NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4489 8.3349 115.4132 57.8565 64.4961 173.9762 2 K 4.0060 7.9747 119.1323 57.6321 32.7919 176.0917 3 T 4.2980 8.4064 117.4755 64.6564 70.7186 175.3243 4 N 4.5146 7.9177 120.5542 52.7905 40.1889 173.8497 5 P 4.3057 0.0000 0.0000 65.5049 31.5624 179.1117 6 R 3.9404 8.4841 117.3089 59.0691 30.1662 178.7222 7 L 4.0317 8.0476 119.6949 58.1408 41.8753 178.8208 8 S 4.1447 7.8578 113.1842 61.0786 62.1674 176.4091 9 S 4.1319 7.7677 117.9901 61.3439 62.8086 175.8972 10 L 3.7849 8.1881 123.4621 58.6846 41.4372 179.2905 11 I 3.7835 7.4672 117.5565 64.0471 37.2510 178.0803 12 A 4.1112 7.6168 121.5117 55.3287 18.3001 179.2013 13 D 4.2784 8.7860 118.0612 57.7509 40.5211 179.3071 14 L 3.9378 8.4037 119.2475 57.2424 41.4234 179.6108 15 K 4.1273 8.0638 118.5963 58.8008 32.3493 178.8459 16 S 4.0754 8.0581 112.7210 61.3611 62.2362 175.9235 17 A 4.0064 8.0044 123.0294 55.3316 17.9638 179.5414 18 A 4.7781 7.5423 118.5703 54.9583 18.5326 179.6977 19 R 4.1137 8.4009 115.9114 58.3987 30.3262 178.3091 20 S 4.6429 8.2234 113.3945 57.9035 64.0700 173.8949 21 S 4.8478 7.9112 116.5426 56.1425 65.9616 174.5559 22 G 3.9273 8.4757 110.0672 45.8072 0.0000 174.4936 23 G 3.9024 7.9002 107.1688 42.5140 0.0000 172.9639 24 A 4.6186 8.2152 124.6682 52.0540 19.8936 178.8617 25 V 3.4635 7.1031 111.3030 63.9845 31.7683 177.9975 26 W 5.2263 7.7044 118.3707 60.4191 28.9191 178.7189 27 G 3.6836 8.2105 104.5843 47.4709 0.0000 175.1770 28 D 4.3776 7.7997 120.5499 57.1547 41.2503 178.5066 29 V 3.6411 9.0707 119.8253 65.7225 31.4301 177.8650 30 A 4.0245 8.4792 121.0270 55.3136 18.0248 179.4266 31 E 3.9416 8.0341 115.9509 59.5893 29.7874 179.3250 32 R 4.0731 7.7625 118.9036 59.2135 29.9823 178.3478 33 L 3.9115 7.8771 117.4393 56.9007 41.6594 178.5526 34 E 4.2404 7.8016 117.5434 57.2240 29.7765 177.2039 35 K 4.2933 7.1817 118.0139 54.8894 33.0168 174.9342 36 P 4.2983 0.0000 0.0000 63.0019 32.0043 177.8891 37 R 3.4449 8.6451 120.3785 59.2477 30.1186 179.1867 38 R 4.0043 7.8996 112.9723 58.4274 29.5680 177.1188 39 T 4.3554 7.7463 107.6480 61.8111 69.3333 174.7526 40 H 4.5038 7.8627 119.6402 55.3733 29.5973 174.9473 41 A 4.1362 8.3624 124.3203 52.4874 19.4294 176.8324 42 E 4.8275 8.7223 120.4773 54.3339 31.0452 174.3822 43 V 4.5016 8.4521 116.4074 59.3902 35.0659 175.0495 44 N 5.7504 8.4359 121.0929 51.4691 40.5955 176.2174 45 L 4.1255 8.6589 120.0825 58.0169 41.7832 179.8855 46 G 3.7372 7.9513 105.3835 47.8298 0.0000 175.3427 47 R 4.0588 7.8907 119.8035 58.5389 30.0587 178.6852 48 I 3.8216 7.6206 119.5236 64.3603 37.1090 177.5298 49 E 3.8584 8.0024 118.7706 59.3138 29.3928 178.4044 50 R 4.0074 7.3027 116.2643 57.7206 30.2620 176.1885 51 Y 4.8921 7.3820 111.3972 57.3215 39.5164 175.1633 52 A 4.7529 8.1417 123.5128 50.8041 21.0777 176.5754 53 Q 4.6144 8.0609 115.9180 54.0521 31.7247 174.6342 54 E 4.0961 8.7298 119.5307 58.1430 29.9902 176.3614 55 D 4.3948 8.8418 118.8321 55.1553 38.3241 173.7904 56 E 4.6311 7.7152 118.6360 54.2574 31.6063 174.7423 57 T 4.0865 8.3517 123.8051 64.2858 69.8647 173.4332 58 V 4.3909 8.8777 127.2517 62.2167 33.1777 174.6527 59 V 4.7974 9.4419 129.0980 61.1444 33.6746 174.1640 60 V 4.7412 9.2535 128.8064 59.1266 33.3099 174.3427 61 P 4.9169 0.0000 0.0000 59.8900 30.9369 175.3694 62 G 4.2409 6.3362 115.8298 47.0451 0.0000 170.3384 63 K 4.9758 8.5818 125.4237 54.5135 35.6711 174.9377 64 V 4.7017 8.4093 126.1797 61.3608 33.6254 174.5929 65 L 4.9632 9.4686 128.2662 52.5476 44.9697 176.8427 66 G 3.8450 8.5516 107.2013 46.9973 0.0000 173.7343 67 S 4.4000 8.1711 117.8616 59.1699 64.2032 175.2501 68 G 4.1682 9.0278 109.9067 44.9998 0.0000 172.1038 69 V 4.2991 7.8924 117.4154 60.6031 33.3129 174.2490 70 L 4.7087 8.4835 128.2745 53.4646 43.8525 175.2881 71 Q 4.4933 9.0228 124.7744 56.8980 30.8430 176.8739 72 K 3.9715 8.2135 115.5208 56.9693 33.2253 176.9113 73 D 4.9623 8.5113 122.1402 52.4286 39.9276 175.2178 74 V 4.5622 7.2730 115.6779 59.9265 35.7504 175.7561 75 T 4.8994 8.3249 118.7120 62.1830 70.6576 173.6478 76 V 