NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3898 8.3044 120.3229 54.8688 32.7204 172.8314 2 H 3.9985 8.2237 125.9012 55.2939 29.7528 171.9904 3 L 4.7176 8.1260 121.8216 53.0806 44.8828 177.2201 4 T 4.1424 8.8171 120.3861 62.2976 70.5529 174.1286 5 P 4.3092 0.0000 0.0000 66.0267 31.5088 178.9501 6 E 3.9863 8.1182 115.3158 59.1414 29.4709 178.8002 7 E 3.9706 7.8816 119.3867 58.9904 29.7876 178.8654 8 K 3.8635 8.8353 119.7900 59.4577 32.0950 179.3618 9 S 4.0685 8.2459 113.2542 61.2858 61.8422 176.0692 10 A 4.0262 7.9460 123.4913 54.9350 18.0489 179.8279 11 V 3.3069 7.6339 116.7210 66.4260 31.7544 178.2877 12 T 3.9319 7.9566 115.1669 66.6395 68.1036 176.3862 13 A 4.0280 7.8236 121.2239 55.2519 18.7613 179.1679 14 L 3.9186 7.7268 117.7084 57.9852 42.1232 178.9677 15 W 4.3177 8.6645 128.6290 60.2486 30.4446 178.0799 16 G 3.7791 8.1561 104.6063 46.7559 0.0000 174.6328 17 K 4.4662 7.5899 118.4100 55.1975 32.9245 176.4542 18 V 3.6675 6.9971 120.7070 62.1131 32.1395 175.7836 19 N 4.4828 8.3789 125.4653 52.5970 38.9105 175.4614 20 V 3.4986 8.1008 128.6050 65.8910 31.6024 177.1492 21 D 4.3561 8.1247 118.1340 57.5871 40.7213 178.6992 22 E 3.9303 8.4755 118.7694 59.3845 29.5119 179.6161 23 V 3.5449 7.8264 118.4463 65.6520 31.5144 178.1816 24 G 3.6982 8.3581 105.8854 47.8559 0.0000 175.6608 25 G 3.6874 7.7247 109.0909 47.4555 0.0000 175.2972 26 E 3.9249 8.3296 121.6912 58.6984 29.6516 178.7516 27 A 3.9343 8.4009 121.3696 55.0980 18.5777 179.4413 28 L 4.0307 8.1911 119.1691 57.9221 42.1208 179.3021 29 G 3.5921 8.1496 105.7428 48.0599 0.0000 175.7564 30 R 3.9442 8.2243 121.6240 58.6123 30.0631 178.8503 31 L 4.1339 8.1072 120.0158 58.4421 41.6500 179.2206 32 L 4.2266 7.8703 119.5253 56.7609 41.2347 179.6503 33 V 3.6941 7.2783 117.2234 65.7768 31.7897 178.0511 34 V 3.6249 8.0472 116.9174 64.4343 32.6506 175.4993 35 Y 4.7874 7.7960 116.1569 54.3768 38.1982 173.9490 36 P 4.6035 0.0000 0.0000 64.4423 31.7751 177.8134 37 G 3.7933 8.3467 104.6962 48.0306 0.0000 175.4318 38 T 4.2736 8.4481 111.5867 64.3534 68.6750 176.4338 39 Q 4.3485 8.2178 121.4282 58.3924 28.4065 178.3486 40 R 3.7086 7.4401 116.3317 58.8962 29.1632 177.9424 41 F 4.3404 7.2861 115.6732 57.4820 39.5180 175.9532 42 F 4.6829 7.9105 118.6452 56.7275 39.7444 177.2875 43 E 4.0171 8.4729 123.1859 59.6438 29.3516 179.0530 44 S 4.4408 8.0157 110.0525 59.2405 63.4923 174.7742 45 F 4.5087 8.3350 120.1619 58.3229 39.6725 175.0056 46 G 4.0034 7.2978 105.2032 44.1070 0.0000 173.0513 47 D 4.5962 8.7000 122.8668 54.2321 41.7401 176.6303 48 L 4.9395 8.3069 126.0248 54.5202 43.4824 177.8657 49 S 4.2788 8.4727 116.6537 60.6820 63.2498 174.6388 50 T 4.7452 7.4431 109.5294 58.1640 73.0482 172.8864 51 P 4.2143 0.0000 0.0000 66.0228 31.4634 178.7784 52 D 4.4691 8.1153 116.8770 57.0883 40.4814 178.6678 53 A 3.9611 7.6733 120.2991 55.0694 18.8050 179.5721 54 V 3.6981 7.9237 116.7967 66.6388 31.4806 178.2524 55 M 4.0753 8.4899 117.2134 57.9382 31.9097 177.8011 56 G 3.7326 7.7158 105.4592 46.3358 0.0000 173.9098 57 N 4.2972 7.8992 119.8487 53.2652 39.6745 173.5580 58 P 4.2593 0.0000 0.0000 65.8969 31.4351 178.6259 59 K 3.6962 8.0990 118.2937 58.6922 31.6981 179.6124 60 V 3.7086 7.7526 118.3493 65.9098 31.4805 177.9837 61 K 3.8887 8.0495 118.0192 59.5238 31.9305 179.2365 62 A 3.9897 8.1153 121.0544 55.4148 18.2683 179.2247 63 H 4.4703 8.6017 117.1041 59.1352 29.8632 177.6823 64 G 3.6092 8.3708 108.0397 47.6309 0.0000 175.5487 65 K 3.9808 7.8789 122.0759 58.9626 32.2130 178.7776 66 K 3.9675 7.9368 119.4222 59.5233 32.1874 178.7691 67 V 3.6160 7.8731 118.4522 66.1974 31.4386 177.8518 68 L 4.3498 8.5258 120.1936 57.6683 41.8514 179.2058 69 G 3.6898 8.3458 106.0292 47.9007 0.0000 175.7126 70 A 4.2042 8.2631 123.6783 54.4976 18.1181 179.5933 71 F 4.1143 8.1894 118.7782 61.5660 39.8285 176.9407 72 S 4.2938 8.7597 115.2614 62.2314 62.6708 176.7299 73 D 4.5366 8.3617 121.1418 57.3307 40.4015 179.2230 74 G 3.4240 7.8751 105.8875 47.5219 0.0000 175.5984 75 L 3.7778 7.4259 119.6489 56.3984 41.5885 178.1623 76 A 4.4949 7.3410 118.9792 52.0679 19.2718 176.6428 77 H 4.8280 8.1141 115.6173 55.4102 30.0341 175.7098 78 L 