NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3036 8.1844 120.6275 54.8823 43.6749 176.5019 2 N 4.7939 8.0612 119.5619 51.3215 38.5173 173.4409 3 I 3.7493 8.4659 124.4124 63.7835 38.5648 176.8792 4 E 4.0605 8.4728 119.4150 59.9348 29.2526 179.2011 5 Q 4.0726 8.0376 118.6239 58.8576 29.2481 177.7421 6 Q 4.0097 8.1043 118.7402 59.0797 28.8225 178.8997 7 L 3.9777 7.9480 119.5853 57.9313 41.7447 178.5860 8 Y 3.9730 8.0443 119.4921 61.1157 38.6011 178.0918 9 D 4.3991 8.5837 119.7141 57.6897 40.9850 179.4571 10 V 3.6115 7.6868 112.3591 64.1761 31.4459 178.9193 11 V 3.5206 7.7099 118.1544 65.6997 31.3249 177.9256 12 K 3.6561 7.7412 119.3591 59.5178 31.9786 178.5416 13 Q 3.9296 8.0643 118.2638 58.9489 28.5859 178.8083 14 L 3.9162 7.9041 121.0138 58.1802 42.1599 178.9416 15 I 3.8158 7.8740 119.8220 64.6255 36.8521 178.1560 16 E 3.9753 8.0278 117.9643 59.4015 29.3212 179.1680 17 Q 4.0060 7.9135 118.4230 59.3036 29.3614 177.7650 18 R 3.9526 8.4365 118.3728 57.5990 30.5524 175.9107 19 Y 4.8623 8.2146 116.1189 55.6473 38.3258 174.2079 20 P 4.4720 0.0000 0.0000 64.6750 32.3879 177.2089 21 N 5.3193 7.0836 112.0429 52.1984 42.8881 175.7759 22 D 4.3161 9.2906 119.6158 54.4418 39.8032 172.9475 23 W 4.7323 8.3136 132.7243 58.2928 31.6607 176.8961 24 G 3.0910 7.5977 112.3957 44.3965 0.0000 171.6121 25 G 4.1059 6.3988 107.7181 45.0975 0.0000 171.5871 26 A 4.9562 8.5506 122.0740 51.0145 23.6123 174.8293 27 A 5.3127 9.1446 119.5854 50.4340 23.1429 175.2167 28 A 5.2753 9.1886 120.2040 50.3441 23.3451 175.3060 29 I 5.0594 9.0741 120.1675 59.5156 41.1499 174.5545 30 R 4.8660 8.8930 126.9179 54.7724 32.5775 175.3877 31 V 4.6758 8.1567 118.1641 59.1178 34.7462 176.3677 32 E 3.7975 8.7018 122.7941 59.5549 29.2915 177.4640 33 D 4.4631 7.9251 114.7802 53.7035 39.8294 176.8843 34 G 3.8880 8.1439 109.2519 45.2209 0.0000 174.1862 35 T 3.8827 8.1868 117.2106 63.5828 69.7331 173.3758 36 I 4.7259 7.7055 124.3085 59.7176 40.3714 174.3403 37 Y 5.0506 8.7616 124.7992 56.3958 40.7025 174.9400 38 T 5.3299 8.5767 112.1779 60.2930 72.1240 172.8461 39 S 4.8206 8.9661 116.5928 57.5704 66.9732 172.9389 40 V 5.0566 8.2319 112.4189 59.1493 35.4142 175.6035 41 A 4.2734 8.8051 125.2554 51.2213 18.9796 176.0940 42 P 4.5065 0.0000 0.0000 62.5626 32.1622 176.2284 43 D 4.6483 8.4770 120.3936 54.4944 41.5477 176.1690 44 V 4.6003 8.0001 114.3642 59.8050 35.5084 175.5179 45 I 4.2920 8.3049 113.4329 60.5943 39.0836 175.0013 46 N 4.8183 7.8204 119.6576 51.3794 41.2649 174.3004 47 A 3.9768 8.7868 129.4633 55.2870 18.5833 178.6831 48 S 4.4054 8.2021 108.0536 59.9065 63.3506 174.6080 49 T 4.3593 7.7260 110.9934 61.4049 69.0162 174.6582 50 E 4.1561 7.7389 123.2320 56.4719 30.2252 175.8539 51 L 4.8842 7.9918 123.5165 52.8124 46.1338 175.2710 52 C 4.6292 8.5553 115.6243 55.2589 42.5679 174.6671 53 M 3.9905 8.7040 121.1049 58.6497 31.9225 177.6951 54 E 4.2818 8.2023 116.7786 58.3243 30.4795 178.8022 55 T 4.0314 8.3638 116.9346 66.6225 68.4693 176.2318 56 G 3.7768 8.2894 106.7903 48.1097 0.0000 175.3177 57 A 4.1038 8.0053 122.7888 54.7139 18.5236 179.5210 58 I 3.7168 7.9176 118.3883 64.7142 37.1542 178.6866 59 L 4.1100 8.2782 119.8662 57.6754 41.2873 179.4268 60 E 3.6293 8.1219 118.4744 59.2214 29.3634 179.1368 61 A 3.9314 7.6543 120.6755 55.3708 18.4144 179.3559 62 H 4.2341 8.4387 114.6429 58.9704 28.6245 177.6765 63 K 3.6957 7.9025 120.1434 59.5222 32.0439 177.9502 64 F 4.6831 8.0243 114.3187 56.5921 40.0940 175.4002 65 Q 3.5521 7.7471 117.1636 57.3129 26.5897 173.1999 66 K 4.7060 8.2459 115.0748 54.4499 35.5628 176.4129 67 K 4.3198 8.2527 121.9070 54.7922 32.8976 175.7764 68 V 3.8587 6.3914 127.2813 63.1359 31.3936 175.3370 69 T 4.3546 8.8364 117.7093 62.7075 71.3960 173.8719 70 H 5.2280 7.6996 116.7882 54.1441 33.6611 172.4899 71 S 5.1676 9.2042 114.9267 56.9778 66.2129 172.5411 72 I 5.0134 8.7602 124.7755 59.8307 42.0134 173.0600 73 C 5.2767 8.6370 126.6457 57.8033 35.1526 172.4475 74 L 5.4138 8.8718 124.7269 53.1679 45.4685 175.3184 75 A 4.9641 8.7566 122.3157 50.5125 