NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4480 8.3044 118.1953 55.1705 32.5538 174.3239 1 V 4.2284 7.8888 118.4736 60.7632 34.2903 173.4778 2 L 4.3228 8.3811 127.5591 54.1069 43.5855 176.8180 3 S 4.6017 8.9011 117.4936 57.5371 65.5827 175.1131 4 E 4.2723 8.8332 122.8540 59.4555 29.4254 179.2006 5 G 3.6319 8.0963 105.3878 47.8105 0.0000 175.4087 6 E 3.8939 8.0277 120.6887 58.8513 29.4865 179.3148 7 W 4.3894 8.0661 118.9794 60.0989 29.1050 178.5017 8 Q 4.1726 8.5488 118.0017 59.1137 28.1295 179.0180 9 L 4.0581 7.9083 119.4868 57.6359 41.5646 179.8335 10 V 3.7167 7.8228 118.1755 66.2465 31.6198 178.2657 11 L 4.2102 8.7604 119.0099 57.8505 41.1601 179.1019 12 H 4.2232 8.3863 117.9887 59.2844 30.1598 177.2451 13 V 3.6939 7.8770 119.7803 65.5929 31.3029 177.5206 14 W 3.9913 8.6151 128.1303 60.6482 30.2099 177.6865 15 A 3.9583 7.9384 119.5522 55.1043 18.0990 179.4782 16 K 3.9508 7.8125 117.1163 59.2721 32.0538 179.6334 17 V 2.8744 7.0665 118.0429 65.8163 31.0804 177.7202 18 E 3.7583 7.7146 116.6839 58.7129 29.2597 178.8139 19 A 4.1585 7.3440 119.7257 53.9768 19.9334 177.5649 20 D 4.6542 7.9656 116.7367 51.8992 42.4488 175.4072 21 V 3.4450 7.9315 123.7205 65.8956 32.0614 176.6885 22 A 4.0523 8.0247 119.9685 55.2021 18.2496 179.7130 23 G 3.7592 8.3627 105.5324 47.7593 0.0000 175.7697 24 H 4.2236 8.3383 118.8825 58.2727 28.8177 177.9279 25 G 3.7075 8.6713 108.0097 47.9437 0.0000 175.3699 26 Q 3.8695 8.0861 122.1119 59.0164 29.1089 178.1318 27 D 4.3921 7.9928 119.8366 57.3322 40.7907 178.9855 28 I 3.6752 7.8059 120.3075 64.2052 37.0457 178.5043 29 L 3.4159 7.5409 119.3847 57.7220 41.3508 179.6236 30 I 3.6466 7.5470 119.6600 64.2206 36.9549 178.3742 31 R 3.7756 7.7829 119.5173 59.3172 29.8715 177.9827 32 L 3.9026 7.7384 119.8911 58.5280 41.9220 178.9606 33 F 4.6084 8.1120 117.6464 60.5759 38.5895 178.0652 34 K 4.0072 8.1264 117.4063 59.7046 32.0487 179.4223 35 S 4.2598 7.9630 114.0688 60.5054 64.1653 174.6083 36 H 4.7543 8.4629 118.6025 52.0333 29.2736 171.9268 37 P 4.5986 0.0000 0.0000 64.4710 31.6014 177.5894 38 E 4.1261 8.2167 116.4139 59.3872 29.6300 179.0786 39 T 3.7693 8.0234 111.1420 64.5448 68.7283 176.2443 40 L 3.7936 7.8797 122.6688 57.7329 41.7547 178.7216 41 E 4.0971 7.8787 117.5736 59.0610 29.4473 178.8452 42 K 4.3426 7.9963 116.7317 57.2061 33.3416 178.0825 43 F 4.5427 7.8805 119.7676 54.7601 37.8290 175.1130 44 D 4.4708 8.3718 122.3431 57.4006 41.3161 178.7402 45 R 3.9002 7.8962 117.7219 58.7726 30.2060 176.9671 46 F 5.0137 8.0010 115.0084 57.9024 40.3672 178.4837 47 K 4.2108 8.0942 120.1615 59.6551 32.0699 177.2481 48 H 4.2470 8.3613 112.9245 58.0769 28.5644 175.4780 49 L 3.9881 7.7036 120.6628 55.2388 41.6164 176.8794 50 K 4.1992 9.6531 124.5372 58.0784 32.9544 177.6171 51 T 4.6991 7.4357 107.3397 59.1545 72.9561 174.3354 52 E 3.9328 8.6102 120.9437 59.1682 29.6026 178.6375 53 A 3.9594 7.9240 120.6196 55.1350 18.2838 179.2762 54 E 3.8988 7.6328 116.1266 59.7717 29.7017 179.0713 55 M 4.1190 8.0884 118.6862 58.4694 31.8041 179.0244 56 K 4.1471 8.2968 118.8226 58.6473 32.3153 178.6414 57 A 4.3882 7.6214 118.7520 52.1824 19.0068 177.2284 58 S 4.2512 7.4770 113.8520 57.3129 62.4764 174.3788 59 E 3.9905 8.8087 129.6029 59.3535 29.3127 178.1889 60 D 4.4930 8.0893 118.7235 57.2401 40.9603 178.3284 61 L 3.0956 7.8276 120.9514 57.4243 42.0023 178.8269 62 K 3.8176 7.7988 119.2852 59.5426 32.0522 178.7524 63 K 3.9407 8.3991 119.1085 59.7089 31.9613 179.5048 64 V 3.8906 7.8788 118.3923 65.8137 31.3963 178.3409 65 G 3.5964 8.1813 105.7310 47.6901 0.0000 175.8239 66 V 3.6196 