3.8097 8.0785 120.8623 57.2737 41.5066 178.0210 79 D 4.5322 7.8638 116.6918 55.5054 42.0395 176.1097 80 N 4.9973 8.6018 118.3973 51.3757 39.4680 174.7084 81 L 3.9717 7.8061 123.0521 57.7024 41.8465 179.3281 82 K 4.0682 8.0762 118.1084 59.4958 31.8374 179.4320 83 G 3.6007 8.0668 103.9337 48.1842 0.0000 175.3364 84 T 3.7704 7.6845 117.1591 65.4243 68.5798 175.7792 85 F 4.8289 7.9433 116.9067 56.9751 39.2806 177.2388 86 A 4.0842 7.6173 122.4002 55.7184 18.1812 180.4260 87 T 3.8421 7.8820 107.5471 65.0883 68.8417 176.5017 88 L 4.1118 7.9703 121.4354 57.2602 41.6787 179.2880 89 S 4.3685 8.4161 115.0018 60.9558 62.4407 175.8627 90 E 3.8583 8.3124 121.3527 59.5284 29.2566 179.2721 91 L 3.9763 8.0747 120.1085 58.5180 42.1712 178.7401 92 H 4.1411 8.5818 116.2966 58.6794 28.5457 177.2228 93 C 3.5408 7.7053 120.6271 62.2680 31.1988 175.3982 94 D 4.2989 8.3463 119.8777 56.3556 40.5448 177.5412 95 K 4.2476 7.6705 116.6614 57.8417 33.3680 177.5227 96 L 4.1042 7.7568 116.5852 55.0216 42.2963 176.3048 97 H 4.0421 7.0896 114.1550 56.6126 26.5479 175.2529 98 V 3.8661 7.7382 118.2180 60.9636 32.4917 174.7227 99 D 4.2781 8.7452 127.0913 53.9450 41.3926 175.1645 100 P 2.9952 0.0000 0.0000 64.3598 31.8803 177.9713 101 E 3.7665 7.9693 118.8408 59.3477 29.3387 178.4631 102 N 4.2829 8.0090 116.3050 55.9908 38.4357 177.3274 103 F 4.5155 7.6754 119.7996 60.5708 38.9299 177.8750 104 R 3.9918 7.9139 117.3837 59.0441 29.9715 178.8015 105 L 3.7836 7.6484 118.3875 57.6792 41.5679 179.3385 106 L 4.0980 8.1391 120.3567 57.9038 41.9951 178.9658 107 G 3.7579 8.0907 105.7651 48.2498 0.0000 175.3797 108 N 4.4414 8.1521 119.4642 55.6353 38.4978 177.7549 109 V 3.6271 7.9964 119.7231 66.0076 31.6225 177.6412 110 L 3.8613 8.5051 120.3622 58.3577 41.7837 179.2266 111 V 3.5448 7.7723 118.0374 66.1795 31.5121 177.8640 112 C 4.1631 8.1944 116.5681 62.5935 27.8765 176.3401 113 V 3.5349 7.8132 120.0767 65.9119 31.1451 178.0592 114 L 3.8831 7.8553 118.6372 57.7476 41.3453 179.4625 115 A 3.7173 7.2643 120.6127 55.1226 18.0332 179.2081 116 H 4.0622 7.8788 116.1971 59.5056 29.9646 176.9825 117 H 4.1802 8.0515 117.3194 58.2979 29.0377 177.0138 118 F 4.6079 8.4666 117.7692 55.5006 39.4870 178.2008 119 G 3.8985 8.7889 108.1546 45.9581 0.0000 175.4642 120 K 3.8385 9.3283 121.5227 59.4099 31.7949 177.3379 121 E 4.0891 8.2530 118.0221 58.4274 30.2741 176.9482 122 F 4.5033 8.1057 123.6255 57.1969 38.0208 174.8861 123 T 4.1729 7.2077 115.1106 60.5529 71.4178 173.5003 124 P 4.1587 0.0000 0.0000 65.4788 31.1908 177.2011 125 P 4.2355 0.0000 0.0000 65.4665 31.2195 178.8942 126 V 3.5363 7.2589 116.3558 65.8032 31.3468 177.7451 127 Q 3.6970 7.8240 119.4290 59.0787 28.9240 178.1936 128 A 3.9876 8.0099 121.3874 55.2720 18.4588 179.4973 129 A 3.9243 7.7729 119.2198 55.5733 18.3495 179.5322 130 Y 3.9731 8.0942 115.2567 61.2146 38.0265 178.7452 131 Q 4.1259 8.6095 119.6310 58.7578 28.6958 178.8323 132 K 4.0274 8.0060 119.3143 59.2541 32.0003 179.6052 133 V 3.4854 7.7240 118.4873 66.0892 31.5229 178.3394 134 V 3.7979 8.3079 118.0972 65.9165 31.2601 177.8873 135 A 4.1409 8.1562 120.5682 54.7986 18.2361 179.6646 136 G 3.6069 8.2903 104.5320 48.0787 0.0000 176.0530 137 V 3.4381 8.1473 121.1672 65.4182 31.4530 177.8512 138 A 3.8660 8.0299 120.4838 55.3263 18.0070 179.3756 139 N 4.2912 8.3179 113.9414 56.4504 38.7807 177.2705 140 A 4.1712 8.0331 122.2134 55.0715 17.9753 179.6508 141 L 3.8373 8.0080 117.0702 56.8920 41.6716 178.5231 142 A 4.4777 7.6763 119.2465 52.9507 19.0170 178.3849 143 H 4.2427 7.8443 116.9010 58.5964 29.9649 175.7847 144 K 4.4158 8.0366 117.3620 56.1531 32.2690 176.3674 145 Y 3.9684 7.9480 117.8702 58.4910 38.3617 175.9530 146 H 4.4508 8.1792 117.8552 56.1445 28.3033 173.2523 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 M 8.30 4.39 0.00 1.97 2.31 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 2 H 8.22 4.00 0.00 3.16 3.28 0.00 5.71 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 3 L 8.13 4.72 0.00 1.66 1.48 0.81 0.93 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 4 T 8.82 4.14 4.34 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 1.21 0.00 0.00 5 P 0.00 