NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.2893 118.1881 54.3177 32.8443 174.2673 2 K 4.5184 7.5617 117.4204 56.0469 36.3818 172.3833 3 K 5.6019 8.4790 120.1972 54.7755 35.9816 175.9666 4 L 4.7179 8.3427 122.8272 54.9823 43.8410 173.7587 5 Q 5.2779 8.8090 118.5037 54.3164 33.5050 174.3651 6 I 4.6922 8.2905 119.6435 59.1011 39.9571 176.3554 7 A 4.3749 8.3655 133.6818 51.5263 15.5186 176.2894 8 V 4.2458 7.3629 121.9742 57.9340 31.7962 176.1392 9 G 4.3301 7.5924 118.5651 44.5672 0.0000 172.7931 10 I 4.1320 7.9445 127.0785 62.0746 39.1163 174.9160 11 I 5.7440 8.4250 115.4515 59.5089 37.6578 173.4775 12 R 5.5303 8.5986 126.3546 56.2885 31.1980 177.8885 13 N 4.7330 8.6181 115.2740 53.5637 40.6237 174.4878 14 E 4.1248 8.0963 119.8949 58.4042 30.6148 174.7385 15 N 4.8845 8.0682 116.0104 54.3582 45.7800 175.9872 16 N 4.6468 7.9432 114.8224 52.0185 39.8369 174.4018 17 E 5.4996 8.6469 118.6603 54.4658 30.2947 175.9222 18 I 5.5810 8.3735 118.6091 58.8198 40.4280 175.3502 19 F 5.3280 8.9728 124.7533 58.3131 39.4900 174.9742 20 I 4.2612 7.8800 117.3619 60.3401 39.9109 174.8022 21 T 4.0458 8.3796 121.2156 62.6319 66.3988 173.4028 22 R 4.0540 7.7723 129.5572 56.1795 28.9863 176.4810 23 R 3.3564 7.7785 112.0206 56.0361 28.1223 176.0822 24 A 4.2486 8.3660 130.8417 55.2267 18.7693 178.7134 25 A 4.2110 7.5793 116.1058 51.2478 19.3757 176.8210 26 D 4.2708 8.5797 119.8371 54.7542 40.7756 176.1603 27 A 4.6744 8.1558 127.2056 50.6656 20.8396 176.3588 28 H 4.2099 8.6910 119.7312 58.2284 30.5035 175.0491 29 M 4.5739 7.5862 117.8239 54.8960 34.3542 176.9688 30 A 4.4811 8.2071 122.5680 54.2773 20.4697 176.9348 31 N 5.4625 8.0274 113.1372 53.7274 38.7337 175.1131 32 K 4.1346 7.6368 118.5980 56.9976 32.2612 177.7153 33 L 4.0048 7.1598 119.2757 52.6711 41.8929 176.9066 34 E 4.4620 7.4062 132.3654 54.9260 28.0939 178.4290 35 F 5.2229 8.4581 114.0051 55.3855 42.8672 172.4863 36 P 4.8504 0.0000 0.0000 62.0723 29.3752 177.3725 37 G 4.2950 8.3657 115.4976 48.1458 0.0000 170.8898 38 G 5.2455 9.2650 118.8571 45.1137 0.0000 168.7199 39 K 4.3384 7.8949 126.3189 55.5991 30.3536 174.4600 40 I 3.9629 8.1720 126.5456 60.4313 38.6927 173.8114 41 E 4.7194 8.3409 127.1258 57.2303 33.8610 176.2931 42 M 4.0994 8.1900 118.0744 55.7910 33.6926 179.9775 43 G 3.7746 8.0125 110.4196 46.6437 0.0000 174.4211 44 E 4.7502 8.6577 117.9557 55.8316 31.5660 174.9238 45 T 4.5159 7.3293 114.2610 61.5388 72.6277 173.1058 46 P 3.5184 0.0000 0.0000 65.1901 31.1552 177.4768 47 E 3.2988 6.9698 118.5154 58.1864 29.3566 178.4202 48 Q 3.9383 7.6294 117.8728 59.1829 28.9799 178.7805 49 A 3.8113 7.9225 122.5119 54.8524 18.3503 180.0483 50 V 3.2531 7.2469 116.8056 64.6366 31.7060 178.7752 51 V 3.0840 7.3359 120.7469 64.4318 30.9658 178.5100 52 R 4.0237 7.6637 118.4127 58.3909 29.7660 178.2815 53 E 4.3232 7.7002 118.1525 57.2450 29.4982 178.8287 54 L 3.3388 7.3307 120.4477 57.2087 41.4112 179.0794 55 Q 4.6955 7.2717 116.0754 59.5213 28.8342 177.9855 56 E 4.0994 8.1474 119.5284 59.3461 29.1493 177.6359 57 E 4.2387 7.9595 119.6398 58.6878 29.2888 178.0950 58 V 3.7733 8.3388 124.4314 61.7426 32.8005 174.6858 59 G 3.5219 7.8443 115.2039 45.4387 0.0000 173.0211 60 I 4.1426 7.1290 117.5235 59.6978 39.2209 172.9130 61 T 4.0619 7.0332 112.1295 64.5313 71.3246 174.7869 62 P 4.5457 0.0000 0.0000 63.1792 32.1282 175.1709 63 Q 4.9797 10.2209 120.9418 56.6692 26.1818 171.6890 64 H 3.8939 8.2766 117.1994 56.8075 27.6715 173.1701 65 F 4.8966 7.8233 115.3007 56.6331 39.2278 175.6894 66 S 4.9746 9.2901 116.1310 56.6488 65.0760 173.9506 67 L 2.6346 8.4226 128.5876 55.2913 42.4692 176.9345 68 F 4.3990 8.1208 124.7507 56.5494 38.8753 174.7339 69 E 4.4015 6.2528 116.8611 56.4287 32.0341 