23.2979 175.3374 76 R 4.6579 8.4711 116.3209 54.1279 32.3551 176.0201 77 E 4.0203 8.9741 123.0706 59.2092 30.0503 175.8597 78 N 5.4605 7.7557 112.9440 52.4566 39.7694 174.3786 79 E 3.9954 8.6513 115.4853 58.6652 29.5160 177.0826 80 H 4.8002 8.2952 115.5475 55.5904 29.3706 174.3885 81 S 4.8881 7.7194 115.8862 56.0580 65.3762 173.8074 82 E 4.2502 8.4170 120.7053 56.2239 30.3960 176.3951 83 L 4.3296 8.4759 121.9280 54.8745 42.4930 176.4536 84 K 4.6670 9.2332 123.5482 54.5015 34.9953 175.6237 85 V 4.3376 8.2756 123.5077 62.5962 32.9303 174.4575 86 L 4.9120 8.6122 128.6016 52.7691 43.0430 176.8067 87 S 4.5013 9.0786 120.6767 57.0782 63.5170 173.1367 88 P 4.4958 0.0000 0.0000 62.9304 31.6189 176.5747 89 C 4.6290 8.5621 116.4567 57.5786 32.0419 174.7258 90 G 3.8010 8.7222 106.9656 48.0795 0.0000 175.9384 91 V 3.6721 7.7755 119.7575 66.2775 31.6705 178.8020 92 C 4.5198 8.2615 115.6535 59.7573 39.7573 175.8056 93 Q 4.0552 8.5272 120.2780 59.1717 28.1221 178.7762 94 E 4.3700 8.2211 118.2453 59.5848 29.7828 179.2752 95 R 4.2623 8.1018 117.5658 59.5643 30.1802 179.2337 96 L 4.5590 8.5147 118.6882 57.7230 41.5437 179.2309 97 F 4.1393 8.6200 117.2722 59.4510 38.5555 176.4513 98 Y 4.1924 7.8644 119.1273 60.4387 38.5030 177.3836 99 W 4.5078 8.3999 116.5862 55.8429 29.5129 176.7135 100 G 2.3238 7.9066 106.9678 43.3614 0.0000 172.5124 101 P 3.8633 0.0000 0.0000 63.8902 31.3902 177.2308 102 E 4.2522 7.3864 117.3454 55.9270 30.3037 176.0936 103 V 3.4525 6.9975 120.2426 63.6943 32.6685 174.5970 104 Q 4.8401 8.6746 126.8841 54.8237 30.5088 174.3683 105 C 5.4969 9.2117 121.5750 57.5721 31.4533 173.3451 106 A 4.4636 9.2927 126.3966 51.9908 18.9033 176.4245 107 I 4.3925 8.1336 116.7519 59.0905 39.8613 176.1690 108 T 4.0634 8.7530 121.5025 63.5083 69.0133 173.5691 109 N 4.9444 8.3954 121.3364 51.1628 40.1817 175.1310 110 A 4.0027 8.6964 123.1577 55.4570 18.4177 179.1266 111 K 4.1034 8.0326 113.3052 56.9374 32.5257 177.4874 112 Q 3.8656 8.0028 116.5689 56.6678 26.8236 173.7773 113 D 4.3587 7.3012 116.2077 54.3654 41.3435 176.4872 114 I 3.9788 7.8866 122.3590 60.1463 37.4162 175.6214 115 I 4.3865 7.7385 126.4489 59.3365 40.2816 174.6582 116 F 5.2726 8.7336 126.4136 56.5203 40.0511 175.5801 117 K 4.8773 9.1062 123.1343 53.5859 35.7944 174.4095 118 P 4.7766 0.0000 0.0000 62.3038 32.4538 177.1016 119 L 3.7482 8.4222 120.9957 57.9137 41.6837 180.1512 120 K 4.0386 7.9153 117.3499 59.5274 32.4945 178.5703 121 E 4.1114 8.0953 118.5195 58.2055 29.8426 177.8563 122 L 4.2406 7.7718 117.8231 57.1213 41.8801 177.2113 123 Q 4.6249 8.2357 117.6075 53.1788 29.3132 173.6557 124 P 4.4755 0.0000 0.0000 63.9979 31.9992 177.3624 125 Y 4.8360 6.8828 117.7695 57.4853 38.7404 175.5958 126 H 4.3510 8.1837 119.4158 55.5432 30.9541 175.7074 127 W 4.3926 8.5516 123.7230 59.9516 27.6645 178.5150 128 T 3.3393 6.7265 109.8261 64.2199 67.7719 175.8957 129 E 4.0205 7.9832 120.5841 59.0456 29.4758 178.6049 130 A 4.0106 7.9258 119.8175 53.6177 19.1714 176.8297 131 Y 4.7974 7.8400 115.7085 57.1403 39.1258 177.1947 132 H 4.1100 8.4456 121.1463 59.6894 30.2509 175.3561 133 D 4.2665 8.0692 119.9504 57.3372 40.7719 178.1825 134 E 3.8373 8.1503 119.2076 59.7120 29.6137 178.7291 135 M 3.4028 7.9411 118.5717 57.8848 31.8677 178.8205 136 V 3.8313 7.8200 118.7611 65.8597 31.4411 177.9305 137 K 3.8701 7.9220 118.4062 59.4203 32.3625 178.0234 138 E 3.9460 7.9451 119.3518 59.2569 29.5792 178.9036 139 W 4.4466 8.2756 119.4358 59.6034 28.8581 178.2591 140 S 4.4037 8.0738 112.7770 60.6958 62.5848 175.9681 141 T 4.1366 7.7378 118.7903 65.6589 68.3415 174.5913 142 R 4.1883 7.8435 124.5010 56.4595 30.0774 176.2675 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 L 8.18 4.30 0.00 1.62 1.66 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.06 4.79 0.00 2.79 2.66 0.00 0.00 7.08 6.73 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 3 I 8.47 3.75 1.77 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.34 0.62 0.00 0.00 4 E 8.47 4.06 0.00 2.07 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 