NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2983 8.3144 120.1357 55.8369 34.3196 175.0021 2 K 4.1713 7.5132 116.9059 55.2863 34.6833 172.2692 3 Q 4.6509 8.5374 122.5437 54.2453 31.8651 177.1113 4 C 4.6380 8.4220 121.8518 56.3613 40.7575 174.5740 5 G 3.9689 7.6117 123.5578 44.7029 0.0000 173.1494 6 V 3.4242 8.2647 119.1857 65.9130 31.6611 178.1008 7 L 3.9216 7.7467 118.1915 57.8057 41.8812 179.1230 8 E 3.9567 8.3778 117.1664 59.5615 28.9352 179.3909 9 G 3.5186 7.4492 107.1333 47.6760 0.0000 175.4365 10 L 3.8257 7.7738 122.2185 57.2719 41.6503 179.8176 11 K 3.8852 8.2768 119.3415 59.5114 32.2143 178.9311 12 V 3.0222 7.4107 118.1564 65.7771 31.1245 177.6483 13 K 3.7716 8.3429 118.5986 59.6366 32.1514 178.4077 14 S 4.2827 8.0697 113.0999 61.5898 62.3748 175.8591 15 E 4.1866 8.7149 121.7356 59.3672 29.2822 179.2484 16 W 4.8183 9.2659 128.9169 60.4559 30.6165 178.0051 17 G 3.8029 8.2662 105.8255 48.1138 0.0000 175.8669 18 R 3.8666 7.8864 118.5078 58.8406 30.3294 178.5464 19 A 3.8242 7.8024 119.4072 55.0078 18.3811 178.7279 20 Y 2.9866 7.2714 117.3976 61.9033 39.3000 177.9777 21 G 3.5574 7.9020 108.9031 45.7048 0.0000 171.4348 22 S 4.2379 8.2273 114.4028 57.8707 67.0471 176.6488 23 G 3.7323 8.0395 111.1187 47.6243 0.0000 175.5908 24 H 4.2597 8.9374 121.4646 58.5740 28.4583 175.9665 25 D 4.4148 8.2315 120.2635 57.7688 40.4793 179.1297 26 R 4.0499 7.8346 118.2289 59.4836 29.9268 177.8130 27 E 4.0303 8.0958 118.5713 58.9584 29.3286 178.6541 28 A 4.2531 8.2309 120.3382 54.3919 19.5279 178.7060 29 F 4.1809 8.8244 120.4003 61.6684 39.2930 177.7383 30 S 4.0055 8.6594 113.7139 61.7822 62.8193 175.8201 31 Q 4.0427 7.6964 120.7592 58.7191 28.4901 179.0795 32 A 3.9409 8.7614 121.9739 55.5106 18.4030 179.5129 33 I 3.2209 7.3013 117.7745 64.3920 37.1195 178.7115 34 W 3.5880 8.1156 119.6842 59.6241 28.8762 178.7339 35 R 4.0250 8.3161 117.9250 59.3653 29.2914 179.0030 36 A 3.9688 7.8311 119.4804 55.2888 18.6654 179.6288 37 T 3.8311 7.6832 114.3123 66.9140 67.4340 176.9436 38 F 4.6520 8.5623 119.7770 60.7943 38.7085 177.7122 39 A 4.3593 8.0667 119.6953 54.9768 18.1596 179.5927 40 Q 4.2208 7.9412 115.9832 58.0004 30.4533 177.5763 41 V 4.4810 7.1012 114.6834 57.5733 31.9452 174.2372 42 P 4.2611 0.0000 0.0000 65.7568 30.9603 178.1152 43 E 3.9957 8.3414 118.3162 59.6046 29.4482 179.1900 44 S 4.1213 8.0503 113.5392 60.8477 62.9286 176.4553 45 R 3.2815 7.7161 122.5803 59.1314 29.4241 178.7267 46 S 4.1396 7.5691 113.2775 61.4038 62.8088 176.3654 47 L 4.0481 7.9518 121.8489 56.4909 41.5793 177.9030 48 F 4.7459 7.9147 116.9623 57.1601 40.0931 178.0953 49 K 3.9515 8.0291 122.3186 59.2276 32.4009 177.9199 50 R 3.9986 8.0118 118.4927 58.1479 30.6822 176.7592 51 V 4.3940 7.3294 115.9961 63.5284 31.4159 176.3639 52 H 4.2370 7.2866 114.7875 56.9182 26.1237 176.4207 53 G 3.0068 8.1559 108.4045 47.0206 0.0000 173.2728 54 D 4.1472 7.9861 120.0498 55.3663 39.6474 174.8647 55 D 4.8119 7.3678 120.6665 51.7106 41.4066 175.7002 56 T 3.5905 8.4091 121.6419 64.6271 67.3675 174.6285 57 S 4.6528 8.1399 114.5649 58.7894 63.5190 173.9566 58 H 4.3945 8.6368 122.7746 54.8624 31.0924 173.5172 59 P 4.2066 0.0000 0.0000 66.3300 30.8218 177.9845 60 A 4.0214 8.4895 120.1239 55.0579 18.1513 179.3144 61 F 4.1924 8.3076 118.3505 61.3204 39.4967 177.0530 62 I 3.5504 8.1877 119.7277 64.4670 36.9051 177.8935 63 A 3.9468 8.5509 121.6674 55.3375 18.1535 178.7082 64 H 3.8738 8.3075 115.8807 59.7534 29.8934 176.6045 65 A 3.7868 7.9939 122.3970 55.4366 17.9132 178.8771 66 D 4.4804 8.4262 115.8635 57.6053 40.9678 178.9335 67 R 4.0076 8.1487 118.9219 58.9323 30.3491 178.4225 68 V 3.7718 8.0410 118.4920 66.1281 31.7232 177.7401 69 L 4.2360 8.2715 118.8952 57.9801 41.4900 179.6104 70 G 4.0942 8.0157 105.4468 48.0686 0.0000 175.7096 71 G 3.5997 8.1145 108.5304 47.4025 0.0000 175.1713 72 L 3.8023 8.0603 123.0059 58.0646 41.6931 178.0635 73 D 3.9380 8.4813 118.1462 56.9670 40.9690 177.8944 74 I 4.0390 7.9241 121.4116 64.4482 37.6151 177.4549 75 A 3.8660 8.3150 121.2517 55.1703 17.9512 179.3297 76 I 3.4128 7.9005 116.4438 64.1865 37.6698 178.6696 77 S 