 177.7381 94 A 2.9807 7.9933 123.4280 54.7131 17.9501 179.3662 95 T 3.6792 7.1241 107.2191 61.5462 69.5409 175.4660 96 K 4.1838 7.4440 120.3898 58.2105 33.3166 176.7668 97 H 4.3726 7.9638 113.6874 55.7577 29.4942 175.1815 98 K 3.7760 6.9950 114.5818 57.4342 29.1783 176.2474 99 I 4.2565 7.7739 119.0007 58.7448 38.9568 175.1049 100 P 4.4716 0.0000 0.0000 62.0871 32.1433 177.3629 101 I 3.4299 8.4714 122.0146 64.7210 36.9025 178.6028 102 K 3.7651 7.8447 119.5535 59.3796 32.0112 177.9499 103 Y 4.0672 7.9226 116.3618 59.9542 37.8129 177.6967 104 L 4.1902 7.9237 120.6020 57.2990 41.7201 178.8149 105 E 3.9484 7.8839 119.1302 59.2931 29.6421 178.6911 106 F 4.4928 7.8052 117.8336 60.7661 38.8905 177.5376 107 I 3.9219 8.2436 118.0621 63.8461 37.7595 178.1216 108 S 4.1710 8.1781 116.5400 61.5124 62.6202 176.3375 109 E 4.0629 8.5103 121.1867 59.4277 29.2149 179.3022 110 A 4.0728 8.1104 120.8788 54.9861 18.3930 179.7377 111 I 3.6891 8.1292 118.7254 64.7629 37.2306 178.7585 112 I 3.8643 7.9929 120.6054 64.4507 36.8876 178.0462 113 H 4.0868 8.4573 119.1605 59.3746 29.7654 177.5105 114 V 3.5720 7.9488 120.0415 66.0605 31.3276 177.9922 115 L 3.7896 7.9662 118.7536 57.6842 41.0249 179.0215 116 H 4.4346 7.8373 117.6879 59.3853 29.9459 177.2113 117 S 4.1969 7.9457 115.9123 61.5291 62.7770 176.3864 118 R 4.1133 7.7973 118.6555 57.3353 31.2532 176.4695 119 H 5.0086 8.0567 116.4052 54.0317 30.0467 173.1630 120 P 4.3257 0.0000 0.0000 65.6493 31.8383 179.1554 121 G 3.7124 8.1228 106.5797 47.4433 0.0000 173.6666 122 D 5.0333 8.1395 118.0922 54.0473 41.4506 176.2309 123 F 5.0177 7.9611 121.0319 56.5443 39.8434 175.0943 124 G 3.8726 7.9158 107.7322 44.1185 0.0000 172.7653 125 A 4.1165 8.4249 120.7198 54.6512 18.3048 179.6567 126 D 4.1725 7.9550 117.3555 56.8584 39.4553 178.7238 127 A 3.9790 7.7691 122.3538 54.3854 18.3490 179.4113 128 Q 3.2518 8.0603 117.1976 58.7404 28.6815 179.2433 129 G 3.5030 8.3493 106.9929 47.6488 0.0000 175.6974 130 A 3.8862 7.9768 123.2025 55.0876 18.3230 179.4660 131 M 3.9947 8.4680 117.1701 58.3700 32.2144 177.7791 132 N 4.2717 8.5136 117.9414 56.8627 39.0353 176.9478 133 K 3.8927 8.0153 119.3672 59.3658 32.0965 179.2870 134 A 3.8224 8.1334 121.3441 55.0945 18.2879 179.7325 135 L 4.0583 8.2448 117.6903 57.7142 41.6729 179.4417 136 E 4.0084 8.5807 119.2293 59.3376 29.3481 179.1339 137 L 4.0564 8.2678 120.5970 57.9000 42.1019 178.7215 138 F 4.1092 8.3898 120.6975 61.4773 39.3348 177.3709 139 R 3.6362 8.2792 117.6320 58.8933 29.8266 178.8460 140 K 3.8117 8.4414 119.8231 59.8505 32.0890 178.5778 141 D 4.4014 8.2215 118.8755 57.0362 40.6680 178.9036 142 I 3.5382 7.6473 120.5061 64.1232 36.9267 178.2122 143 A 3.7022 8.2016 121.8307 54.9712 18.0972 179.5797 144 A 3.9458 7.9626 119.4505 55.1755 18.4142 180.0436 145 K 4.0394 7.9261 117.3231 59.5224 32.0885 179.0314 146 Y 4.1203 8.5435 117.6265 61.1904 37.7904 178.8504 147 K 4.0351 8.4485 120.5250 59.2477 32.0603 178.1420 148 E 3.9316 7.9813 118.8350 59.5399 29.6775 178.4742 149 L 4.4186 7.6955 115.1183 55.1536 41.8868 177.6854 150 G 3.8120 8.1868 107.4500 45.8822 0.0000 173.5531 151 Y 4.5914 8.5447 114.9439 57.3702 38.7324 177.5993 152 Q 4.1559 8.2596 123.3191 57.1825 29.5907 176.0724 153 G 4.0327 8.1770 110.6083 45.5681 0.0000 172.9011 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.27 3.96 0.00 0.67 0.65 0.54 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.78 4.52 0.00 4.02 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 4 E 8.86 4.27 0.00 2.06 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 0.00 2.50 2.39 0.00 5 G 8.10 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 6 E 8.30 3.95 0.00 2.03 1.73 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 2.22 2.27 0.00 7 W 8.27 4.41 0.00 3.50 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 8 Q 8.63 4.08 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 9 L 7.90 4.07 0.00 1.97 1.75 0.95 0.94 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 10 V 7.98 3.78 2.49 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 1.28 0.00 0.00 0.88 0.00 0.00 11 L 8.46 4.36 0.00 1.87 1.82 0.94 1.06 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 12 H 8.36 4.22 0.00 3.32 3.59 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.73 2.47 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 1.02 0.00 0.00 0.83 0.00 0.00 14 W 8.71 3.86 0.00 3.68 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 15 A 7.99 4.02 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 16 K 7.62 3.90 0.00 1.38 1.51 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.70 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.41 7.81 17 V 6.89 2.96 0.79 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 0.04 0.00 0.00 0.14 0.00 0.00 18 E 7.37 3.87 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.99 0.00 19 A 7.29 4.27 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 20 D 7.92 4.65 0.00 2.64 2.53 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 0.00 21 V 7.78 3.44 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 1.06 0.00 0.00 0.85 0.00 0.00 22 A 8.01 4.06 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 23 G 8.43 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 24 H 8.18 4.12 0.00 3.29 3.24 0.00 5.82 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 25 G 8.31 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 