7.8003 120.5891 65.9670 31.6914 178.4344 67 R 4.0236 7.9318 117.6686 59.0086 29.8613 179.2905 68 V 3.6721 7.9814 118.1875 66.1512 31.6610 178.1993 69 L 4.2359 8.2509 118.9287 58.0341 41.4637 179.5946 70 T 3.9491 8.4598 115.9569 66.6908 68.3779 176.5269 71 A 4.0165 7.9464 122.1749 55.0566 18.4334 179.4490 72 L 3.7170 8.0787 119.0671 58.0617 42.1152 179.3790 73 G 3.3650 8.7527 105.8410 47.7291 0.0000 175.5340 74 A 4.0264 7.8397 122.1604 54.7663 18.7551 179.6231 75 I 3.7833 7.4487 118.0757 64.5527 37.2143 178.5990 76 L 3.9636 7.6456 119.7692 57.7267 41.1709 179.7436 77 K 3.9731 7.6620 117.1158 58.7488 32.3033 179.0408 78 K 3.9498 7.7510 118.1608 56.5230 31.8964 177.1581 79 K 2.0000 8.1745 117.5731 56.7025 29.8591 176.1581 80 G 3.9784 8.1723 107.0955 45.7693 0.0000 174.9327 81 H 4.7271 7.3444 118.7860 54.8810 27.4074 174.4649 82 H 5.4264 7.1778 111.7887 54.4303 29.4291 176.5918 83 E 3.8734 8.3383 119.9349 60.5134 28.9454 178.8878 84 A 4.0261 7.9838 119.3273 55.6755 18.6505 179.1664 85 E 4.0965 8.1447 116.2489 59.1835 29.6304 179.1152 86 L 4.0523 7.9009 120.6460 57.8907 42.0271 178.4849 87 K 3.8463 7.9378 118.4837 59.5364 32.0835 177.3620 88 P 4.2654 0.0000 0.0000 65.5474 31.3350 178.2784 89 L 4.0062 7.4952 117.5522 58.0334 42.0367 178.7261 90 A 4.1941 8.6179 121.2009 55.1401 18.3461 179.3401 91 Q 3.8845 8.4631 118.6854 59.4296 29.1782 178.7984 92 S 4.0647 8.1086 115.2725 61.7280 63.0864 176.1580 93 H 4.2433 8.5061 119.6534 58.1274 28.2194 177.6515 94 A 2.5800 7.7541 121.9401 54.4464 18.4914 178.7784 95 T 3.9072 7.3895 109.3722 62.9170 67.9700 175.4892 96 K 4.0958 7.4793 120.0725 58.4718 32.9716 176.9704 97 H 4.3283 8.2425 114.0015 55.8608 29.5283 175.3811 98 K 3.3104 7.4880 117.3825 57.0805 28.6501 174.6240 99 I 4.3916 8.0487 118.7642 58.4747 38.9773 174.9017 100 P 4.5711 0.0000 0.0000 62.3455 32.0906 177.4020 101 I 3.6250 8.2316 121.2488 64.4188 36.9210 178.5292 102 K 3.6123 7.9543 120.0133 59.9609 31.8876 178.2355 103 Y 4.1362 7.9040 116.5015 60.7855 37.8102 178.2035 104 L 4.2439 7.8410 119.6108 57.3655 41.8216 179.1496 105 E 3.9694 7.9878 118.9718 59.4658 29.4617 179.1902 106 F 4.5023 7.6861 117.7188 60.7865 38.8510 177.6165 107 I 3.8879 8.0947 118.2071 63.9392 37.7432 178.1337 108 S 4.1965 8.0950 116.3362 61.5535 62.6698 176.2201 109 E 4.0457 8.2938 121.7466 59.1725 29.3578 178.7561 110 A 4.0656 8.0520 120.9579 54.9596 18.3574 179.6547 111 I 3.6851 8.1442 118.6847 64.7953 37.2057 178.7501 112 I 3.8424 7.8734 120.5773 64.5624 36.9961 178.0609 113 H 4.1145 8.2995 119.2133 59.2502 29.6886 177.6125 114 V 3.5864 8.0227 120.1379 65.9241 31.2974 178.0238 115 L 3.7832 7.9255 118.9303 57.7732 41.0313 178.8941 116 H 4.2775 7.9184 117.4090 59.3975 29.8915 177.2707 117 S 4.2021 7.6154 115.2631 61.8274 62.8303 176.6331 118 R 4.0515 7.8273 118.8394 57.7650 30.9189 176.4680 119 H 5.0252 8.3221 116.1701 53.6226 29.7737 173.0785 120 P 4.2468 0.0000 0.0000 66.0936 31.2593 179.0288 121 G 3.6177 8.1381 106.1549 47.3717 0.0000 173.6578 122 N 4.9839 8.2104 115.1160 52.9812 39.5446 174.8388 123 F 4.9582 7.7939 119.4462 56.2951 39.5111 173.9558 124 G 3.9296 7.6612 109.5387 43.6837 0.0000 172.0362 125 A 3.9022 8.4196 120.6841 55.3653 18.2397 179.5626 126 D 4.1831 7.9733 116.4327 57.5517 40.9173 178.8054 127 A 3.9366 7.7653 120.7000 55.0664 18.3938 179.3080 128 Q 2.8793 7.7608 118.3571 58.7791 29.0229 178.6885 129 G 3.4716 8.0270 106.7530 47.4844 0.0000 175.5725 130 A 3.8426 7.9163 123.1527 55.0841 18.3664 179.3458 131 M 3.9894 8.1756 116.9130 58.8599 32.2894 177.8974 132 N 4.3170 8.2898 117.1624 56.6553 