4.7919 8.9782 127.3379 61.1436 34.0110 174.0529 77 A 5.9400 9.8900 130.0295 49.6443 20.8931 175.1386 78 A 4.9549 8.3870 122.7046 49.2097 22.6314 176.9060 79 V 3.6216 8.3085 119.4915 66.0672 32.1975 175.8667 80 D 4.5680 7.0811 116.1892 53.4123 44.2293 174.5372 81 F 5.4762 8.9694 121.7962 55.4149 42.8754 175.0268 82 S 4.4003 9.0656 116.7751 58.0090 64.3741 175.7148 83 G 3.6117 8.8854 106.6056 48.4660 0.0000 175.8841 84 T 3.8864 8.0016 118.2638 66.1574 68.4765 175.9609 85 A 4.0103 7.9873 122.3784 55.4851 18.4903 179.2228 86 E 3.7219 8.4587 117.0615 59.5640 29.6310 179.2275 87 T 3.9050 7.6368 115.7406 66.2951 68.3362 176.6371 88 K 4.1960 8.2532 121.6365 59.1126 32.0607 179.4032 89 I 3.6763 7.8838 119.6839 64.5400 36.9704 177.9536 90 D 4.2294 7.6534 118.2974 58.0667 40.7182 178.8497 91 Q 4.0451 8.0380 118.2460 58.9105 28.6263 178.8041 92 V 4.0568 7.7896 112.5005 61.9034 32.1881 175.6566 93 G 4.3581 9.2336 107.6107 44.5301 0.0000 175.5532 94 E 4.9585 9.4062 126.0867 54.6688 33.3379 171.9480 95 A 4.9779 8.7762 129.1059 50.3981 20.5421 176.3978 96 V 4.7103 9.1075 122.4901 60.9442 35.6844 175.1636 97 S 5.0872 8.6320 120.1025 57.6004 64.3593 175.2827 98 L 4.0042 8.0416 120.7929 57.6020 40.9522 179.8560 99 E 3.8868 7.9567 117.9358 59.1730 29.6883 178.7829 100 Q 4.0312 7.9533 117.5739 58.7990 28.9085 178.0061 101 A 4.0165 7.9355 121.6284 55.8450 18.2991 179.5776 102 I 2.9948 7.3655 117.5455 64.4358 36.8439 178.0677 103 E 3.9546 8.2057 119.1615 58.0600 29.6277 177.2966 104 N 4.8243 7.8352 114.0819 52.9425 39.9868 174.9808 105 N 5.0121 7.9334 118.8666 51.0278 40.0708 173.5043 106 P 4.5395 0.0000 0.0000 66.2946 31.2638 177.2871 107 E 4.2043 8.5682 116.0184 56.1858 30.2692 176.0541 108 G 3.6415 9.0191 108.4268 46.2348 0.0000 172.8528 109 S 4.5164 8.5247 112.4960 57.4910 66.2586 174.5267 110 H 4.0277 8.3696 116.2910 56.5680 25.6588 174.1845 111 V 4.7384 7.1224 116.4575 59.9889 35.1114 175.9946 112 R 4.5771 9.2789 124.1160 54.4989 32.5128 174.6025 113 V 4.5807 8.3684 126.4917 62.5037 32.6930 175.0586 114 I 4.8765 8.8090 127.9931 59.5383 41.3636 175.9198 115 R 4.1752 8.4029 121.0473 56.6350 29.2030 174.7349 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 4.45 0.00 3.99 4.02 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 2 K 7.97 4.01 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.41 4.30 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 4 N 7.92 4.51 0.00 2.76 2.69 0.00 0.00 7.26 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 5 P 0.00 4.31 0.00 2.19 2.07 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 6 R 8.48 3.94 0.00 1.93 1.96 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 7 L 8.05 4.03 0.00 1.75 1.67 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.86 4.14 0.00 4.09 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 9 S 7.77 4.13 0.00 3.97 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 10 L 8.19 3.78 0.00 1.67 1.82 0.87 1.05 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 11 I 7.47 3.78 2.01 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 1.45 0.83 0.92 0.00 0.00 12 A 7.62 4.11 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 13 D 8.79 4.28 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 3.94 0.00 1.86 1.90 0.92 0.81 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 15 K 8.06 4.13 0.00 1.98 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 16 S 8.06 4.08 0.00 3.88 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 17 A 8.00 4.01 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 18 A 7.54 4.78 1.52 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 19 R 8.40 4.11 0.00 1.83 2.02 0.00 3.16 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 20 S 8.22 4.64 0.00 3.93 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 21 S 7.91 4.85 0.00 4.15 3.83 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 22 G 8.48 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 23 G 7.90 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 24 A 8.22 4.62 