175.1207 70 K 4.5775 7.2396 117.1863 56.2317 35.0384 174.5098 71 L 4.6141 7.8534 121.2311 54.4624 44.1452 175.3270 72 E 4.8253 8.1796 118.6925 55.7210 30.6956 172.5105 73 Y 4.4753 8.4032 126.8631 56.8515 40.2044 173.1617 74 E 4.6216 8.9116 127.6735 54.6917 31.3045 174.8079 75 F 5.1131 8.4149 124.2515 54.6496 42.3761 173.6845 76 P 4.5653 0.0000 0.0000 65.6972 30.9301 178.1999 77 D 4.8679 7.8416 114.9598 52.7922 39.9866 175.8292 78 R 4.4882 7.9157 119.4559 56.1542 33.1461 173.3428 79 H 4.6420 9.0617 121.6995 55.1421 27.2232 174.8331 80 I 4.8888 8.3736 124.7030 60.3969 39.5420 174.4939 81 T 4.8410 8.5980 119.2078 62.7296 73.5135 173.7470 82 L 4.8095 8.1435 122.3592 53.7611 43.8859 172.6965 83 W 4.0920 9.3192 123.8932 56.4923 30.1692 176.0800 84 F 4.5687 8.0127 126.3987 56.0919 36.6265 176.5938 85 W 4.7641 8.1827 119.5850 56.3865 29.2330 175.0888 86 L 4.9036 9.4875 125.5450 54.7544 42.2467 176.8443 87 V 5.3654 8.5564 116.7142 59.1181 34.7816 176.0413 88 E 5.3907 9.3627 117.2111 56.2461 32.2933 177.3480 89 R 4.5670 7.5321 114.7520 55.4288 29.6552 174.0609 90 W 4.5833 7.2822 119.4722 55.4811 30.2656 176.3536 91 E 3.9927 8.7597 119.8596 57.2749 29.2663 180.4854 92 G 3.4932 7.7475 110.5031 45.2380 0.0000 173.3910 93 E 4.6270 7.7990 122.2418 52.9095 32.4883 176.5195 94 P 3.3031 0.0000 0.0000 63.7428 32.4531 175.2114 95 W 4.1945 7.9403 113.8534 57.4304 29.5228 173.3402 96 G 4.3232 9.0309 122.4964 45.9413 0.0000 173.1017 97 K 3.9459 8.6213 118.4679 57.2561 34.0500 174.2560 98 E 4.4522 9.0690 127.7576 56.7819 28.0112 177.6105 99 G 4.0565 9.2822 102.8293 45.3757 0.0000 173.3672 100 Q 4.4437 7.4495 118.1669 53.6582 30.4891 175.3299 101 P 3.9349 0.0000 0.0000 65.0416 31.4406 173.8152 102 G 3.6278 7.9532 114.9300 43.6667 0.0000 172.2484 103 E 3.3797 7.5221 121.0467 53.8215 33.2117 174.7262 104 W 5.0067 7.9428 121.4538 58.2676 30.1396 175.1523 105 M 4.6134 9.4798 123.4472 53.6170 34.4441 175.2840 106 S 5.6780 8.6428 123.0064 57.1780 60.4938 172.9244 107 L 3.9776 7.4489 125.6789 55.7296 42.8984 177.5376 108 V 3.5617 7.9912 126.5717 63.8478 29.8333 170.0150 109 G 3.9244 8.5748 109.9124 45.8252 0.0000 170.2646 110 L 3.9209 7.1661 123.7625 53.6688 43.4266 177.3999 111 N 4.8290 8.4184 116.1774 52.1038 40.3616 175.6962 112 A 3.9955 8.2383 118.8136 53.1848 16.8844 178.7311 113 D 4.2472 7.8510 114.8967 55.8737 41.7067 176.5433 114 D 5.4740 8.1321 116.2711 53.5541 42.2051 175.5743 115 F 4.8589 7.4098 118.0312 54.5300 40.6578 174.0868 116 P 4.5137 0.0000 0.0000 61.9422 32.0173 175.7619 117 P 4.1110 0.0000 0.0000 65.4957 31.6235 178.0727 118 A 4.2878 8.3337 121.5604 55.7144 18.4784 178.8764 119 N 4.8953 7.8178 112.3102 53.4202 39.2298 177.7602 120 E 3.9329 8.3439 120.6092 59.2253 29.5890 177.0250 121 P 4.0668 0.0000 0.0000 65.1338 31.5260 177.8139 122 V 3.7260 7.2944 115.3832 64.5927 32.1969 177.6835 123 I 3.5375 7.9362 119.5084 64.1457 36.6064 178.1230 124 A 3.9741 7.7471 121.1198 55.0648 18.4021 179.5091 125 K 4.1019 8.1054 117.0638 59.3574 32.0821 179.4386 126 L 3.6800 7.8629 118.8085 57.7768 41.2838 179.3698 127 K 4.2893 7.6068 118.4191 59.2343 32.0591 178.9759 128 R 3.9304 7.9499 116.8646 58.8371 30.3406 176.4188 129 L 3.8255 7.3075 123.4085 55.4415 43.6665 173.7049 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 8.29 4.41 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 K 7.56 4.52 0.00 1.86 1.92 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 K 8.48 5.60 0.00 1.80 1.70 0.00 1.70 0.00 0.00 2.48 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.54 7.81 4 L 8.34 4.72 0.00 1.74 1.76 1.02 0.45 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 5 Q 8.81 5.28 0.00 2.27 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.74 