39.0192 176.9546 133 K 3.8756 8.1141 119.6460 59.3360 32.1265 179.1784 134 A 3.8462 7.8524 121.0029 55.2043 18.3224 179.7535 135 L 4.1391 8.2083 117.4798 57.6411 41.5679 179.6455 136 E 3.9918 8.3575 119.1106 59.2413 29.4478 178.9695 137 L 3.9548 8.2686 120.7674 57.9772 42.0722 178.6458 138 F 4.2080 8.3628 120.5565 61.5751 39.3324 177.2428 139 R 3.5043 8.1004 117.4885 59.1102 29.8489 179.0691 140 K 3.8741 8.2340 119.5205 59.5273 32.1674 178.7121 141 D 4.3566 8.1549 119.2726 57.2708 40.6663 178.8131 142 I 3.4971 7.6729 120.4255 63.9387 37.0634 178.2738 143 A 3.6019 7.8301 121.5762 54.9954 18.3089 179.5511 144 A 3.9734 7.7508 118.8240 55.1735 18.3756 180.1036 145 K 4.1666 7.9027 116.7091 59.7180 32.1633 178.9777 146 Y 4.4046 8.2722 117.2855 61.2061 37.8638 178.8517 147 K 3.9659 8.0784 119.8050 59.7490 32.1352 178.7376 148 E 4.0661 7.9513 117.0484 58.9726 29.4387 178.3903 149 L 4.4460 7.8969 116.4850 54.5705 41.9730 177.5495 150 G 3.9471 8.1132 107.5788 45.6541 0.0000 173.2417 151 Y 4.2306 8.2981 120.0093 60.1014 39.8876 177.7357 152 Q 3.0888 7.5436 116.5635 56.9915 26.4968 174.7564 153 G 3.3550 7.6113 115.7256 45.7358 0.0000 171.0905 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 0 M 8.30 4.45 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 1 V 7.89 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.38 4.32 0.00 1.03 0.66 0.64 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.90 4.60 0.00 4.01 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 4 E 8.83 4.27 0.00 2.20 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 2.43 2.52 0.00 5 G 8.10 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.03 3.89 0.00 1.89 1.71 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 2.21 2.25 0.00 7 W 8.07 4.39 0.00 3.59 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 8 Q 8.55 4.17 0.00 2.36 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 9 L 7.91 4.06 0.00 1.88 1.74 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.82 3.72 2.43 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 1.27 0.00 0.00 0.92 0.00 0.00 11 L 8.76 4.21 0.00 1.82 1.82 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.39 4.22 0.00 3.26 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.69 2.31 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 1.06 0.00 0.00 1.31 0.00 0.00 14 W 8.62 3.99 0.00 3.66 3.27 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 15 A 7.94 3.96 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 16 K 7.81 3.95 0.00 1.48 1.70 0.00 1.62 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.46 7.81 17 V 7.07 2.87 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 0.00 0.00 -0.02 0.00 0.00 0.41 0.00 0.00 18 E 7.71 3.76 0.00 1.98 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 2.14 2.17 0.00 19 A 7.34 4.16 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 20 D 7.97 4.65 0.00 2.68 2.51 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 21 V 7.93 3.45 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 0.98 0.00 0.00 0.84 0.00 0.00 22 A 8.02 4.05 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 23 G 8.36 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 24 H 8.34 4.22 0.00 3.12 3.26 0.00 5.83 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 8.67 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 26 Q 8.09 3.87 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 27 D 7.99 4.39 0.00 2.90 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 7.81 3.68 1.84 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 1.53 0.82 0.90 