NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3006 8.2649 123.5829 51.6664 20.5631 176.0279 2 R 4.7078 7.5737 111.8715 54.1050 33.5282 168.6387 3 V 4.3354 9.2904 114.6068 64.9592 38.5025 175.8304 4 K 3.9984 8.1592 118.7238 56.7227 29.1456 173.9474 5 R 4.0331 7.0531 120.5544 57.1660 28.7285 175.6431 6 G 4.2674 7.9969 114.6504 45.6443 0.0000 172.5287 7 V 4.1533 7.0454 113.5340 63.0217 32.8977 177.7592 8 I 4.1617 7.7050 117.7097 61.7265 39.1243 177.0856 9 A 4.0029 8.0682 117.2713 55.3972 17.2570 180.4450 10 R 4.3053 9.5634 125.7221 58.7936 30.3975 177.1503 11 A 4.1469 7.2298 121.7498 55.1025 18.2616 179.0060 12 R 4.0549 8.2276 116.4601 58.5917 30.6017 177.6143 13 H 4.2373 7.8167 115.1530 57.7317 29.4823 176.9425 14 K 3.8945 8.8754 121.7261 60.7204 31.7747 179.3113 15 K 4.4408 6.9150 117.6747 58.4125 33.5046 176.5572 16 I 4.0614 7.4235 112.2061 62.9220 38.4102 177.1637 17 L 3.8022 8.1165 121.3375 58.1486 42.2791 178.4860 18 K 3.9674 8.5857 118.9965 60.0424 32.1264 178.4949 19 Q 4.3618 8.4159 118.0605 56.3342 29.6724 178.0356 20 A 4.2869 8.4059 124.3042 52.3191 19.3681 177.5881 21 K 3.4675 8.5989 115.6495 57.3691 30.3760 173.1412 22 G 3.6248 8.3170 109.5117 45.2229 0.0000 172.3438 23 Y 5.0331 8.1716 119.6038 57.0869 41.6852 175.4257 24 Y 4.8753 8.2439 118.6157 58.1257 42.9669 176.0784 25 G 3.6144 9.5515 120.4162 46.8468 0.0000 174.5571 26 A 4.3622 8.6050 131.2167 52.8936 20.1430 180.3949 27 R 3.8672 7.6430 115.9130 59.5368 30.0461 177.3686 28 S 4.7584 8.0312 110.7441 59.0925 63.1607 174.5048 29 R 4.6608 8.0674 117.2470 55.6559 33.0722 176.6951 30 V 3.6501 8.2066 116.5232 62.7279 30.9393 175.7701 31 Y 5.5808 7.9498 131.3301 58.3336 37.8270 171.6983 32 R 4.6915 7.7899 116.9943 55.6608 31.9385 175.6552 33 V 4.2867 7.7071 115.1592 63.9435 34.0381 177.1190 34 A 4.1213 8.2435 122.4752 55.1210 18.3965 179.1689 35 F 3.6634 8.4003 116.5814 60.7112 39.5477 175.1455 36 Q 4.6159 7.7602 117.2802 56.1987 29.0710 176.4817 37 A 4.6611 8.6526 122.8912 51.5178 17.8916 178.1435 38 V 4.5771 7.3085 109.5741 60.7553 34.5344 177.0589 39 I 3.9777 7.1508 121.8330 62.3670 38.5831 177.6075 40 K 4.1298 8.1979 119.4763 58.7254 33.0465 178.3424 41 A 3.7462 7.8683 115.8646 56.5298 17.9208 178.5915 42 G 3.7412 8.1944 106.4891 47.9000 0.0000 174.7712 43 Q 3.9467 9.0891 123.0580 56.5250 28.9278 177.8396 44 Y 4.1516 7.4004 116.2118 61.2387 40.2703 179.6996 45 A 3.7362 9.2733 121.6673 55.0939 19.3713 178.5689 46 Y 4.1737 7.5637 112.7987 62.1414 38.7116 176.4618 47 R 4.4004 8.3037 118.2869 56.9569 31.4990 177.2731 48 D 4.9565 8.4672 119.7057 55.9499 42.4080 178.5384 49 R 3.5460 7.7940 117.5302 59.0396 30.0914 177.1943 50 R 4.4807 7.9280 113.2453 56.2314 30.4460 176.2771 51 Q 4.6417 8.7293 117.2160 55.5845 28.9457 176.1891 52 R 4.3076 7.5932 118.4365 55.6190 31.6035 176.3767 53 K 3.9294 7.8703 117.4055 58.2143 31.7754 180.0633 54 R 3.5867 7.0370 115.8614 58.9501 31.2176 178.0558 55 Q 3.8225 7.4955 118.8197 59.0011 28.6662 178.8646 56 F 4.4091 8.2504 117.4874 58.9075 39.0155 177.8730 57 R 3.1337 7.2807 119.2976 58.8844 29.9301 177.8155 58 Q 3.9394 7.5955 116.6012 59.9367 28.5710 177.5608 59 L 3.7195 7.6009 121.6053 57.3142 41.7702 178.7776 60 W 4.6620 7.5105 118.2452 60.1622 29.0553 178.1904 61 I 3.9377 7.6830 109.1785 61.6017 36.7281 177.2296 62 A 3.9147 8.0983 124.7820 54.9780 18.9249 180.3087 63 R 3.7805 7.7884 115.9560 59.6162 29.9623 178.9236 64 I 3.8407 8.2978 119.8700 64.6597 37.0910 177.9904 65 N 4.5327 7.7085 116.9695 56.8385 38.6898 176.7021 66 A 4.0848 7.9521 120.5790 55.8988 18.6145 178.4918 67 A 3.7251 8.4890 119.3059 54.0906 17.9373 178.5883 68 A 3.9192 7.6486 120.8800 53.2623 19.2793 178.2503 69 R 5.4061 7.5630 116.0709 56.3889 31.6838 178.1233 70 Q 4.0272 8.3656 118.5977 57.1323 29.5276 174.8167 71 N 4.5542 7.7957 119.5955 52.8357 41.7802 176.8317 72 G 3.3569 9.7993 111.9292 45.1330 0.0000 177.2117 73 I 3.2284 8.6328 118.4511 62.4394 35.9823 173.2192 74 S 4.9115 8.0626 119.1323 56.2991 65.9807 174.4094 75 Y 4.6017 9.4947 122.6994 60.4992 38.3771 178.0242 76 S 4.3156 8.0665 115.2965 61.5805 63.7050 175.7605 77 K 4.0868 7.9460 120.3325 60.2282 32.0069 