2.59 0.00 6 I 8.29 4.69 2.07 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 1.23 0.92 0.98 0.00 0.00 7 A 8.37 4.37 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.36 4.25 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 0.15 0.00 0.00 0.94 0.00 0.00 9 G 7.59 4.33 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 0.00 10 I 7.94 4.13 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.43 0.00 0.00 11 I 8.42 5.74 2.62 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 1.35 0.00 0.00 12 R 8.60 5.53 0.00 1.98 2.23 0.00 3.39 0.00 0.00 3.30 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 13 N 8.62 4.73 0.00 2.51 2.47 0.00 0.00 5.69 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 14 E 8.10 4.12 0.00 1.88 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 2.21 2.20 0.00 15 N 8.07 4.88 0.00 2.66 2.96 0.00 0.00 6.71 7.79 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 16 N 7.94 4.65 0.00 2.70 2.75 0.00 0.00 7.43 7.76 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 17 E 8.65 5.50 0.00 2.19 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 2.44 2.34 0.00 18 I 8.37 5.58 2.21 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.74 1.22 0.00 0.00 19 F 8.97 5.33 0.00 3.17 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 20 I 7.88 4.26 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.88 1.00 0.00 0.00 21 T 8.38 4.05 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 1.14 0.00 0.00 22 R 7.77 4.05 0.00 1.72 1.72 0.00 3.26 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 23 R 7.78 3.36 0.00 2.17 2.19 0.00 3.08 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 24 A 8.37 4.25 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 25 A 7.58 4.21 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.58 4.27 0.00 2.66 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 27 A 8.16 4.67 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 28 H 8.69 4.21 0.00 3.15 3.33 0.00 5.72 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 29 M 7.59 4.57 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 30 A 8.21 4.48 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 31 N 8.03 5.46 0.00 2.69 2.82 0.00 0.00 7.23 7.61 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 32 K 7.64 4.13 0.00 1.62 1.65 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.38 7.81 33 L 7.16 4.00 0.00 0.27 0.13 0.63 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.41 4.46 0.00 1.81 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 2.31 2.34 0.00 35 F 8.46 5.22 0.00 3.22 2.78 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 36 P 0.00 4.85 0.00 2.37 2.46 0.00 4.29 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 37 G 8.37 4.29 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 0.00 38 G 9.27 5.25 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 0.00 0.00 0.00 39 K 7.89 4.34 0.00 1.90 1.89 0.00 1.70 0.00 0.00 2.32 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.31 1.43 7.81 40 I 8.17 3.96 1.64 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.88 0.00 0.00 41 E 8.34 4.72 0.00 2.02 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 2.21 2.18 0.00 42 M 8.19 4.10 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 43 G 8.01 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.75 0.00 1.86 1.85 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 2.11 2.17 0.00 45 T 7.33 4.52 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 46 P 0.00 3.52 0.00 2.08 1.28 0.00 3.41 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.68 0.00 47 E 6.97 3.30 0.00 1.75 1.60 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 2.09 