0.00 0.00 29 L 7.54 3.42 0.00 1.42 0.98 0.75 0.34 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 30 I 7.55 3.65 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 0.89 0.00 0.00 31 R 7.78 3.78 0.00 1.94 2.09 0.00 3.03 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 32 L 7.74 3.90 0.00 1.74 1.38 1.05 0.91 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 33 F 8.11 4.61 0.00 3.00 2.90 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 0.00 34 K 8.13 4.01 0.00 1.89 1.83 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.65 7.81 35 S 7.96 4.26 0.00 3.73 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.46 4.75 0.00 2.88 2.77 0.00 5.63 0.00 0.00 0.00 0.00 6.87 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 4.60 0.00 2.15 2.11 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.22 4.13 0.00 2.30 2.29 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 2.29 2.53 0.00 39 T 8.02 3.77 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 40 L 7.88 3.79 0.00 1.39 1.80 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.10 0.00 2.30 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 2.38 2.40 0.00 42 K 8.00 4.34 0.00 2.02 1.72 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.78 1.95 7.81 43 F 7.88 4.54 0.00 3.20 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 44 D 8.37 4.47 0.00 2.58 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.90 3.90 0.00 1.38 0.74 0.00 3.18 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 46 F 8.00 5.01 0.00 2.84 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 47 K 8.09 4.21 0.00 1.94 1.90 0.00 1.77 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.66 7.81 48 H 8.36 4.25 0.00 3.30 3.45 0.00 5.54 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.70 3.99 0.00 1.49 1.59 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.65 4.20 0.00 1.79 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.54 7.81 51 T 7.44 4.70 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 1.20 0.00 0.00 52 E 8.61 3.93 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 2.36 0.00 53 A 7.92 3.96 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 54 E 7.63 3.90 0.00 1.99 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 2.33 0.00 55 M 8.09 4.12 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 56 K 8.30 4.15 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.43 1.28 7.81 57 A 7.62 4.39 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 58 S 7.48 4.25 0.00 3.78 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 59 E 8.81 3.99 0.00 2.12 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 2.39 2.47 0.00 60 D 8.09 4.49 0.00 2.94 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 61 L 7.83 3.10 0.00 1.05 1.50 0.20 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.80 3.82 0.00 1.85 1.95 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 63 K 8.40 3.94 0.00 2.02 1.92 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.73 7.81 64 V 7.88 3.89 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 1.33 0.00 0.00 1.58 0.00 0.00 65 G 8.18 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 3.62 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 1.12 0.00 0.00 0.93 0.00 0.00 67 R 7.93 4.02 0.00 2.12 2.06 0.00 3.29 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 68 V 7.98 3.67 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.16 0.00 0.00 69 L 8.25 4.24 0.00 1.80 1.87 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.46 3.95 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 1.26 0.00 0.00 71 A 7.95 4.02 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 0.00 0.00 72 L 8.08 3.72 0.00 1.61 1.76 0.28 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.75 3.37 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 0.00 74 A 7.84 4.03 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 75 I 7.45 3.78 1.83 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 1.54 1.09 0.87 0.00 0.00 76 L 7.65 3.96 0.00 1.38 1.57 -0.