4.4647 8.5953 113.5272 59.9873 62.5409 174.9902 78 T 4.6528 7.7423 111.8263 61.6624 69.3630 175.4545 79 L 4.1369 8.2210 122.1253 57.0835 41.5587 177.3922 80 D 4.8882 7.8722 117.1444 53.0226 40.2704 177.2833 81 Q 4.5630 8.0404 118.3300 53.0380 30.0029 173.4302 82 P 4.1630 0.0000 0.0000 66.2024 31.3616 177.7225 83 A 3.9563 8.0541 118.6721 55.5316 18.4717 179.3708 84 T 3.9166 7.7662 112.4930 66.5555 68.7943 176.2716 85 L 3.8396 7.8710 122.2558 58.4475 41.9440 178.7818 86 K 3.8316 8.1523 119.4256 59.7061 32.1047 177.5702 87 E 3.8737 8.1454 119.0605 59.3197 29.5160 178.0883 88 E 3.9131 8.2001 118.5559 59.4493 29.5769 178.4972 89 L 3.9317 8.2668 118.9817 58.1187 41.8820 179.1405 90 D 4.3421 8.3717 118.9100 57.7316 40.5538 178.4410 91 H 4.1684 8.4176 117.5409 59.3584 30.2801 176.8201 92 L 4.1326 8.3237 120.8912 58.1373 41.4444 179.2205 93 Q 4.2089 8.6207 121.1875 59.0207 28.8100 179.5254 94 V 3.5842 7.7553 118.4682 66.2443 31.5305 177.9368 95 Q 4.1308 7.8687 115.3380 58.3197 28.7796 177.5563 96 H 4.6924 7.8766 117.2411 55.9217 30.4706 174.7531 97 E 4.2514 7.8867 118.0881 57.9150 29.8466 175.6499 98 G 4.2237 9.0426 110.9679 46.3489 0.0000 174.5988 99 R 4.2177 7.6729 118.6973 55.1325 31.1805 178.2295 100 K 4.2749 8.4251 123.5688 56.2681 29.7937 177.0489 101 I 4.1991 7.3450 119.3316 58.9558 37.8556 174.6728 102 P 4.4309 0.0000 0.0000 62.2191 32.0831 177.3267 103 D 4.6431 8.7135 120.1212 56.7559 40.5041 178.6202 104 N 4.3823 8.0672 117.9491 56.8964 38.9991 176.1130 105 Y 4.4801 8.0588 117.9784 61.4418 38.0446 178.1958 106 F 4.0178 8.6944 118.2067 60.8607 38.9813 177.0742 107 D 4.4505 8.3264 116.5917 57.4718 41.0518 178.2176 108 A 4.0248 7.8376 121.1530 55.3448 18.4480 179.2953 109 F 4.1323 8.5631 120.7632 60.4930 39.2843 177.2851 110 K 3.9458 8.3550 119.2910 59.8026 32.0725 178.5718 111 T 3.8644 7.9982 115.8227 67.1954 68.3643 175.5574 112 A 3.7418 8.3805 122.0690 55.4253 18.2121 179.2818 113 I 3.2565 7.3977 116.5782 64.4955 37.3088 178.2254 114 L 3.8453 8.2222 119.5309 58.4116 41.5955 179.4575 115 H 3.8802 8.4160 116.0377 58.7412 28.6097 178.0676 116 V 3.3885 7.8016 120.0871 65.9345 31.3255 177.8740 117 V 3.5329 7.9513 118.1019 66.2099 30.8015 177.7569 118 A 2.8422 7.5998 120.1541 54.7643 17.8292 179.4985 119 A 3.9018 7.4598 118.2424 55.2626 18.4675 179.5844 120 Q 4.0590 8.0811 116.3163 58.6196 29.0032 177.8980 121 L 4.2637 8.0422 117.8531 54.0736 42.0838 177.5777 122 G 3.8960 7.9732 107.4569 44.9378 0.0000 174.5835 123 R 4.3651 8.4905 115.0133 57.0126 32.0809 177.0078 124 C 4.4199 7.8586 117.1244 58.5232 26.8301 171.2911 125 Y 5.0971 7.9043 120.3660 56.4353 41.2043 173.5548 126 D 4.5317 8.4356 126.3855 52.9963 42.1968 176.4909 127 R 3.5120 8.2507 127.3823 59.2202 30.3806 177.6775 128 E 3.9108 8.1731 117.6149 59.6221 29.5629 179.1105 129 A 3.9422 8.9115 120.5383 55.2030 18.3304 179.5987 130 W 3.8901 7.9618 116.8703 59.9441 29.2419 177.8328 131 D 4.5600 8.4951 117.9492 57.6907 40.5518 178.3420 132 A 4.0185 8.5284 121.0261 55.6728 18.2943 179.0858 133 C 4.2265 8.2604 114.6646 60.1986 40.1458 176.2820 134 I 3.5693 8.5770 122.0938 64.6097 36.6516 177.5884 135 D 4.3371 8.3176 118.8791 57.5360 41.2258 177.4267 136 H 4.2936 8.5492 118.5036 59.8071 29.5611 177.3531 137 I 3.6157 7.8290 120.7167 64.2611 37.2551 177.9577 138 E 4.1278 8.4096 119.7676 59.3890 29.2914 178.8827 139 D 4.3512 8.6172 119.4538 57.4914 40.7803 179.2355 140 G 3.7753 7.6998 103.4572 46.8885 0.0000 174.5966 141 I 4.1901 7.9966 121.5840 62.2434 37.8045 177.9762 142 K 3.8953 7.3566 118.2555 59.5605 32.5003 177.4666 143 G 4.0568 8.1062 105.8656 46.1642 0.0000 174.8308 144 H 4.7016 7.5717 120.1601 56.0335 29.4816 174.9720 145 H 4.4557 8.7759 120.0896 57.0492 29.2216 173.3904 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 K 8.31 4.30 0.00 1.85 2.00 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 2 K 7.51 4.17 0.00 1.73 1.61 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.51 7.81 3 Q 8.54 4.65 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.27 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 4 C 8.42 4.64 0.00 3.00 