NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4851 8.2893 120.3508 55.5329 33.4336 174.4383 2 E 4.7532 8.3419 121.9090 54.7847 32.6389 172.4619 3 A 4.5210 9.2858 125.1328 50.4332 21.5640 177.1674 4 K 4.8657 8.5679 122.2666 55.2590 34.8803 176.6023 5 A 4.3428 9.2208 125.9286 50.8029 20.4386 177.7406 6 I 3.4064 9.5549 128.8273 62.5700 34.7948 172.9411 7 A 4.5897 9.0235 130.4733 49.7698 18.5705 175.7564 8 R 4.0400 8.0815 119.4923 57.0156 31.5029 176.1551 9 Y 3.7958 8.9843 115.1748 59.2845 36.6828 171.4610 10 V 3.4214 8.9243 120.9400 63.2166 31.1155 175.2558 11 R 3.7886 8.1160 116.3865 54.2044 28.9620 171.9242 12 I 4.1536 7.0763 117.3045 59.7940 42.1636 173.0397 13 S 4.4091 8.3871 120.8236 57.5809 62.9065 172.4394 14 P 4.3811 0.0000 0.0000 65.3232 31.1681 178.2942 15 R 3.8690 8.0703 115.7067 59.0901 29.7387 178.0321 16 K 4.1854 8.5459 118.4741 59.1116 32.4372 178.7838 17 V 3.7061 7.9336 117.8304 66.5991 31.3918 177.9588 18 R 3.8961 8.2090 117.7048 59.7505 29.7238 178.6855 19 L 3.9154 7.2380 117.0607 58.0098 41.8633 179.6628 20 V 3.9510 8.2892 112.0916 63.7583 32.0794 178.4682 21 V 3.6141 7.8956 117.4938 66.4094 30.8336 177.6366 22 D 4.3851 8.7340 118.8005 57.2163 40.4520 178.3768 23 L 4.0933 8.1240 120.4063 56.9765 42.0196 177.3967 24 I 4.4798 7.0745 108.8511 59.9909 38.2955 175.4998 25 R 3.7844 7.7420 121.8815 57.8142 30.3472 176.1722 26 G 4.2665 8.4275 112.9496 45.4167 0.0000 171.8298 27 K 4.6054 7.4707 120.4091 53.9468 36.8288 175.7272 28 S 4.5571 8.5895 117.4800 58.8542 64.0887 175.5463 29 L 4.0508 8.6933 127.9103 58.1373 41.6945 178.6547 30 E 4.1193 8.0802 118.2834 58.3424 29.9461 177.5020 31 E 3.9106 8.2743 119.2713 59.0816 29.6531 178.6951 32 A 3.9434 8.5605 121.0828 55.2950 18.4999 179.4806 33 R 3.8345 7.9087 116.4370 59.8004 29.9803 179.0058 34 N 4.3448 8.1970 114.8325 57.0811 38.7591 176.7310 35 I 3.7308 8.2452 121.4829 63.0663 36.9689 178.1828 36 L 3.8643 8.2583 119.6399 58.2196 41.7068 179.6046 37 R 3.7444 7.7021 117.4308 59.4131 29.8929 177.5234 38 Y 5.0908 7.7515 113.0616 57.0527 38.8143 175.6061 39 T 4.3725 7.5103 118.1470 61.9450 68.6194 175.3482 40 N 4.6489 8.5572 126.3388 53.0513 37.0628 173.5532 41 K 4.4670 7.6838 119.7979 54.8081 35.6605 176.8173 42 R 3.8829 8.5819 122.4160 59.2075 30.5272 179.0520 43 G 3.8574 8.2561 104.3456 47.9372 0.0000 174.3576 44 A 3.8887 8.0480 121.6884 55.5834 18.3297 179.0739 45 Y 3.8688 7.5800 115.1772 60.4491 39.2005 179.1739 46 F 4.4066 7.2798 115.2069 60.6914 39.0627 178.2171 47 V 3.6230 8.0019 116.0947 66.1231 31.4660 177.0843 48 A 4.0188 8.5799 121.9781 53.7937 18.1645 178.9913 49 K 3.6852 8.0022 116.1583 59.6689 32.4105 179.5958 50 V 3.6780 8.1373 119.2830 64.5034 31.3249 178.0221 51 L 3.8185 8.2749 121.6153 57.8038 41.9299 178.1098 52 E 3.8376 8.1641 118.6846 59.6318 29.2142 178.8430 53 S 4.0282 7.7591 111.0602 61.4643 62.7610 175.7216 54 A 4.0932 7.9363 123.1755 54.9293 18.1079 179.4195 55 A 3.9487 8.5641 119.4600 55.2383 18.2781 179.2752 56 A 4.1840 7.9460 114.7589 53.0986 18.2517 177.4014 57 N 4.7158 8.0130 117.5397 55.2710 40.7140 177.0084 58 A 3.9856 8.0826 119.4744 55.2750 18.5705 179.5014 59 V 3.5982 7.8203 116.2904 65.7642 31.6619 177.3111 60 N 4.4698 8.4808 116.7784 55.3623 38.3193 175.4489 61 N 4.3035 8.9492 122.3050 56.1312 39.6881 175.4732 62 H 4.6651 7.9783 112.7241 54.8732 30.3241 174.2855 63 D 4.7813 7.3761 112.3030 54.4769 37.4701 173.0099 64 M 4.7591 8.1716 125.3995 53.2306 34.6880 173.2180 65 L 3.7136 8.0920 123.8246 54.5273 40.8122 173.6226 66 E 3.8868 8.8366 127.8664 59.5344 29.5129 178.5497 67 D 4.6103 8.0565 116.2115 56.0479 41.3785 176.6788 68 R 4.6149 8.2984 117.4610 55.6601 31.9985 175.3951 69 L 5.0615 7.6812 120.0041 54.6886 43.0689 175.6384 70 Y 5.2720 8.9095 120.2554 55.3996 42.6073 174.7730 71 V 4.0227 8.4176 120.5852 62.4429 30.6374 176.2139 72 K 3.3468 8.2964 129.8162 58.8284 32.9413 176.3737 73 A 4.3603 7.3540 117.8071 51.5868 22.1415 175.0034 74 A 4.4616 7.9563 118.7303 51.5392 22.1288 175.1919 75 Y 4.8389 7.7814 115.8776 56.4178 41.9236 173.4565 76 V 