NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4869 8.3349 116.7950 58.5094 64.2798 172.5882 2 V 4.4026 7.8218 114.5302 58.8507 35.4033 174.4153 3 S 4.3212 8.2887 118.2668 58.2860 64.2532 174.4031 4 I 4.0115 7.9503 116.5194 60.4021 38.2328 175.7823 5 L 4.1214 8.1405 121.6803 54.8463 42.0526 177.5781 6 R 4.3760 8.0783 122.3426 54.8961 31.0500 174.6038 7 S 4.3528 8.3735 121.3904 58.0261 63.6293 174.8119 8 S 4.5836 8.3263 118.3696 58.0032 64.1904 173.9004 9 V 4.5050 7.9359 117.3059 60.8725 31.9441 177.1386 10 N 4.6370 8.1866 122.0618 56.8686 38.5663 176.0332 11 H 4.0832 8.2230 117.3409 58.7457 28.6986 177.3692 12 R 3.9270 8.2032 120.8195 59.3019 29.3699 178.4113 13 E 4.0270 8.0999 118.1591 59.2444 29.4593 179.2809 14 V 3.6486 8.0813 118.6378 65.9144 31.5176 177.5671 15 D 4.3435 8.4303 118.1584 57.3437 40.9763 177.8452 16 E 3.9249 8.7011 120.0510 59.2163 29.5995 178.6890 17 A 3.9858 8.2331 120.8746 55.0874 18.4389 179.5596 18 I 3.8382 8.1522 118.7079 64.7673 37.2742 178.0746 19 D 4.3639 8.4726 119.0996 57.4999 40.9513 177.8734 20 N 4.3704 8.5505 117.7246 56.5466 38.8035 177.0055 21 I 3.6791 7.8841 121.5986 64.1227 37.1292 178.2565 22 L 3.9781 7.9400 121.2181 57.1691 41.5357 179.5434 23 R 3.8866 8.0870 118.5539 59.6652 29.8232 177.9927 24 Y 4.2017 8.1818 118.6649 60.4259 38.9538 176.9955 25 T 3.9128 7.9797 107.7940 60.4902 70.4083 173.6982 26 N 4.0551 7.5627 119.1368 54.8303 37.2984 171.6181 27 S 4.8540 8.1094 112.5401 56.4341 67.1432 173.2197 28 T 4.5169 8.4719 110.8720 60.0763 71.7508 175.3595 29 E 4.1352 8.6360 120.0799 59.6786 29.4361 179.3284 30 Q 3.9915 8.0657 118.5736 59.0403 28.8528 178.5199 31 Q 4.0252 8.1874 119.0775 58.9318 28.6401 178.6656 32 F 4.5130 8.5969 121.9235 61.0999 39.3298 176.9947 33 L 3.7257 8.3449 120.5136 58.2012 41.8983 178.8628 34 E 3.9407 8.4715 118.4475 59.3127 29.4754 179.2404 35 A 4.0540 8.3185 120.9571 55.4206 18.3903 179.6423 36 M 4.0259 8.3764 117.6033 58.4899 31.7801 178.6135 37 E 3.8791 8.2212 118.7906 59.3494 29.8839 178.5750 38 S 4.2874 8.2294 112.5648 60.4288 62.5144 175.1112 39 T 4.5253 7.6239 109.4629 60.7333 68.9381 174.8438 40 G 3.7185 8.2782 108.7009 46.6836 0.0000 174.8424 41 G 3.7746 8.4263 106.2366 45.5665 0.0000 175.4571 42 R 4.1647 7.6337 119.3887 55.1750 30.1277 176.7637 43 V 3.7918 8.4957 124.9605 66.1162 31.5315 177.7894 44 R 3.9611 8.0283 115.1354 59.5715 29.1900 178.8168 45 I 3.8195 7.7860 119.9069 63.6182 37.1651 178.0575 46 A 4.0821 8.4252 122.2862 55.3062 18.3320 179.8198 47 I 3.6406 8.2666 111.7856 63.8498 37.5648 178.2277 48 A 3.9885 8.1397 122.5533 55.1258 18.0559 179.8476 49 K 3.9426 8.1793 115.9656 59.4616 32.1808 179.1967 50 L 4.1137 8.0375 119.9965 57.6653 42.1070 178.9102 51 L 4.0989 8.0459 119.2335 57.7154 40.1491 178.6431 52 S 4.6870 8.0128 113.6920 58.5422 62.5751 176.3059 53 K 4.1906 7.5000 123.0068 58.6375 32.4131 176.8328 54 Q 4.5042 7.1674 119.4998 54.5083 32.0740 173.5703 55 T 4.7577 8.0778 113.3532 59.9829 71.9729 174.0925 56 S 4.0417 8.6170 117.7831 59.5531 63.0499 176.0241 57 G 3.8211 8.1073 108.8169 45.5148 0.0000 172.0525 58 G 3.9746 7.6968 106.9532 45.5530 0.0000 173.5041 59 S 4.2032 8.7890 114.9266 59.6628 63.0388 174.5284 60 G 3.9015 7.2834 107.5938 45.1251 0.0000 172.4624 61 G 3.8125 8.3665 108.4941 44.9037 0.0000 173.7368 62 S 4.4104 8.1833 114.6432 56.9987 64.1316 173.9597 63 K 4.1499 8.3505 123.0545 56.3959 32.5598 176.1852 64 L 4.8233 8.2913 124.5787 52.7905 45.5263 175.6148 65 G 3.8784 7.9307 109.0515 45.7352 0.0000 171.8109 66 G 3.9446 7.8047 107.6948 45.1524 0.0000 173.2126 67 S 4.3135 8.5251 