26 Q 8.25 3.89 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 27 D 7.95 4.32 0.00 2.75 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 28 I 7.98 3.69 1.88 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 1.51 0.63 0.89 0.00 0.00 29 L 7.79 3.42 0.00 1.27 0.72 0.75 0.45 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 30 I 7.71 3.60 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.87 0.00 0.00 31 R 7.98 3.81 0.00 1.90 2.03 0.00 3.05 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 32 L 7.92 3.95 0.00 1.79 1.52 1.08 1.05 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 33 F 8.17 4.56 0.00 3.01 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 34 K 8.29 4.06 0.00 1.75 1.84 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.59 7.81 35 S 8.25 4.30 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.15 4.70 0.00 3.02 2.76 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.71 0.00 2.14 2.09 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 38 E 8.25 4.10 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.36 0.00 39 T 8.27 4.08 4.57 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 1.02 0.00 0.00 40 L 7.93 3.57 0.00 1.32 1.71 -0.02 1.05 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 41 E 7.74 4.07 0.00 2.08 2.22 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 2.38 2.45 0.00 42 K 8.11 4.43 0.00 2.00 1.74 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.77 1.95 7.81 43 F 8.14 4.62 0.00 3.18 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.53 4.36 0.00 2.65 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 45 R 7.89 3.65 0.00 1.44 0.68 0.00 3.00 0.00 0.00 2.81 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.43 0.00 46 F 8.09 5.04 0.00 2.87 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 47 K 7.70 4.14 0.00 1.94 2.24 0.00 1.63 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.40 7.81 48 H 8.13 4.34 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.79 4.34 0.00 1.62 1.58 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.59 4.51 0.00 1.75 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 T 7.42 4.74 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 52 E 8.68 3.88 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 A 7.98 4.04 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 54 E 8.24 3.95 0.00 2.11 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 2.35 0.00 55 M 8.22 4.15 0.00 2.03 2.27 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 2.82 2.58 0.00 56 K 8.34 4.02 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.57 7.81 57 A 7.58 4.47 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 58 S 7.49 4.37 0.00 3.94 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 59 E 8.82 4.03 0.00 2.14 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 2.40 2.45 0.00 60 D 8.16 4.42 0.00 2.92 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 61 L 8.15 3.61 0.00 1.40 1.62 -0.27 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.02 3.89 0.00 1.88 1.95 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.42 4.00 0.00 2.15 1.93 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.67 7.81 64 H 8.69 4.46 0.00 3.64 3.51 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 65 G 8.36 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 66 V 7.75 3.61 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 1.14 0.00 0.00 0.98 0.00 0.00 67 T 8.00 3.89 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 68 V 7.93 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.99 0.00 0.00 69 L 8.21 4.23 0.00 1.82 1.95 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.42 3.97 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 1.26 0.00 0.00 71 A 8.03 4.00 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 72 L 8.26 3.80 0.00 1.58 1.69 0.24 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.46 3.18 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 0.00 74 A 7.81 4.03 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 75 I 7.46 3.87 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.60 0.99 0.00 0.00 76 L 7.88 4.00 0.00 1.31 1.55 -0.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.78 4.07 0.00 1.67 1.80 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.48 1.55 7.81 78 K 7.85 4.01 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.77 7.81 79 K 8.36 2.00 0.00 1.27 0.74 0.00 1.45 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.80 7.81 80 G 8.09 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 81 H 7.45 4.56 0.00 3.15 3.24 0.00 5.81 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 82 H 7.22 5.22 0.00 3.30 3.44 0.00 5.65 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.46 3.92 0.00 2.12 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 2.39 2.46 0.00 84 A 7.95 4.04 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 85 E 8.10 4.16 0.00 2.24 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 2.39 2.46 0.00 86 L 8.24 4.25 0.00 1.71 1.65 0.90 0.45 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 87 K 7.95 3.82 0.00 1.99 1.82 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 88 P 0.00 4.27 0.00 2.32 2.30 0.00 3.89 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 89 L 7.51 3.97 0.00 2.01 1.87 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.48 