4.9991 8.5114 119.5052 60.3715 33.8986 174.8801 77 D 4.8020 8.5556 125.4907 52.8290 43.2922 175.0619 78 E 4.5799 8.5954 121.4386 55.6815 30.6975 175.9597 79 G 3.9356 8.7650 115.0020 43.2469 0.0000 171.2747 80 P 4.1894 0.0000 0.0000 62.7417 31.3397 176.1434 81 A 4.1125 8.3031 123.4510 52.0326 19.8444 177.0029 82 L 4.4995 8.5406 121.5797 52.6518 43.0662 174.2681 83 K 4.6089 8.4072 123.1673 56.3433 32.7225 176.3525 84 R 4.7386 9.0102 123.7175 54.3081 34.5222 174.5447 85 V 4.5645 8.3270 121.2246 61.6210 33.4325 175.0265 86 L 4.7497 9.3274 130.3356 52.2707 44.3746 173.5892 87 P 4.5819 0.0000 0.0000 63.1990 31.9292 175.9212 88 R 4.8308 8.4163 122.3751 53.8182 33.3429 175.2198 89 A 4.0952 8.4307 121.6684 53.6056 19.0083 177.5352 90 R 3.5746 8.8857 117.4619 58.0640 27.3057 176.4821 91 G 4.0987 8.3311 100.3967 46.6028 0.0000 175.9788 92 R 3.7412 7.8998 119.4020 57.5724 30.2077 175.8275 93 A 3.6730 8.0196 121.5030 52.8375 16.3994 175.4498 94 D 5.1475 8.9939 120.9023 53.1807 44.7699 175.4711 95 I 4.9444 8.1089 112.9234 59.3365 39.3581 175.1331 96 I 4.2279 8.9112 127.9413 59.8736 40.0331 174.7029 97 K 4.6296 8.3937 126.5375 54.5331 33.6570 176.5969 98 K 4.2200 8.7761 126.6484 55.7657 31.1368 177.5392 99 R 4.6013 8.3488 124.8555 56.2133 32.0687 175.3291 100 T 4.8207 8.1027 113.0312 60.9358 70.9515 172.6384 101 S 5.1250 8.1975 122.7490 57.2130 66.3517 172.9546 102 H 5.5124 8.5911 117.4244 52.7462 28.9665 172.1303 103 I 4.0286 7.8832 121.5362 61.6276 38.8109 175.3821 104 T 5.0894 9.0509 122.9690 61.8206 72.3125 173.2479 105 V 4.7219 8.1744 123.8354 61.2932 36.0094 173.9673 106 I 5.0120 8.2217 117.9758 59.6923 41.0438 173.6288 107 L 5.6418 8.5472 126.2831 52.4096 45.0876 175.5918 108 G 4.5258 8.3409 107.2319 45.0246 0.0000 170.5814 109 E 4.9673 8.6489 118.2340 54.8616 31.5810 175.8298 110 K 3.8427 8.5216 125.4112 57.6527 32.9719 177.3907 111 H 3.7940 8.4899 121.0082 56.7715 30.9257 173.4454 112 G 4.0775 8.1890 113.3511 46.4730 0.0000 173.3013 113 K 4.2090 8.7712 126.7382 54.3622 32.6792 174.6794 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 4.49 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 E 8.34 4.75 0.00 2.14 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 2.16 2.34 0.00 3 A 9.29 4.52 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 4 K 8.57 4.87 0.00 1.73 1.67 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.39 7.81 5 A 9.22 4.34 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 6 I 9.55 3.41 1.88 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 1.42 0.48 0.91 0.00 0.00 7 A 9.02 4.59 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 8 R 8.08 4.04 0.00 1.74 1.88 0.00 3.27 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 9 Y 8.98 3.80 0.00 2.84 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 10 V 8.92 3.42 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 0.16 0.00 0.00 0.95 0.00 0.00 11 R 8.12 3.79 0.00 1.83 1.97 0.00 3.48 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.28 0.00 12 I 7.08 4.15 1.97 0.00 0.00 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 1.26 1.04 0.89 0.00 0.00 13 S 8.39 4.41 0.00 3.90 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 14 P 0.00 4.38 0.00 2.20 2.11 0.00 3.94 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 2.13 0.00 15 R 8.07 3.87 0.00 1.80 2.00 0.00 3.23 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 16 K 8.55 4.19 0.00 2.08 1.86 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 17 V 7.93 3.71 2.25 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 1.18 0.00 0.00 1.05 0.00 0.00 18 R 8.21 3.90 0.00 1.91 2.01 0.00 3.24 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 19 L 7.24 3.92 0.00 1.87 1.78 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.29 3.95 2.10 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 0.81 0.00 0.00 0.99 0.00 0.00 21 V 7.90 3.61 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 1.09 0.00 0.00 0.97 0.00 0.00 22 D 8.73 4.39 0.00 2.93 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 23 L 