115.6258 57.8193 63.4068 174.9543 68 G 3.7975 8.5314 111.8719 45.5174 0.0000 173.4203 69 G 3.8680 7.5795 105.7334 45.6373 0.0000 172.7718 70 S 4.5042 8.5170 114.8916 57.3494 64.1152 174.3559 71 R 3.9833 8.4915 118.8958 57.1724 29.8209 177.1077 72 K 3.8467 7.2437 115.4748 57.6469 31.9439 175.2664 73 D 4.3396 8.2341 117.7570 55.1651 41.6780 176.7698 74 L 3.6564 7.8060 118.9644 54.0815 40.8316 173.8839 75 S 4.3343 8.3148 114.4961 58.9004 63.1339 175.4614 76 V 3.8182 8.2102 122.7177 63.9477 31.8348 177.1302 77 K 4.1938 8.0110 119.3203 55.9802 32.7421 177.0454 78 G 3.9772 7.5404 107.2188 46.4085 0.0000 171.7526 79 M 4.8176 8.3360 117.4499 53.6597 35.4331 175.5452 80 L 4.4597 8.3449 124.1982 54.6231 42.9041 175.3222 81 Y 4.8060 7.9561 120.7686 55.8668 42.0150 173.9402 82 D 4.2870 6.7876 122.2728 54.3370 41.6502 176.3801 83 S 4.3530 8.5419 120.3784 58.5245 63.5406 175.6953 84 D 4.4971 8.8444 119.7532 54.9448 40.5146 175.8904 85 S 4.1150 8.0906 114.1739 61.9998 62.4549 176.6343 86 Q 3.9627 7.9958 120.9110 58.4464 28.5174 178.5204 87 Q 3.9714 7.9513 118.7626 58.8751 28.8279 178.4707 88 I 3.7051 7.9724 121.0387 64.3643 37.1309 178.2003 89 L 3.8045 8.1070 121.3626 57.9985 41.8128 178.4596 90 N 4.2276 8.3768 117.1956 56.8867 38.9249 176.9238 91 R 3.9001 8.1270 120.0456 59.0779 30.0836 178.2460 92 L 3.8852 8.2815 120.8311 58.1389 42.1202 178.9951 93 R 3.8525 8.2647 119.0894 59.3443 30.0106 178.3506 94 E 4.0035 8.4078 118.7131 59.2466 29.2562 179.1624 95 R 3.8911 8.1823 118.9607 59.3262 29.8870 178.8001 96 V 3.6953 7.7270 117.0626 65.9618 31.7456 177.6779 97 S 4.4981 8.4631 112.1173 60.5815 62.4575 175.4222 98 G 4.0699 7.6746 108.8816 45.3446 0.0000 172.9281 99 S 4.0037 8.4150 111.2493 58.8030 61.0063 172.5515 100 T 3.4167 7.9075 113.0547 64.3471 66.3928 172.5268 101 A 4.2897 7.9019 123.2434 51.7451 18.9284 179.0369 102 Q 4.1647 8.4484 117.3712 58.2105 29.2100 176.2082 103 S 4.5967 7.5739 111.1513 57.0510 65.5029 173.2428 104 A 4.2107 8.2397 126.7729 52.5636 19.0118 176.1075 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 S 8.33 4.49 0.00 3.88 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 2 V 7.82 4.40 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 0.70 0.00 0.00 0.93 0.00 0.00 3 S 8.29 4.32 0.00 3.86 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 4 I 7.95 4.01 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.91 0.00 0.00 5 L 8.14 4.12 0.00 1.66 1.64 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.08 4.38 0.00 1.69 1.80 0.00 3.29 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 7 S 8.37 4.35 0.00 3.91 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 8 S 8.33 4.58 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.94 4.51 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 0.77 0.00 0.00 0.95 0.00 0.00 10 N 8.19 4.64 0.00 2.77 2.82 0.00 0.00 8.11 7.89 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 11 H 8.22 4.08 0.00 3.23 3.36 0.00 5.67 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 12 R 8.20 3.93 0.00 1.96 2.07 0.00 3.27 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 1.64 1.72 0.00 13 E 8.10 4.03 0.00 2.22 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 2.40 2.37 0.00 14 V 8.08 3.65 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 1.11 0.00 0.00 0.95 0.00 0.00 15 D 8.43 4.34 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 3.92 0.00 2.10 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 2.31 2.34 0.00 17 A 8.23 3.99 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 18 I 8.15 3.84 2.14 