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 V 7.10 3.46 1.64 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 0.63 0.00 0.00 -0.27 0.00 0.00 26 W 7.70 5.23 0.00 3.36 3.24 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 0.00 27 G 8.21 3.68 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 0.00 0.00 0.00 28 D 7.80 4.38 0.00 2.99 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 29 V 9.07 3.64 2.44 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 1.03 0.00 0.00 1.13 0.00 0.00 30 A 8.48 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 31 E 8.03 3.94 0.00 2.14 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 2.36 2.46 0.00 32 R 7.76 4.07 0.00 1.87 2.04 0.00 3.36 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.88 3.91 0.00 1.65 1.68 0.88 0.58 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 34 E 7.80 4.24 0.00 2.09 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 2.35 2.48 0.00 35 K 7.18 4.29 0.00 2.03 1.77 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.62 7.81 36 P 0.00 4.30 0.00 2.15 1.97 0.00 3.62 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 2.12 2.13 0.00 37 R 8.65 3.44 0.00 1.79 1.91 0.00 3.10 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 38 R 7.90 4.00 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.75 4.36 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 40 H 7.86 4.50 0.00 3.27 3.24 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.36 4.14 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 42 E 8.72 4.83 0.00 1.81 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 2.20 2.49 0.00 43 V 8.45 4.50 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 0.84 0.00 0.00 0.93 0.00 0.00 44 N 8.44 5.75 0.00 2.65 3.01 0.00 0.00 7.62 6.74 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 45 L 8.66 4.13 0.00 1.82 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.95 3.74 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 0.00 0.00 0.00 47 R 7.89 4.06 0.00 1.91 1.96 0.00 3.22 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 48 I 7.62 3.82 2.01 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 1.58 0.52 0.96 0.00 0.00 49 E 8.00 3.86 0.00 1.93 2.20 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 2.45 2.32 0.00 50 R 7.30 4.01 0.00 1.62 1.30 0.00 2.24 0.00 0.00 2.90 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.32 0.00 51 Y 7.38 4.89 0.00 3.04 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 52 A 8.14 4.75 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 53 Q 8.06 4.61 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 54 E 8.73 4.10 0.00 1.99 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 2.50 2.36 0.00 55 D 8.84 4.39 0.00 2.82 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 56 E 7.72 4.63 0.00 1.99 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 2.23 2.29 0.00 57 T 8.35 4.09 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 1.34 0.00 0.00 58 V 8.88 4.39 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 0.96 0.00 0.00 1.03 0.00 0.00 59 V 9.44 4.80 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 1.14 0.00 0.00 1.16 0.00 0.00 60 V 9.25 4.74 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 0.93 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.92 0.00 2.23 2.21 0.00 4.04 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 2.06 1.96 0.00 62 G 6.34 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 0.00 0.00 0.00 0.00 63 K 8.58 4.98 0.00 1.73 1.58 0.00 1.60 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.38 7.81 64 V 8.41 4.70 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 1.13 0.00 0.00 0.80 0.00 0.00 65 L 9.47 4.96 0.00 1.70 1.54 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.55 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 0.00 0.00 0.00 67 S 8.17 4.40 0.00 4.03 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 68 G 9.03 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 0.00 0.00 0.00 69 V 7.89 4.30 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 