8.12 4.09 0.00 1.72 1.70 0.94 0.90 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 24 I 7.07 4.48 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 0.91 0.00 0.00 25 R 7.74 3.78 0.00 1.77 1.86 0.00 3.40 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 26 G 8.43 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 0.00 0.00 0.00 0.00 27 K 7.47 4.61 0.00 1.84 1.68 0.00 1.83 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.37 7.81 28 S 8.59 4.56 0.00 4.13 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 29 L 8.69 4.05 0.00 1.89 1.83 0.91 0.58 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 30 E 8.08 4.12 0.00 2.08 1.92 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 2.34 2.36 0.00 31 E 8.27 3.91 0.00 2.10 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 0.00 2.33 2.35 0.00 32 A 8.56 3.94 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 33 R 7.91 3.83 0.00 2.00 1.98 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.03 0.00 34 N 8.20 4.34 0.00 2.97 2.94 0.00 0.00 7.12 8.30 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 35 I 8.25 3.73 2.03 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 1.84 0.93 0.93 0.00 0.00 36 L 8.26 3.86 0.00 1.67 1.70 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.70 3.74 0.00 1.73 1.97 0.00 2.97 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.60 0.00 38 Y 7.75 5.09 0.00 3.02 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 39 T 7.51 4.37 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 1.24 0.00 0.00 40 N 8.56 4.65 0.00 2.69 2.79 0.00 0.00 7.08 6.68 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 41 K 7.68 4.47 0.00 1.78 1.64 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.34 7.81 42 R 8.58 3.88 0.00 1.85 1.97 0.00 3.19 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 43 G 8.26 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 0.00 0.00 0.00 44 A 8.05 3.89 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 45 Y 7.58 3.87 0.00 2.83 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 46 F 7.28 4.41 0.00 3.24 3.06 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 47 V 8.00 3.62 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 0.81 0.00 0.00 1.00 0.00 0.00 48 A 8.58 4.02 1.24 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 49 K 8.00 3.69 0.00 1.58 1.90 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.41 1.39 7.81 50 V 8.14 3.68 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 0.76 0.00 0.00 0.94 0.00 0.00 51 L 8.27 3.82 0.00 1.98 1.66 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.16 3.84 0.00 2.05 1.92 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 2.35 2.44 0.00 53 S 7.76 4.03 0.00 3.91 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 54 A 7.94 4.09 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 55 A 8.56 3.95 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 56 A 7.95 4.18 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 57 N 8.01 4.72 0.00 3.04 2.86 0.00 0.00 6.88 6.93 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 58 A 8.08 3.99 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 59 V 7.82 3.60 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 0.99 0.00 0.00 0.93 0.00 0.00 60 N 8.48 4.47 0.00 3.06 2.56 0.00 0.00 7.05 6.71 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 61 N 8.95 4.30 0.00 2.73 2.74 0.00 0.00 6.62 8.16 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 62 H 7.98 4.67 0.00 3.11 3.26 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.38 4.78 0.00 2.81 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 64 M 8.17 4.76 0.00 2.08 2.11 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 2.70 2.49 0.00 65 L 8.09 3.71 0.00 1.87 1.83 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.84 3.89 0.00 2.04 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 2.39 2.37 0.00 67 D 8.06 4.61 0.00 2.71 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 68 R 8.30 4.61 0.00 1.68 1.82 0.00 3.08 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 