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 1.66 0.89 1.13 0.00 0.00 19 D 8.47 4.36 0.00 2.96 2.77 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 20 N 8.55 4.37 0.00 2.96 2.91 0.00 0.00 7.19 8.48 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 21 I 7.88 3.68 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 -0.12 0.00 0.00 22 L 7.94 3.98 0.00 1.81 1.93 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.09 3.89 0.00 1.90 2.20 0.00 3.11 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 24 Y 8.18 4.20 0.00 2.94 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 25 T 7.98 3.91 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 26 N 7.56 4.06 0.00 2.88 2.79 0.00 0.00 6.84 7.49 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 27 S 8.11 4.85 0.00 4.11 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.47 4.52 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 29 E 8.64 4.14 0.00 2.25 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 0.00 2.40 2.38 0.00 30 Q 8.07 3.99 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 31 Q 8.19 4.03 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 32 F 8.60 4.51 0.00 3.03 3.17 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 33 L 8.34 3.73 0.00 1.70 1.84 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.47 3.94 0.00 2.21 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 2.33 2.46 0.00 35 A 8.32 4.05 1.56 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 36 M 8.38 4.03 0.00 1.88 2.10 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.57 0.00 37 E 8.22 3.88 0.00 2.04 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 2.31 2.35 0.00 38 S 8.23 4.29 0.00 4.01 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 39 T 7.62 4.53 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 40 G 8.28 3.72 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 0.00 41 G 8.43 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 42 R 7.63 4.16 0.00 1.86 1.95 0.00 3.34 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 43 V 8.50 3.79 2.17 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 1.37 0.00 0.00 1.05 0.00 0.00 44 R 8.03 3.96 0.00 2.11 2.21 0.00 3.04 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 45 I 7.79 3.82 1.91 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 1.60 0.72 0.94 0.00 0.00 46 A 8.43 4.08 1.58 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 0.00 0.00 47 I 8.27 3.64 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.86 0.82 0.00 0.00 48 A 8.14 3.99 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 49 K 8.18 3.94 0.00 1.76 1.91 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.61 7.81 50 L 8.04 4.11 0.00 1.79 1.87 0.95 1.07 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 51 L 8.05 4.10 0.00 1.89 1.60 0.75 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.01 4.69 0.00 3.93 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.50 4.19 0.00 1.95 2.10 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.44 7.81 54 Q 7.17 4.50 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 55 T 8.08 4.76 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 1.25 0.00 0.00 56 S 8.62 4.04 0.00 3.88 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 57 G 8.11 3.82 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 0.00 0.00 0.00 58 G 7.70 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 59 S 8.79 4.20 0.00 3.87 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 60 G 7.28 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 61 G 8.37 3.81 