2.97 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 5 G 7.61 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 0.00 0.00 0.00 6 V 8.26 3.42 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 1.04 0.00 0.00 0.91 0.00 0.00 7 L 7.75 3.92 0.00 1.71 1.68 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.38 3.96 0.00 2.09 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 0.00 2.36 2.59 0.00 9 G 7.45 3.52 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 0.00 0.00 0.00 10 L 7.77 3.83 0.00 1.95 1.75 0.92 0.68 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 11 K 8.28 3.89 0.00 1.79 1.89 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 12 V 7.41 3.02 1.76 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 -0.47 0.00 0.00 0.55 0.00 0.00 13 K 8.34 3.77 0.00 1.73 1.97 0.00 1.82 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 S 8.07 4.28 0.00 4.07 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 15 E 8.71 4.19 0.00 2.54 2.59 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 2.55 2.65 0.00 16 W 9.27 4.82 0.00 3.30 3.30 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 17 G 8.27 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 18 R 7.89 3.87 0.00 1.97 1.97 0.00 3.25 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 19 A 7.80 3.82 1.16 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 0.00 0.00 20 Y 7.27 2.99 0.00 1.43 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 21 G 7.90 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.24 0.00 3.79 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 23 G 8.04 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 24 H 8.94 4.26 0.00 3.18 3.32 0.00 5.66 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 25 D 8.23 4.41 0.00 2.85 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 26 R 7.83 4.05 0.00 1.66 2.04 0.00 3.18 0.00 0.00 3.39 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 27 E 8.10 4.03 0.00 2.09 2.16 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 2.37 2.40 0.00 28 A 8.23 4.25 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 29 F 8.82 4.18 0.00 3.17 3.34 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 30 S 8.66 4.01 0.00 4.23 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 0.00 31 Q 7.70 4.04 0.00 2.33 2.27 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 2.50 2.67 0.00 32 A 8.76 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 33 I 7.30 3.22 1.54 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 -0.02 -0.05 0.00 0.00 34 W 8.12 3.59 0.00 3.49 3.13 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 0.00 35 R 8.32 4.02 0.00 2.01 2.01 0.00 3.15 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 36 A 7.83 3.97 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 37 T 7.68 3.83 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 1.22 0.00 0.00 38 F 8.56 4.65 0.00 3.05 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 39 A 8.07 4.36 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.94 4.22 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 41 V 7.10 4.48 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 42 P 0.00 4.26 0.00 2.23 2.32 0.00 3.82 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 2.09 0.00 43 E 8.34 4.00 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 44 S 8.05 4.12 0.00 3.91 2.63 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 45 R 7.72 3.28 0.00 1.73 1.68 0.00 2.83 0.00 0.00 2.84 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 46 S 7.57 4.14 0.00 3.96 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 47 L 7.95 4.05 0.00 1.36 1.15 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.91 4.75 0.00 3.07 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 49 K 8.03 3.95 0.00 1.82 1.79 0.00 1.58 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.42 7.81 50 R 8.01 4.00 0.00 1.77 1.92 0.00 3.23 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 51 V 7.33 4.39 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 0.94 0.00 0.00 1.04 0.00 0.00 52 H 7.29 4.24 0.00 3.23 3.26 