2.01 0.00 48 Q 7.63 3.94 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 49 A 7.92 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 50 V 7.25 3.25 1.63 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 -0.07 0.00 0.00 0.83 0.00 0.00 51 V 7.34 3.08 1.46 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 0.63 0.00 0.00 0.77 0.00 0.00 52 R 7.66 4.02 0.00 1.85 1.91 0.00 3.39 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 53 E 7.70 4.32 0.00 1.87 1.85 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 2.23 2.20 0.00 54 L 7.33 3.34 0.00 0.86 0.13 -0.59 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 7.27 4.70 0.00 2.40 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 56 E 8.15 4.10 0.00 2.26 2.23 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 2.25 2.37 0.00 57 E 7.96 4.24 0.00 1.97 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 0.00 2.26 2.36 0.00 58 V 8.34 3.77 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 0.85 0.00 0.00 0.94 0.00 0.00 59 G 7.84 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 60 I 7.13 4.14 1.38 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 0.38 -0.36 0.79 0.00 0.00 61 T 7.03 4.06 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 62 P 0.00 4.55 0.00 2.52 2.24 0.00 3.52 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 2.13 1.92 0.00 63 Q 10.22 4.98 0.00 2.97 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9.01 6.29 0.00 0.00 0.00 0.00 0.00 3.05 2.52 0.00 64 H 8.28 3.89 0.00 3.34 3.30 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 7.82 4.90 0.00 3.41 3.39 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 66 S 9.29 4.97 0.00 4.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.42 2.63 0.00 0.89 1.32 0.56 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.12 4.40 0.00 3.15 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 69 E 6.25 4.40 0.00 1.16 1.12 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 1.69 1.58 0.00 70 K 7.24 4.58 0.00 1.17 1.22 0.00 0.61 0.00 0.00 0.91 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.90 7.81 71 L 7.85 4.61 0.00 1.63 1.63 1.01 0.86 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 72 E 8.18 4.83 0.00 1.83 1.78 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 2.24 2.25 0.00 73 Y 8.40 4.48 0.00 3.06 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 0.00 0.00 0.00 0.00 74 E 8.91 4.62 0.00 1.97 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 75 F 8.41 5.11 0.00 3.30 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 76 P 0.00 4.57 0.00 2.05 2.17 0.00 3.87 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.14 0.00 77 D 7.84 4.87 0.00 2.72 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 78 R 7.92 4.49 0.00 1.89 2.12 0.00 3.18 0.00 0.00 3.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 79 H 9.06 4.64 0.00 3.32 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.37 4.89 2.00 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 1.45 0.92 1.04 0.00 0.00 81 T 8.60 4.84 4.35 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 1.10 0.00 0.00 82 L 8.14 4.81 0.00 1.88 1.61 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 83 W 9.32 4.09 0.00 3.64 3.36 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 84 F 8.01 4.57 0.00 3.08 3.39 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 85 W 8.18 4.76 0.00 3.45 3.43 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 86 L 9.49 4.90 0.00 1.69 1.68 1.