0.83 0.00 0.00 0.93 0.00 0.00 70 L 8.48 4.71 0.00 1.60 1.52 1.00 0.75 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 71 Q 9.02 4.49 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.21 3.97 0.00 1.75 1.77 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.87 7.81 73 D 8.51 4.96 0.00 2.75 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 74 V 7.27 4.56 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 0.84 0.00 0.00 0.96 0.00 0.00 75 T 8.32 4.90 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 1.27 0.00 0.00 76 V 8.98 4.79 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 1.03 0.00 0.00 1.02 0.00 0.00 77 A 9.89 5.94 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 78 A 8.39 4.95 0.42 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 79 V 8.31 3.62 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 0.89 0.00 0.00 80 D 7.08 4.57 0.00 2.75 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 0.00 0.00 0.00 81 F 8.97 5.48 0.00 2.85 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 82 S 9.07 4.40 0.00 3.93 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 83 G 8.89 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 84 T 8.00 3.89 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 85 A 7.99 4.01 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.72 0.00 1.92 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 2.16 2.02 0.00 87 T 7.64 3.91 4.43 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 1.20 0.00 0.00 88 K 8.25 4.20 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.55 7.81 89 I 7.88 3.68 1.82 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.03 0.91 0.00 0.00 90 D 7.65 4.23 0.00 2.81 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 91 Q 8.04 4.05 0.00 2.28 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 92 V 7.79 4.06 2.22 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 0.88 0.00 0.00 1.02 0.00 0.00 93 G 9.23 4.36 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 0.00 94 E 9.41 4.96 0.00 2.03 1.74 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 2.20 2.22 0.00 95 A 8.78 4.98 0.63 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 96 V 9.11 4.71 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 1.11 0.00 0.00 0.96 0.00 0.00 97 S 8.63 5.09 0.00 4.25 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 98 L 8.04 4.00 0.00 1.73 1.60 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.96 3.89 0.00 1.88 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 2.27 2.38 0.00 100 Q 7.95 4.03 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 7.94 4.02 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 0.00 102 I 7.37 2.99 1.52 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.10 0.59 0.00 0.00 103 E 8.21 3.95 0.00 2.01 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 2.30 2.32 0.00 104 N 7.84 4.82 0.00 2.78 2.87 0.00 0.00 6.72 7.45 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 0.00 105 N 7.93 5.01 0.00 3.03 3.08 0.00 0.00 6.84 7.59 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 0.00 106 P 0.00 4.54 0.00 2.30 2.26 0.00 3.90 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 107 E 8.57 4.20 0.00 2.13 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 2.42 2.47 0.00 108 G 9.02 3.64 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 0.00 0.00 0.00 109 S 8.52 4.52 0.00 3.86 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 0.00 110 H 8.37 4.03 0.00 3.32 3.32 0.00 5.58 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.12 4.74 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 0.44 0.00 0.00 0.94 0.00 0.00 112 R 9.28 4.58 0.00 2.12 1.81 0.00 3.13 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 113 V 8.37 4.58 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 0.83 0.00 0.00 0.90 0.00 0.00 114 I 8.81 4.88 1.92 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 1.33 1.46 1.00 0.00 0.00 115 R 8.40 4.18 0.00 1.86 1.83 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00