4.31 0.00 2.12 2.09 0.00 3.55 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 2.09 2.13 0.00 6 E 8.12 3.99 0.00 2.13 2.19 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 2.33 2.32 0.00 7 E 7.88 3.97 0.00 2.24 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 2.35 2.35 0.00 8 K 8.84 3.86 0.00 1.77 1.79 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.81 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.50 7.81 9 S 8.25 4.07 0.00 3.90 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.95 4.03 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 11 V 7.63 3.31 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 0.56 0.00 0.00 0.49 0.00 0.00 12 T 7.96 3.93 4.31 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 1.25 0.00 0.00 13 A 7.82 4.03 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 14 L 7.73 3.92 0.00 1.85 1.92 0.26 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.66 4.32 0.00 3.83 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.16 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 17 K 7.59 4.47 0.00 2.04 2.06 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.62 7.81 18 V 7.00 3.67 1.11 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 0.11 0.00 0.00 0.65 0.00 0.00 19 N 8.38 4.48 0.00 2.72 2.61 0.00 0.00 6.85 7.71 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 20 V 8.10 3.50 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 1.19 0.00 0.00 0.90 0.00 0.00 21 D 8.12 4.36 0.00 2.97 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.48 3.93 0.00 1.95 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 2.29 2.44 0.00 23 V 7.83 3.54 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 0.91 0.00 0.00 0.65 0.00 0.00 24 G 8.36 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.72 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.33 3.92 0.00 2.19 1.89 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 2.24 2.27 0.00 27 A 8.40 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.19 4.03 0.00 1.74 1.63 0.89 0.85 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 29 G 8.15 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 0.00 0.00 0.00 30 R 8.22 3.94 0.00 1.94 2.00 0.00 3.10 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 31 L 8.11 4.13 0.00 1.95 1.94 1.08 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.87 4.23 0.00 1.94 1.76 0.80 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.28 3.69 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 0.76 0.00 0.00 0.95 0.00 0.00 34 V 8.05 3.62 1.79 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 -0.13 0.00 0.00 0.84 0.00 0.00 35 Y 7.80 4.79 0.00 3.20 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 36 P 0.00 4.60 0.00 2.18 2.13 0.00 3.93 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.02 0.00 37 G 8.35 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 38 T 8.45 4.27 4.52 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 1.39 0.00 0.00 39 Q 8.22 4.35 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 40 R 7.44 3.71 0.00 1.57 1.86 0.00 2.86 0.00 0.00 2.57 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 41 F 7.29 4.34 0.00 1.95 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 0.00 0.00 0.00 0.00 42 F 7.91 4.68 0.00 2.86 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 0.00 0.00 0.00 43 E 8.47 4.02 0.00 2.00 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 2.35 2.20 0.00 44 S 8.02 4.44 0.00 4.11 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 0.00 45 F 8.34 4.51 0.00 3.20 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 46 G 7.30 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.70 4.60 0.00 2.66 2.61 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 48 L 8.31 4.94 0.00 1.65 1.62 1.06 1.03 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 49 S 8.47 4.28 0.00 4.02 4.01 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 50 T 7.44 4.75 4.24 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 1.21 0.00 0.00 51 P 0.00 4.21 0.00 2.16 2.12 0.00 3.59 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 2.10 2.16 0.00 52 D 8.12 