2.34 2.40 0.00 5 Q 8.04 4.07 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.66 0.00 6 Q 8.10 4.01 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 7 L 7.95 3.98 0.00 1.85 1.80 1.08 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.04 3.97 0.00 3.17 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 9 D 8.58 4.40 0.00 2.87 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 10 V 7.69 3.61 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 0.85 0.00 0.00 1.01 0.00 0.00 11 V 7.71 3.52 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 0.96 0.00 0.00 0.96 0.00 0.00 12 K 7.74 3.66 0.00 1.30 1.68 0.00 1.61 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.35 7.81 13 Q 8.06 3.93 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 14 L 7.90 3.92 0.00 1.85 1.80 0.90 0.88 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 15 I 7.87 3.82 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.42 0.78 0.00 0.00 16 E 8.03 3.98 0.00 2.09 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 2.31 2.39 0.00 17 Q 7.91 4.01 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 18 R 8.44 3.95 0.00 1.62 1.68 0.00 2.98 0.00 0.00 3.03 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 19 Y 8.21 4.86 0.00 2.93 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 20 P 0.00 4.47 0.00 2.17 2.17 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 21 N 7.08 5.32 0.00 2.70 2.74 0.00 0.00 7.02 7.94 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 22 D 9.29 4.32 0.00 2.95 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 23 W 8.31 4.73 0.00 3.26 3.06 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 24 G 7.60 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 0.00 0.00 0.00 25 G 6.40 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.55 4.96 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 27 A 9.14 5.31 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 28 A 9.19 5.28 1.21 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 29 I 9.07 5.06 1.97 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 1.09 0.79 0.92 0.00 0.00 30 R 8.89 4.87 0.00 1.77 1.65 0.00 2.86 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.46 0.00 31 V 8.16 4.68 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 0.70 0.00 0.00 0.94 0.00 0.00 32 E 8.70 3.80 0.00 1.90 1.98 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 2.31 2.23 0.00 33 D 7.93 4.46 0.00 2.79 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 34 G 8.14 3.89 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 0.00 0.00 0.00 35 T 8.19 3.88 3.89 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 0.45 0.00 0.00 36 I 7.71 4.73 1.73 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 1.24 0.62 0.85 0.00 0.00 37 Y 8.76 5.05 0.00 2.92 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 38 T 8.58 5.33 4.27 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 1.22 0.00 0.00 39 S 8.97 4.82 0.00 3.95 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 40 V 8.23 5.06 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 0.88 0.00 0.00 1.04 0.00 0.00 41 A 8.81 4.27 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 42 P 0.00 4.51 0.00 2.22 2.10 0.00 3.98 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 2.01 2.02 0.00 43 D 8.48 4.65 0.00 2.73 2.68 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 44 V 8.00 4.60 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 0.83 0.00 0.00 0.92 0.00 0.00 45 I 8.30 4.29 1.87 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 0.64 0.92 0.00 0.00 46 N 7.82 4.82 0.00 2.76 2.66 0.00 0.00 7.08 7.74 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 47 A 8.79 3.98 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 48 S 8.20 4.41 0.00 3.99 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 49 T 7.73 4.36 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 1.21 0.00 0.00 50 E 7.74 4.16 0.00 1.99 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 2.29 