69 L 7.68 5.06 0.00 1.82 1.64 0.93 0.75 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 70 Y 8.91 5.27 0.00 3.12 2.91 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 V 8.42 4.02 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 0.79 0.00 0.00 0.86 0.00 0.00 72 K 8.30 3.35 0.00 1.46 1.69 0.00 1.98 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.36 7.81 73 A 7.35 4.36 1.02 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 0.00 0.00 74 A 7.96 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.78 4.84 0.00 2.90 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 76 V 8.51 5.00 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 0.82 0.00 0.00 0.97 0.00 0.00 77 D 8.56 4.80 0.00 2.59 2.56 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 78 E 8.60 4.58 0.00 1.93 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 2.19 2.23 0.00 79 G 8.76 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 80 P 0.00 4.19 0.00 2.02 1.95 0.00 3.44 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 81 A 8.30 4.11 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 82 L 8.54 4.50 0.00 1.93 1.50 0.86 0.55 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 83 K 8.41 4.61 0.00 1.66 1.74 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.40 7.81 84 R 9.01 4.74 0.00 1.66 1.75 0.00 3.26 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 85 V 8.33 4.56 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 0.75 0.00 0.00 0.92 0.00 0.00 86 L 9.33 4.75 0.00 1.67 1.49 0.92 0.84 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 87 P 0.00 4.58 0.00 2.11 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 88 R 8.42 4.83 0.00 1.74 1.90 0.00 3.37 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 89 A 8.43 4.10 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 90 R 8.89 3.57 0.00 1.97 2.04 0.00 3.36 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 91 G 8.33 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 0.00 0.00 0.00 0.00 92 R 7.90 3.74 0.00 2.01 2.00 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 93 A 8.02 3.67 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 94 D 8.99 5.15 0.00 2.57 2.57 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 95 I 8.11 4.94 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.65 0.90 0.00 0.00 96 I 8.91 4.23 1.86 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 1.22 1.58 0.90 0.00 0.00 97 K 8.39 4.63 0.00 1.63 1.71 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 98 K 8.78 4.22 0.00 1.67 1.77 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.55 7.81 99 R 8.35 4.60 0.00 1.71 2.00 0.00 3.53 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 100 T 8.10 4.82 4.13 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 1.17 0.00 0.00 101 S 8.20 5.13 0.00 3.86 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 0.00 102 H 8.59 5.51 0.00 3.21 3.18 0.00 5.65 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 0.00 103 I 7.88 4.03 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.97 0.96 0.00 0.00 104 T 9.05 5.09 4.57 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 1.27 0.00 0.00 105 V 8.17 4.72 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 0.90 0.00 0.00 0.90 0.00 0.00 106 I 8.22 5.01 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 0.81 0.00 0.00 107 L 8.55 5.64 0.00 1.52 1.66 0.84 0.57 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 0.00 108 G 8.34 4.53 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 0.00 0.00 0.00 109 E 8.65 4.97 0.00 1.92 1.81 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 2.35 2.31 0.00 110 K 8.52 3.84 0.00 1.59 1.61 0.00 1.25 0.00 0.00 1.03 0.00 0.00 2.96 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.42 7.81 111 H 8.49 3.79 0.00 3.34 3.34 0.00 5.52 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 0.00 112 G 8.19 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.77 4.21 0.00 1.74 1.52 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 0.95 7.81