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 0.00 0.00 0.00 62 S 8.18 4.41 0.00 3.99 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 63 K 8.35 4.15 0.00 1.72 1.75 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.52 7.81 64 L 8.29 4.82 0.00 1.61 1.49 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.80 3.94 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 0.00 0.00 0.00 67 S 8.53 4.31 0.00 3.87 3.81 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 68 G 8.53 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 69 G 7.58 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 0.00 0.00 0.00 70 S 8.52 4.50 0.00 3.99 3.91 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 0.00 0.00 0.00 71 R 8.49 3.98 0.00 1.82 2.04 0.00 3.36 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 72 K 7.24 3.85 0.00 1.86 1.92 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.40 7.81 73 D 8.23 4.34 0.00 2.64 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.81 3.66 0.00 1.83 1.69 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.31 4.33 0.00 3.86 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 76 V 8.21 3.82 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 0.81 0.00 0.00 0.93 0.00 0.00 77 K 8.01 4.19 0.00 1.77 1.78 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 78 G 7.54 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 79 M 8.34 4.82 0.00 1.91 1.88 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 2.62 0.00 80 L 8.34 4.46 0.00 1.69 1.61 0.94 0.76 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 81 Y 7.96 4.81 0.00 2.83 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 82 D 6.79 4.29 0.00 2.22 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 0.00 0.00 0.00 83 S 8.54 4.35 0.00 3.89 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 84 D 8.84 4.50 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 85 S 8.09 4.12 0.00 4.27 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 0.00 86 Q 8.00 3.96 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 87 Q 7.95 3.97 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 88 I 7.97 3.71 1.91 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 1.50 0.60 1.00 0.00 0.00 89 L 8.11 3.80 0.00 1.75 1.79 0.80 0.77 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 90 N 8.38 4.23 0.00 2.80 2.99 0.00 0.00 6.86 8.74 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 91 R 8.13 3.90 0.00 2.05 1.94 0.00 3.24 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 92 L 8.28 3.89 0.00 1.67 1.69 0.93 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.26 3.85 0.00 1.90 1.89 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 94 E 8.41 4.00 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 95 R 8.18 3.89 0.00 1.95 2.14 0.00 3.29 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 96 V 7.73 3.70 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 0.80 0.00 0.00 1.00 0.00 0.00 97 S 8.46 4.50 0.00 3.88 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.67 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 0.00 0.00 0.00 99 S 8.41 4.00 0.00 4.05 3.94 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 0.00 100 T 7.91 3.42 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 1.20 0.00 0.00 101 A 7.90 4.29 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 0.00 102 Q 8.45 4.16 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 103 S 7.57 4.60 0.00 3.79 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 0.00 104 A 8.24 4.21 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