2.31 0.00 51 L 7.99 4.88 0.00 1.64 1.52 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 C 8.56 4.63 0.00 3.17 3.26 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 53 M 8.70 3.99 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.84 0.00 54 E 8.20 4.28 0.00 2.16 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 0.00 2.47 2.46 0.00 55 T 8.36 4.03 4.30 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 1.26 0.00 0.00 56 G 8.29 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 57 A 8.01 4.10 1.45 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 0.00 0.00 58 I 7.92 3.72 2.16 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 1.68 0.82 1.28 0.00 0.00 59 L 8.28 4.11 0.00 1.86 1.69 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.12 3.63 0.00 1.74 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 2.24 2.44 0.00 61 A 7.65 3.93 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 62 H 8.44 4.23 0.00 3.37 3.28 0.00 5.64 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 63 K 7.90 3.70 0.00 1.44 1.43 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 1.17 7.81 64 F 8.02 4.68 0.00 3.19 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 65 Q 7.75 3.55 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 66 K 8.25 4.71 0.00 1.89 1.78 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.78 7.81 67 K 8.25 4.32 0.00 1.89 1.77 0.00 1.81 0.00 0.00 2.05 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.53 7.81 68 V 6.39 3.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 -0.54 0.00 0.00 69 T 8.84 4.35 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 70 H 7.70 5.23 0.00 2.88 2.83 0.00 5.76 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 71 S 9.20 5.17 0.00 3.84 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 72 I 8.76 5.01 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.45 1.02 0.00 0.00 73 C 8.64 5.28 0.00 3.18 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 74 L 8.87 5.41 0.00 1.48 1.39 0.50 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.76 4.96 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.47 4.66 0.00 1.82 1.84 0.00 2.83 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 77 E 8.97 4.02 0.00 2.06 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 2.44 2.39 0.00 78 N 7.76 5.46 0.00 2.96 2.93 0.00 0.00 6.49 7.66 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 79 E 8.65 4.00 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.10 0.00 80 H 8.30 4.80 0.00 3.28 3.35 0.00 5.61 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.72 4.89 0.00 3.96 3.75 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 82 E 8.42 4.25 0.00 1.99 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 2.28 2.35 0.00 83 L 8.48 4.33 0.00 1.62 1.63 0.75 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.23 4.67 0.00 1.65 1.70 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.36 7.81 85 V 8.28 4.34 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 0.98 0.00 0.00 1.00 0.00 0.00 86 L 8.61 4.91 0.00 1.58 1.63 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 87 S 9.08 4.50 0.00 3.88 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 88 P 0.00 4.50 0.00 2.24 2.23 0.00 3.81 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 2.04 2.01 0.00 89 C 8.56 4.63 0.00 3.23 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 90 G 8.72 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.78 3.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.99 0.00 0.00 92 C 8.26 4.52 0.00 3.09 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.53 4.06 0.00 2.45 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 94 E 8.22 4.37 0.00 2.33 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 2.80 2.71 0.00 95 R 8.10 4.26 0.00 2.23 2.18 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.99 0.00 96 L 8.51 4.56 0.00 1.91 1.79 0.