0.00 6.08 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 53 G 8.16 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 0.00 0.00 0.00 54 D 7.99 4.15 0.00 2.75 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 55 D 7.37 4.81 0.00 2.65 2.60 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 56 T 8.41 3.59 4.39 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 1.27 0.00 0.00 57 S 8.14 4.65 0.00 4.08 3.92 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 0.00 0.00 0.00 58 H 8.64 4.39 0.00 3.41 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.21 0.00 2.29 2.31 0.00 3.29 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.93 0.00 60 A 8.49 4.02 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 61 F 8.31 4.19 0.00 3.40 3.25 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 0.00 62 I 8.19 3.55 2.08 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 1.71 0.75 0.93 0.00 0.00 63 A 8.55 3.95 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 64 H 8.31 3.87 0.00 3.22 3.17 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 65 A 7.99 3.79 1.07 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 66 D 8.43 4.48 0.00 2.96 2.75 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 67 R 8.15 4.01 0.00 2.04 2.08 0.00 3.35 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 1.68 1.67 0.00 68 V 8.04 3.77 2.48 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 1.18 0.00 0.00 0.89 0.00 0.00 69 L 8.27 4.24 0.00 2.00 1.95 1.27 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.02 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 0.00 0.00 0.00 71 G 8.11 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 72 L 8.06 3.80 0.00 1.74 1.75 0.76 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.48 3.94 0.00 2.96 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 74 I 7.92 4.04 1.97 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 1.44 2.02 0.91 0.00 0.00 75 A 8.32 3.87 1.20 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 0.00 0.00 76 I 7.90 3.41 1.16 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.16 0.54 0.00 0.00 77 S 8.60 4.46 0.00 4.04 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 0.00 78 T 7.74 4.65 4.22 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 1.23 0.00 0.00 79 L 8.22 4.14 0.00 1.57 1.70 0.74 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.87 4.89 0.00 2.74 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 81 Q 8.04 4.56 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 82 P 0.00 4.16 0.00 2.25 2.34 0.00 3.71 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 2.08 2.07 0.00 83 A 8.05 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 84 T 7.77 3.92 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 85 L 7.87 3.84 0.00 1.93 1.81 0.89 0.30 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 86 K 8.15 3.83 0.00 1.95 2.16 0.00 1.57 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.53 7.81 87 E 8.15 3.87 0.00 2.21 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 2.31 2.37 0.00 88 E 8.20 3.91 0.00 2.11 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 2.36 2.46 0.00 89 L 8.27 3.93 0.00 1.80 1.82 0.78 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.37 4.34 0.00 3.00 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 91 H 8.42 4.17 0.00 3.16 3.53 0.00 5.78 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 92 L 8.32 4.13 0.00 1.90 1.73 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.62 4.21 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 94 V 7.76 3.58 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 1.00 0.00 0.00 1.01 0.00 0.00 95 Q 7.87 4.13 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 96 H 7.88 4.69 0.00 3.36 3.46 0.00 5.83 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 7.89 4.25 0.00 2.06 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 2.53 2.29 0.00 98 G 9.04 4.22 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 0.00 99 R 7.67 4.22 0.00 1.93 1.86 0.00 3.13 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 100 K 8.43 4.27 0.00 1.74 1.78 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 101 I 7.35 4.20 2.18 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 1.04 0.00 0.00 102 P 0.00 4.43 0.00 2.03 1.97 0.00 3.15 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.08 0.00 103 D 8.71 4.64 0.00 2.75 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 0.00 104 N 8.07 4.38 0.00 2.86 2.75 0.00 0.00 7.