178.0460 78 F 4.2404 9.0781 119.0672 62.0201 38.9303 176.7974 79 I 3.0780 7.4275 118.2961 64.4432 37.2435 177.5799 80 N 4.2594 7.9014 117.4257 56.6131 38.5673 176.7556 81 G 3.7058 7.6583 105.4604 48.2194 0.0000 174.7891 82 L 3.9159 7.7569 121.2742 57.4621 41.3594 179.4742 83 K 3.8255 8.0308 118.0664 59.4167 32.2446 178.6637 84 K 4.3256 7.4308 114.5792 58.6812 33.2500 177.6399 85 A 4.3538 8.1592 127.6933 51.9772 19.0682 176.3133 86 S 4.2401 8.5064 109.7360 58.8961 62.3308 175.7418 87 V 3.8681 8.1316 118.4526 63.7368 28.8910 176.2445 88 E 4.7900 7.9425 130.4657 55.5558 31.4401 177.9740 89 I 4.3258 7.4979 130.0892 60.3302 36.3000 179.5937 90 D 4.3752 8.6776 126.4424 55.8843 41.1948 175.3983 91 R 4.4805 8.1282 119.1484 56.1119 31.4934 174.0896 92 K 4.4806 7.9189 117.0045 55.5060 35.4501 177.0108 93 I 2.2507 7.2954 110.9040 61.1680 37.4846 175.6096 94 L 4.0524 7.3810 120.8447 58.5609 40.0472 178.9721 95 A 4.2659 8.0049 121.6838 54.3383 18.4162 177.7211 96 D 4.9593 7.9808 115.8728 54.2694 41.6240 177.1611 97 I 4.1526 7.5917 121.0408 61.7307 39.3097 177.3964 98 A 4.2094 7.3468 121.5839 52.9333 18.1382 178.6342 99 V 3.5873 7.2755 116.0798 63.3521 31.3913 176.1140 100 F 4.7966 6.8050 116.7582 58.5617 41.1958 176.4030 101 D 4.7536 8.7521 122.3104 54.0903 38.2052 176.3927 102 K 3.6972 8.2132 116.5961 59.4734 32.6408 178.5780 103 V 3.5862 8.0049 113.2781 65.3394 32.2918 177.4172 104 A 4.1783 8.3613 119.1688 55.6424 17.9125 178.8603 105 F 3.9275 8.4201 116.9318 61.9240 39.5153 178.0950 106 T 3.9821 8.5259 115.0386 66.5861 68.1486 176.4868 107 A 4.0171 8.9407 124.1097 54.9462 18.4362 179.5460 108 L 3.8624 7.8323 117.5659 57.8365 41.4046 179.6375 109 V 3.5200 7.7787 118.4668 66.8808 31.1242 177.0878 110 E 4.1041 7.6235 115.8789 59.9058 29.3101 178.9138 111 K 3.9349 8.3191 120.3213 59.7905 32.6834 179.1839 112 A 4.1076 8.5731 121.1674 55.0316 18.3317 179.3891 113 K 3.8969 8.8095 116.8129 58.1681 31.5843 178.1434 114 A 4.2566 8.0245 123.5863 52.2795 17.5320 179.2631 115 A 4.0720 8.0039 126.6556 55.3447 19.0890 178.3885 116 L 4.5429 6.9150 112.9905 53.9427 43.8861 176.5950 117 A 4.1390 8.1300 121.2838 53.2005 18.8943 176.2063 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 A 8.26 4.30 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 2 R 7.57 4.71 0.00 1.85 1.87 0.00 3.22 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 3 V 9.29 4.34 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 0.97 0.00 0.00 0.94 0.00 0.00 4 K 8.16 4.00 0.00 1.99 2.08 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.49 7.81 5 R 7.05 4.03 0.00 1.88 2.08 0.00 3.19 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 6 G 8.00 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 7 V 7.05 4.15 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 0.92 0.00 0.00 0.98 0.00 0.00 8 I 7.71 4.16 1.89 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 1.36 0.87 0.92 0.00 0.00 9 A 8.07 4.00 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 10 R 9.56 4.31 0.00 1.93 2.09 0.00 3.20 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.83 0.00 11 A 7.23 4.15 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 12 R 8.23 4.05 0.00 1.88 2.11 0.00 3.27 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 13 H 7.82 4.24 0.00 3.20 3.20 0.00 5.72 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 14 K 8.88 3.89 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 15 K 6.92 4.44 0.00 1.90 1.80 0.00 1.72 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.46 7.81 16 I 7.42 4.06 1.70 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 1.48 0.93 0.58 0.00 0.00 17 L 8.12 3.80 0.00 1.72 1.93 1.06 0.77 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 18 K 8.59 3.97 0.00 1.99 1.76 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.55 7.81 19 Q 8.42 4.36 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 20 A 8.41 4.29 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 21 K 8.60 3.47 0.00 1.65 1.51 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 1.25 7.81 22 G 8.32 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 0.00 0.00 0.00 23 Y 8.17 5.03 