4.47 0.00 2.68 2.71 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 53 A 7.67 3.96 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 54 V 7.92 3.70 2.21 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 1.09 0.00 0.00 0.98 0.00 0.00 55 M 8.49 4.08 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.85 0.00 56 G 7.72 3.73 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 0.00 0.00 0.00 57 N 7.90 4.30 0.00 3.00 2.85 0.00 0.00 6.78 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 58 P 0.00 4.26 0.00 2.24 2.25 0.00 3.71 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 2.01 2.02 0.00 59 K 8.10 3.70 0.00 1.50 0.74 0.00 1.25 0.00 0.00 1.23 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.14 1.20 7.81 60 V 7.75 3.71 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 1.13 0.00 0.00 1.07 0.00 0.00 61 K 8.05 3.89 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.44 7.81 62 A 8.12 3.99 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 63 H 8.60 4.47 0.00 3.52 3.49 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 64 G 8.37 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 65 K 7.88 3.98 0.00 1.80 2.05 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.48 7.81 66 K 7.94 3.97 0.00 1.97 2.04 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.54 7.81 67 V 7.87 3.62 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.90 0.00 0.00 68 L 8.53 4.35 0.00 2.00 1.80 0.88 1.06 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 69 G 8.35 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.26 4.20 1.57 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 71 F 8.19 4.11 0.00 3.20 3.38 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 72 S 8.76 4.29 0.00 4.45 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.36 4.54 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.88 3.42 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 0.00 75 L 7.43 3.78 0.00 1.50 1.44 -0.35 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.34 4.49 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 77 H 8.11 4.83 0.00 3.11 3.11 0.00 5.82 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 78 L 8.08 3.81 0.00 1.54 1.64 0.81 0.92 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 79 D 7.86 4.53 0.00 2.62 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 80 N 8.60 5.00 0.00 2.66 2.59 0.00 0.00 7.06 6.60 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 81 L 7.81 3.97 0.00 1.74 1.81 0.91 0.88 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 82 K 8.08 4.07 0.00 1.78 1.79 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.08 1.45 7.81 83 G 8.07 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 84 T 7.68 3.77 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 0.46 0.00 0.00 85 F 7.94 4.83 0.00 3.15 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 86 A 7.62 4.08 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 87 T 7.88 3.84 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 1.22 0.00 0.00 88 L 7.97 4.11 0.00 2.05 1.85 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.42 4.37 0.00 4.16 4.12 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 90 E 8.31 3.86 0.00 2.25 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 2.34 2.49 0.00 91 L 8.07 3.98 0.00 1.78 1.85 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.58 4.14 0.00 3.59 3.75 0.00 5.86 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.71 3.54 0.00 1.23 2.45 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 94 D 8.35 4.30 0.00 2.65 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 95 K 7.67 4.25 0.00 1.79 1.78 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.47 7.81 96 L 7.76 4.10 0.00 1.66 1.60 0.68 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.09 4.04 0.00 3.52 3.40 0.00 5.64 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.74 3.87 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 0.06 0.00 0.00 0.48 0.00 0.00 99 D 8.75 4.28 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 3.00 0.00 1.89 1.73 0.00 3.35 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.44 