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.66 3.97 0.00 1.66 1.80 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.53 7.81 78 K 7.75 3.95 0.00 1.89 1.80 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.86 7.81 79 K 8.17 2.00 0.00 1.34 0.74 0.00 1.47 0.00 0.00 1.43 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.67 7.81 80 G 8.17 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.34 4.73 0.00 3.20 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.18 5.43 0.00 3.31 3.46 0.00 5.68 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 83 E 8.34 3.87 0.00 2.10 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 0.00 2.43 2.51 0.00 84 A 7.98 4.03 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 8.14 4.10 0.00 2.29 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 0.00 2.40 2.44 0.00 86 L 7.90 4.05 0.00 2.07 1.67 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.94 3.85 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.61 7.81 88 P 0.00 4.27 0.00 2.29 2.33 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 89 L 7.50 4.01 0.00 2.04 1.89 1.10 1.07 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 90 A 8.62 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.46 3.88 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 92 S 8.11 4.06 0.00 4.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.51 4.24 0.00 3.61 3.63 0.00 5.80 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 7.75 2.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.39 3.91 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 1.12 0.00 0.00 96 K 7.48 4.10 0.00 1.56 1.73 0.00 1.59 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.08 1.17 7.81 97 H 8.24 4.33 0.00 2.95 3.12 0.00 5.86 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 98 K 7.49 3.31 0.00 1.77 1.79 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.30 7.81 99 I 8.05 4.39 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.97 1.14 0.00 0.00 100 P 0.00 4.57 0.00 1.90 1.98 0.00 3.11 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 0.73 1.56 0.00 101 I 8.23 3.63 1.79 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 0.79 0.00 0.00 102 K 7.95 3.61 0.00 1.73 1.64 0.00 1.14 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 0.91 7.81 103 Y 7.90 4.14 0.00 3.28 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.84 4.24 0.00 1.80 1.79 0.73 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.99 3.97 0.00 1.97 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 2.29 2.48 0.00 106 F 7.69 4.50 0.00 3.19 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 0.00 107 I 8.09 3.89 2.01 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 1.59 1.66 1.09 0.00 0.00 108 S 8.10 4.20 0.00 4.20 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 0.00 109 E 8.29 4.05 0.00 2.19 2.36 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 2.38 2.41 0.00 110 A 8.05 4.07 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 0.00 111 I 8.14 3.69 2.09 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 1.62 0.72 1.03 0.00 0.00 112 I 7.87 3.84 