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.56 5.37 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 1.54 0.00 0.00 1.39 0.00 0.00 88 E 9.36 5.39 0.00 1.80 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 0.00 2.51 2.17 0.00 89 R 7.53 4.57 0.00 1.77 1.92 0.00 3.04 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 90 W 7.28 4.58 0.00 3.16 3.44 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 91 E 8.76 3.99 0.00 2.01 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 2.29 2.32 0.00 92 G 7.75 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 E 7.80 4.63 0.00 1.91 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 2.11 2.28 0.00 94 P 0.00 3.30 0.00 0.92 0.49 0.00 3.30 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.91 0.00 95 W 7.94 4.19 0.00 3.59 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 96 G 9.03 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 0.00 0.00 0.00 97 K 8.62 3.95 0.00 1.98 2.16 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.74 7.81 98 E 9.07 4.45 0.00 2.17 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 2.39 2.38 0.00 99 G 9.28 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 0.00 100 Q 7.45 4.44 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 101 P 0.00 3.93 0.00 2.13 2.10 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.99 0.00 102 G 7.95 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 0.00 103 E 7.52 3.38 0.00 1.60 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 1.99 2.05 0.00 104 W 7.94 5.01 0.00 3.64 3.36 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 0.00 105 M 9.48 4.61 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 106 S 8.64 5.68 0.00 3.96 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 0.00 107 L 7.45 3.98 0.00 1.80 1.74 1.25 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.99 3.56 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 0.75 0.00 0.00 0.96 0.00 0.00 109 G 8.57 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 0.00 0.00 0.00 110 L 7.17 3.92 0.00 1.66 1.44 0.99 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.42 4.83 0.00 2.78 2.76 0.00 0.00 6.96 8.17 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 0.00 112 A 8.24 4.00 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 0.00 113 D 7.85 4.25 0.00 2.65 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 0.00 114 D 8.13 5.47 0.00 2.94 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.41 4.86 0.00 3.03 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 0.00 116 P 0.00 4.51 0.00 2.36 2.20 0.00 3.53 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 117 P 0.00 4.11 0.00 2.31 2.40 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.01 0.00 118 A 8.33 4.29 1.51 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 0.00 0.00 119 N 7.82 4.90 0.00 3.09 3.34 0.00 0.00 7.63 7.96 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 0.00 120 E 8.34 3.93 0.00 2.02 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 0.00 2.33 2.42 0.00 121 P 0.00 4.07 0.00 1.78 1.89 0.00 3.33 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 122 V 7.29 3.73 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 -0.95 0.00 0.00 0.34 0.00 0.00 123 I 7.94 3.54 2.03 0.00 0.00 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 1.41 1.05 0.91 0.00 0.00 124 A 7.75 3.97 1.25 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 0.00 0.00 125 K 8.11 4.10 0.00 2.12 2.11 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.70 7.81 126 L 7.86 3.68 0.00 1.63 1.47 0.49 0.48 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 0.00 127 K 7.61 4.29 0.00 1.84 1.90 0.00 1.87 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.41 7.81 128 R 7.95 3.93 0.00 1.79 1.96 0.00 3.29 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 129 L 7.31 3.83 0.00 1.75 1.49 0.66 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00