0.00 101 E 7.97 3.77 0.00 1.97 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 2.23 2.29 0.00 102 N 8.01 4.28 0.00 2.57 2.74 0.00 0.00 6.96 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 0.00 103 F 7.68 4.52 0.00 3.07 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 0.00 104 R 7.91 3.99 0.00 1.96 1.95 0.00 3.10 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 105 L 7.65 3.78 0.00 1.69 1.32 0.51 -0.04 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 0.00 106 L 8.14 4.10 0.00 1.83 1.87 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.09 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 0.00 108 N 8.15 4.44 0.00 2.82 2.95 0.00 0.00 6.74 7.70 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 0.00 109 V 8.00 3.63 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 1.05 0.00 0.00 1.20 0.00 0.00 110 L 8.51 3.86 0.00 1.68 1.84 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.77 3.54 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 1.23 0.00 0.00 1.15 0.00 0.00 112 C 8.19 4.16 0.00 3.19 2.96 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 0.00 113 V 7.81 3.53 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 0.91 0.00 0.00 0.91 0.00 0.00 114 L 7.86 3.88 0.00 1.13 1.12 0.62 0.66 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 0.00 115 A 7.26 3.72 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 0.00 116 H 7.88 4.06 0.00 3.20 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.05 4.18 0.00 2.86 2.60 0.00 5.70 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 0.00 118 F 8.47 4.61 0.00 3.27 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 0.00 119 G 8.79 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 0.00 0.00 0.00 0.00 120 K 9.33 3.84 0.00 1.82 1.97 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.44 7.81 121 E 8.25 4.09 0.00 2.23 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 2.37 2.32 0.00 122 F 8.11 4.50 0.00 3.11 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 0.00 123 T 7.21 4.17 4.21 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 1.33 0.00 0.00 124 P 0.00 4.16 0.00 2.15 2.14 0.00 3.57 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 2.11 2.18 0.00 125 P 0.00 4.24 0.00 2.11 2.07 0.00 3.48 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 126 V 7.26 3.54 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 1.00 0.00 0.00 0.89 0.00 0.00 127 Q 7.82 3.70 0.00 1.79 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 128 A 8.01 3.99 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 0.00 129 A 7.77 3.92 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 0.00 130 Y 8.09 3.97 0.00 3.42 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 0.00 131 Q 8.61 4.13 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.61 0.00 132 K 8.01 4.03 0.00 1.95 1.84 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.66 7.81 133 V 7.72 3.49 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 0.94 0.00 0.00 0.77 0.00 0.00 134 V 8.31 3.80 2.35 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 1.01 0.00 0.00 1.12 0.00 0.00 135 A 8.16 4.14 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 0.00 136 G 8.29 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 0.00 137 V 8.15 3.44 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 0.65 0.00 0.00 0.71 0.00 0.00 138 A 8.03 3.87 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 0.00 139 N 8.32 4.29 0.00 2.88 2.90 0.00 0.00 7.06 6.91 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 0.00 140 A 8.03 4.17 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 0.00 141 L 8.01 3.84 0.00 1.01 0.71 -0.12 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.68 4.48 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 0.00 143 H 7.84 4.24 0.00 3.29 3.57 0.00 5.74 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.04 4.42 0.00 1.83 1.84 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.74 7.81 145 Y 7.95 3.97 0.00 3.12 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 0.00 146 H 8.18 4.45 0.00 3.19 3.24 0.00 5.75 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