2.01 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.76 1.13 0.00 0.00 113 H 8.30 4.11 0.00 3.39 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.02 3.59 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 1.01 0.00 0.00 115 L 7.93 3.78 0.00 0.37 0.60 0.75 0.76 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 0.00 116 H 7.92 4.28 0.00 3.47 3.58 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 7.62 4.20 0.00 3.99 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 0.00 118 R 7.83 4.05 0.00 1.51 1.63 0.00 3.13 0.00 0.00 3.02 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 119 H 8.32 5.03 0.00 3.18 3.20 0.00 5.65 0.00 0.00 0.00 0.00 6.74 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 4.25 0.00 2.20 2.29 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 121 G 8.14 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 0.00 122 N 8.21 4.98 0.00 2.79 2.94 0.00 0.00 6.67 7.07 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 0.00 123 F 7.79 4.96 0.00 2.88 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 0.00 124 G 7.66 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 0.00 125 A 8.42 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 0.00 126 D 7.97 4.18 0.00 2.65 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 0.00 127 A 7.77 3.94 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 0.00 128 Q 7.76 2.88 0.00 1.22 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 129 G 8.03 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.92 3.84 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 0.00 131 M 8.18 3.99 0.00 2.36 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.94 0.00 132 N 8.29 4.32 0.00 2.89 2.92 0.00 0.00 7.26 6.67 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 0.00 133 K 8.11 3.88 0.00 1.86 1.66 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 134 A 7.85 3.85 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 0.00 135 L 8.21 4.14 0.00 1.76 1.82 1.00 0.74 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 8.36 3.99 0.00 2.27 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 2.33 2.39 0.00 137 L 8.27 3.95 0.00 1.78 1.96 1.08 1.23 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 0.00 138 F 8.36 4.21 0.00 3.08 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 0.00 139 R 8.10 3.50 0.00 2.01 1.86 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.97 0.00 140 K 8.23 3.87 0.00 1.77 1.89 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 141 D 8.15 4.36 0.00 2.71 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 0.00 142 I 7.67 3.50 1.26 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 1.06 -0.26 0.20 0.00 0.00 143 A 7.83 3.60 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 7.75 3.97 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 0.00 145 K 7.90 4.17 0.00 2.01 1.95 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.27 4.40 0.00 3.22 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 0.00 147 K 8.08 3.97 0.00 1.89 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.95 4.07 0.00 2.22 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 2.36 2.50 0.00 149 L 7.90 4.45 0.00 1.76 1.69 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 0.00 150 G 8.11 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 0.00 0.00 0.00 151 Y 8.30 4.23 0.00 2.49 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 0.00 152 Q 7.54 3.09 0.00 2.23 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 153 G 7.61 3.35 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 0.00