0.00 2.96 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 24 Y 8.24 4.88 0.00 2.94 2.81 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 25 G 9.55 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 26 A 8.60 4.36 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 27 R 7.64 3.87 0.00 1.75 2.26 0.00 3.36 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 28 S 8.03 4.76 0.00 3.99 3.96 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 29 R 8.07 4.66 0.00 1.84 1.93 0.00 3.36 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 30 V 8.21 3.65 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 0.80 0.00 0.00 1.02 0.00 0.00 31 Y 7.95 5.58 0.00 2.96 3.10 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 32 R 7.79 4.69 0.00 1.93 1.95 0.00 3.29 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 33 V 7.71 4.29 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 0.98 0.00 0.00 0.97 0.00 0.00 34 A 8.24 4.12 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 35 F 8.40 3.66 0.00 3.17 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 36 Q 7.76 4.62 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 37 A 8.65 4.66 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 38 V 7.31 4.58 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 39 I 7.15 3.98 1.89 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 1.30 1.25 0.91 0.00 0.00 40 K 8.20 4.13 0.00 1.95 1.86 0.00 2.20 0.00 0.00 1.97 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.68 1.85 7.81 41 A 7.87 3.75 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 42 G 8.19 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 43 Q 9.09 3.95 0.00 1.90 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 44 Y 7.40 4.15 0.00 3.01 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 45 A 9.27 3.74 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 46 Y 7.56 4.17 0.00 3.17 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 47 R 8.30 4.40 0.00 1.79 1.87 0.00 3.19 0.00 0.00 2.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.25 0.00 48 D 8.47 4.96 0.00 2.97 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 49 R 7.79 3.55 0.00 2.16 2.05 0.00 3.38 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 50 R 7.93 4.48 0.00 1.80 1.95 0.00 3.37 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 51 Q 8.73 4.64 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 52 R 7.59 4.31 0.00 1.58 1.85 0.00 3.12 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.30 0.00 53 K 7.87 3.93 0.00 1.86 1.69 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.60 7.81 54 R 7.04 3.59 0.00 2.00 2.10 0.00 3.05 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 55 Q 7.50 3.82 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 56 F 8.25 4.41 0.00 2.63 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 0.00 0.00 0.00 0.00 57 R 7.28 3.13 0.00 1.72 1.80 0.00 3.28 0.00 0.00 3.44 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 58 Q 7.60 3.94 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 59 L 7.60 3.72 0.00 1.73 1.27 0.88 1.01 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 60 W 7.51 4.66 0.00 3.49 3.09 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 61 I 7.68 3.94 0.82 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 1.63 0.62 1.07 0.00 0.00 62 A 8.10 3.91 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 63 R 7.79 3.78 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 64 I 8.30 3.84 2.03 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 1.60 0.00 0.00 65 N 7.71 4.53 0.00 2.92 2.97 0.00 0.00 7.08 8.03 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 66 A 7.95 4.08 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 67 A 8.49 3.73 0.78 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 68 A 7.65 3.92 0.75 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 0.00 0.00 69 R 7.56 5.41 0.00 2.05 1.95 0.00 3.15 0.00 0.00 3.15 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 70 Q 8.37 4.03 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.29 0.00 71 N 7.80 4.55 0.00 2.69 2.75 0.00 0.00 7.09 7.98 