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.28 3.81 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 92 S 8.27 4.01 0.00 3.88 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 93 H 8.63 4.13 0.00 3.48 3.56 0.00 5.81 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 94 A 7.99 2.98 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.12 3.68 4.13 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 0.81 0.00 0.00 96 K 7.44 4.18 0.00 1.54 1.64 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.34 7.81 97 H 7.96 4.37 0.00 2.99 3.13 0.00 5.84 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.99 3.78 0.00 1.95 1.88 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 99 I 7.77 4.26 2.02 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 1.30 0.92 1.07 0.00 0.00 100 P 0.00 4.47 0.00 1.78 1.79 0.00 2.35 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.78 0.00 101 I 8.47 3.43 1.73 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.72 0.00 0.00 102 K 7.84 3.77 0.00 1.75 1.69 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 0.61 7.81 103 Y 7.92 4.07 0.00 3.07 3.08 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 0.00 104 L 7.92 4.19 0.00 1.84 1.81 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.88 3.95 0.00 1.95 1.90 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 2.44 2.42 0.00 106 F 7.81 4.49 0.00 3.24 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 0.00 107 I 8.24 3.92 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 1.09 0.00 0.00 108 S 8.18 4.17 0.00 4.18 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 0.00 109 E 8.51 4.06 0.00 2.30 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 0.00 2.66 2.61 0.00 110 A 8.11 4.07 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 0.00 111 I 8.13 3.69 2.07 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.81 1.05 0.00 0.00 112 I 7.99 3.86 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.81 1.17 0.00 0.00 113 H 8.46 4.09 0.00 3.36 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.95 3.57 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 0.89 0.00 0.00 0.95 0.00 0.00 115 L 7.97 3.79 0.00 1.03 0.49 0.79 0.63 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 0.00 116 H 7.84 4.43 0.00 3.53 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.95 4.20 0.00 3.97 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.80 4.11 0.00 1.52 1.53 0.00 2.73 0.00 0.00 2.70 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 119 H 8.06 5.01 0.00 3.19 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.33 0.00 2.18 2.30 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 121 G 8.12 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.14 5.03 0.00 2.76 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 0.00 123 F 7.96 5.02 0.00 3.02 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 0.00 124 G 7.92 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 0.00 125 A 8.42 4.12 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 0.00 126 D 7.95 4.17 0.00 2.87 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 0.00 127 A 7.77 3.98 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 0.00 128 Q 8.06 3.25 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.00 129 G 8.35 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 3.89 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 0.00 131 M 8.47 3.99 0.00 2.42 2.42 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.87 0.00 132 N 8.51 4.27 0.00 2.84 2.94 0.00 0.00 7.14 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.02 3.89 0.00 1.83 1.67 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 8.13 3.82 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 0.00 135 L 8.24 4.06 0.00 1.72 1.75 0.96 0.82 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 0.00 136 E 8.58 4.01 0.00 2.20 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 2.52 0.00 137 L 8.27 4.06 0.00 1.85 1.96 0.99 1.26 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 0.00 138 F 8.39 4.11 0.00 2.99 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 0.00 139 R 8.28 3.64 0.00 2.04 1.88 0.00 3.15 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.96 0.00 140 K 8.44 3.81 0.00 1.80 1.98 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.22 4.40 0.00 2.76 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 0.00 142 I 7.65 3.54 1.34 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.13 0.38 0.00 0.00 143 A 8.20 3.70 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 0.00 144 A 7.96 3.95 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 0.00 145 K 7.93 4.04 0.00 1.98 1.91 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 146 Y 8.54 4.12 0.00 3.02 3.03 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 0.00 147 K 8.45 4.04 0.00 2.10 1.99 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.98 3.93 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 149 L 7.70 4.42 0.00 1.95 1.94 0.81 1.07 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 0.00 150 G 8.19 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 0.00 151 Y 8.54 4.59 0.00 2.68 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 0.00 152 Q 8.26 4.16 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 153 G 8.18 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