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.62 4.14 0.00 3.60 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 7.86 4.19 0.00 2.80 2.57 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 99 W 8.40 4.51 0.00 3.57 3.05 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 0.00 0.00 0.00 100 G 7.91 2.32 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 0.00 101 P 0.00 3.86 0.00 2.08 2.24 0.00 2.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 102 E 7.39 4.25 0.00 1.81 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 103 V 7.00 3.45 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 0.89 0.00 0.00 0.92 0.00 0.00 104 Q 8.67 4.84 0.00 1.47 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.53 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 105 C 9.21 5.50 0.00 2.83 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 0.00 106 A 9.29 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.13 4.39 1.87 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 1.36 0.67 0.97 0.00 0.00 108 T 8.75 4.06 4.26 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 1.23 0.00 0.00 109 N 8.40 4.94 0.00 2.80 2.84 0.00 0.00 6.14 7.37 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 0.00 110 A 8.70 4.00 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 0.00 111 K 8.03 4.10 0.00 1.80 1.82 0.00 1.80 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.44 7.81 112 Q 8.00 3.87 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 113 D 7.30 4.36 0.00 2.49 2.52 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 0.00 114 I 7.89 3.98 1.67 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.73 0.41 0.00 0.00 115 I 7.74 4.39 1.79 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 1.28 0.81 0.89 0.00 0.00 116 F 8.73 5.27 0.00 2.97 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 0.00 117 K 9.11 4.88 0.00 1.63 1.66 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.49 7.81 118 P 0.00 4.78 0.00 2.24 2.08 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 119 L 8.42 3.75 0.00 1.26 0.75 0.18 0.56 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 0.00 120 K 7.92 4.04 0.00 1.95 2.06 0.00 1.27 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.38 7.81 121 E 8.10 4.11 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 122 L 7.77 4.24 0.00 1.77 1.78 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 123 Q 8.24 4.62 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 124 P 0.00 4.48 0.00 1.36 1.93 0.00 3.36 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 125 Y 6.88 4.84 0.00 3.20 3.01 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 0.00 126 H 8.18 4.35 0.00 3.41 3.05 0.00 5.88 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 W 8.55 4.39 0.00 3.63 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 0.00 128 T 6.73 3.34 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 129 E 7.98 4.02 0.00 2.16 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 2.39 2.51 0.00 130 A 7.93 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 7.84 4.80 0.00 2.96 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 0.00 132 H 8.45 4.11 0.00 3.41 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.07 4.27 0.00 2.82 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 0.00 134 E 8.15 3.84 0.00 2.03 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 2.27 2.36 0.00 135 M 7.94 3.40 0.00 0.51 1.58 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.56 0.00 136 V 7.82 3.83 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.88 0.00 0.00 137 K 7.92 3.87 0.00 1.79 1.93 0.00 1.84 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 138 E 7.95 3.95 0.00 1.90 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 1.84 2.05 0.00 139 W 8.28 4.45 0.00 3.51 3.02 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 0.00 140 S 8.07 4.40 0.00 4.08 4.16 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 0.00 141 T 7.74 4.14 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 1.23 0.00 0.00 142 R 7.84 4.19 0.00 1.93 2.05 0.00 3.07 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.75 0.00