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 8.06 4.48 0.00 3.16 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 0.00 106 F 8.69 4.02 0.00 3.22 3.53 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 0.00 107 D 8.33 4.45 0.00 3.10 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 0.00 108 A 7.84 4.02 1.48 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 0.00 0.00 0.00 109 F 8.56 4.13 0.00 2.87 3.14 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 0.00 0.00 0.00 0.00 110 K 8.36 3.95 0.00 2.27 2.08 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.59 7.81 111 T 8.00 3.86 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 112 A 8.38 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.40 3.26 1.94 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 1.07 -0.21 1.09 0.00 0.00 114 L 8.22 3.85 0.00 1.95 1.72 1.17 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 115 H 8.42 3.88 0.00 3.21 3.26 0.00 5.82 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 0.00 116 V 7.80 3.39 1.84 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 0.76 0.00 0.00 0.75 0.00 0.00 117 V 7.95 3.53 1.70 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 0.26 0.00 0.00 0.88 0.00 0.00 118 A 7.60 2.84 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 0.00 119 A 7.46 3.90 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 0.00 120 Q 8.08 4.06 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.78 0.00 121 L 8.04 4.26 0.00 1.46 1.85 1.11 0.81 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 0.00 122 G 7.97 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 0.00 123 R 8.49 4.37 0.00 1.91 2.03 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 124 C 7.86 4.42 0.00 3.05 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 0.00 125 Y 7.90 5.10 0.00 2.86 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 0.00 126 D 8.44 4.53 0.00 2.78 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 0.00 127 R 8.25 3.51 0.00 1.96 1.88 0.00 3.37 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 128 E 8.17 3.91 0.00 2.17 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 2.42 2.42 0.00 129 A 8.91 3.94 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 0.00 130 W 7.96 3.89 0.00 3.43 3.40 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 0.00 131 D 8.50 4.56 0.00 2.77 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 0.00 132 A 8.53 4.02 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 0.00 133 C 8.26 4.23 0.00 2.82 2.98 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 0.00 134 I 8.58 3.57 2.06 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 1.78 1.27 1.04 0.00 0.00 135 D 8.32 4.34 0.00 3.18 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 0.00 136 H 8.55 4.29 0.00 3.23 3.43 0.00 5.83 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 0.00 137 I 7.83 3.62 1.97 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 1.38 0.76 0.83 0.00 0.00 138 E 8.41 4.13 0.00 2.24 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 2.67 2.63 0.00 139 D 8.62 4.35 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 140 G 7.70 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 0.00 141 I 8.00 4.19 1.95 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 1.50 0.97 0.91 0.00 0.00 142 K 7.36 3.90 0.00 1.49 1.66 0.00 1.52 0.00 0.00 0.78 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.79 7.81 143 G 8.11 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 H 7.57 4.70 0.00 3.10 3.17 0.00 5.64 0.00 0.00 0.00 0.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 H 8.78 4.46 0.00 3.04 3.16 0.00 5.93 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