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 72 G 9.80 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 0.00 0.00 0.00 73 I 8.63 3.23 2.17 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 1.40 0.39 0.81 0.00 0.00 74 S 8.06 4.91 0.00 3.91 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 75 Y 9.49 4.60 0.00 3.08 3.16 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 76 S 8.07 4.32 0.00 3.94 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 77 K 7.95 4.09 0.00 1.85 1.89 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.55 7.81 78 F 9.08 4.24 0.00 3.11 2.85 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 79 I 7.43 3.08 1.54 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 -0.19 0.65 0.00 0.00 80 N 7.90 4.26 0.00 2.77 3.00 0.00 0.00 7.01 7.51 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 81 G 7.66 3.71 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 0.00 0.00 0.00 82 L 7.76 3.92 0.00 1.53 1.70 -0.54 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.03 3.83 0.00 1.72 1.83 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.36 7.81 84 K 7.43 4.33 0.00 1.89 1.87 0.00 1.57 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.42 7.81 85 A 8.16 4.35 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 86 S 8.51 4.24 0.00 3.81 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 87 V 8.13 3.87 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 0.84 0.00 0.00 0.92 0.00 0.00 88 E 7.94 4.79 0.00 2.13 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 2.17 2.38 0.00 89 I 7.50 4.33 1.85 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 1.28 0.45 0.89 0.00 0.00 90 D 8.68 4.38 0.00 2.60 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 91 R 8.13 4.48 0.00 1.81 1.94 0.00 3.30 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 92 K 7.92 4.48 0.00 1.71 1.56 0.00 2.15 0.00 0.00 2.09 0.00 0.00 3.16 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.49 1.48 7.81 93 I 7.30 2.25 1.12 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 1.13 0.42 -0.86 0.00 0.00 94 L 7.38 4.05 0.00 1.88 1.92 1.11 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.00 4.27 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 96 D 7.98 4.96 0.00 2.53 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 0.00 0.00 0.00 0.00 97 I 7.59 4.15 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.96 1.02 0.00 0.00 98 A 7.35 4.21 0.81 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 99 V 7.28 3.59 1.69 0.00 0.00 0.00 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 0.71 0.00 0.00 100 F 6.80 4.80 0.00 3.18 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 0.00 101 D 8.75 4.75 0.00 2.86 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 0.00 102 K 8.21 3.70 0.00 1.84 1.70 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.76 1.55 7.81 103 V 8.00 3.59 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 0.90 0.00 0.00 0.97 0.00 0.00 104 A 8.36 4.18 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 0.00 105 F 8.42 3.93 0.00 3.15 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 0.00 106 T 8.53 3.98 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 1.25 0.00 0.00 107 A 8.94 4.02 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 0.00 108 L 7.83 3.86 0.00 1.57 1.60 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 V 7.78 3.52 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 0.96 0.00 0.00 0.69 0.00 0.00 110 E 7.62 4.10 0.00 2.24 1.93 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 2.53 2.52 0.00 111 K 8.32 3.93 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.65 7.81 112 A 8.57 4.11 1.53 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 0.00 113 K 8.81 3.90 0.00 1.72 2.03 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.50 7.81 114 A 8.02 4.26 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 0.00 115 A 8.00 4.07 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 0.00 116 L 6.92 4.54 0.00 1.61 1.64 0.92 0.70 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 0.00 117 A 8.13 4.14 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