NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3512 8.2649 123.5807 52.6261 19.8358 175.5371 2 T 4.4264 8.4410 107.8102 63.5492 71.3983 173.0482 3 K 5.3098 8.4105 121.5603 54.6132 36.9111 174.8091 4 A 5.4260 9.1213 123.9995 50.9096 23.4904 175.0300 5 V 4.9981 8.7728 117.2669 61.0337 35.4217 173.2329 6 C 4.9643 9.1704 121.7854 58.0446 35.5237 172.5658 7 V 4.6161 8.4985 125.8809 61.3678 33.2815 173.9720 8 L 4.9816 8.8626 129.1167 53.6016 43.3524 176.0839 9 K 4.8711 9.1700 122.2034 55.5141 37.0948 176.2108 10 G 4.3195 7.9701 108.0467 46.0434 0.0000 172.2529 11 D 4.5530 8.8093 118.1792 55.3057 41.8509 176.5793 12 G 4.2450 7.5880 108.5989 43.8179 0.0000 171.3367 13 P 4.4442 0.0000 0.0000 63.4684 32.1114 176.4981 14 V 4.1485 7.7976 119.7729 62.5982 32.1204 174.5757 15 Q 4.7882 7.9804 123.2408 55.7200 32.0495 173.1047 16 G 4.1948 8.2703 106.5848 46.2204 0.0000 171.9487 17 I 5.1801 8.2354 119.7722 59.4610 40.8203 175.1298 18 I 4.7704 8.7872 127.5561 59.4648 40.4829 174.4083 19 N 4.9637 8.4060 123.8897 51.3881 41.2369 173.8990 20 F 5.3604 8.8757 119.6834 55.8253 43.3703 173.7522 21 E 5.2272 9.6889 122.5913 54.7897 33.3987 173.7873 22 Q 4.8104 9.3847 127.7620 54.3963 30.7797 175.0220 23 K 4.2350 9.0489 127.5498 58.3994 32.7653 177.5428 24 E 4.7587 7.7708 115.0568 53.7178 32.5036 174.9844 25 S 4.2068 8.8161 116.2826 60.9285 63.2214 173.8708 26 N 4.1053 8.9870 119.1307 53.9306 36.3154 174.4289 27 G 3.9775 8.0023 107.9535 43.7469 0.0000 171.9467 28 P 4.6180 0.0000 0.0000 62.6780 32.2505 176.4624 29 V 4.6300 8.8155 123.1822 61.2110 33.6994 174.8170 30 K 4.7894 9.1704 128.4688 56.1226 33.6451 176.1042 31 V 4.8280 9.1894 125.2591 60.8143 34.2462 174.2074 32 W 5.5272 8.2526 124.1530 54.6381 31.6598 175.2775 33 G 3.9946 7.9035 107.9973 46.3868 0.0000 170.9692 34 S 5.1150 7.9601 115.5853 57.0897 66.6626 174.1673 35 I 5.1527 8.7386 126.4418 59.3282 40.9571 174.6924 36 K 4.8507 9.2089 125.4012 55.8505 35.9939 177.1954 37 G 3.9784 8.9679 107.4338 45.4247 0.0000 173.8055 38 L 4.2978 7.5665 120.2368 53.6170 42.6398 176.6282 39 T 4.3121 8.1479 111.1842 61.1512 69.4260 173.9512 40 E 4.1056 8.6073 124.4861 57.8061 30.4303 175.2920 41 G 3.8117 8.5910 110.4537 43.8948 0.0000 172.4404 42 L 4.7727 8.1968 118.8801 54.9893 42.8883 176.6132 43 H 4.9856 9.3003 119.3858 53.7539 33.0795 173.4754 44 G 4.0892 9.0857 110.9429 47.0082 0.0000 172.8184 45 F 5.4556 8.4822 124.1327 57.6055 41.7575 172.4456 46 H 5.3498 9.1462 123.3226 53.8634 33.2307 172.9883 47 V 4.3922 8.4939 122.3712 62.5213 32.7627 174.8880 48 H 5.0872 9.2470 125.7078 54.4069 30.6387 175.9938 49 E 3.6843 8.8227 122.4508 58.7569 29.9140 177.0955 50 F 4.9958 8.3105 118.2763 54.8269 41.7197 176.8872 51 G 4.4018 8.3364 112.5071 44.2958 0.0000 174.3981 52 D 4.7275 7.8728 117.2579 52.7305 42.8795 174.0850 53 N 5.0976 8.5013 124.7304 53.4906 39.2122 176.5076 54 T 4.0043 8.5233 109.5008 63.3494 69.0733 174.5691 55 A 4.6879 8.0587 126.0765 51.4445 19.8317 176.7668 56 G 4.0939 7.8840 110.4193 47.1765 0.0000 175.2706 57 C 4.4497 8.5997 115.5677 59.5660 39.1590 175.9275 58 T 3.7751 7.6422 116.0504 66.4465 68.0713 175.8488 59 S 4.5520 7.6836 112.4906 58.7032 63.1676 174.8050 60 A 4.4861 7.5183 124.1344 52.5886 18.5663 179.1336 61 G 4.0146 7.5485 104.4221 43.8292 0.0000 170.8763 62 P 4.7279 0.0000 0.0000 61.8539 33.7215 175.0356 63 H 4.2843 8.6063 116.4294 56.0719 29.4018 175.5314 64 F 4.2993 9.1014 125.7865 57.9996 40.3236 175.3058 65 N 5.0914 7.8021 126.1920 51.7839 38.9597 173.2005 66 P 4.1776 0.0000 0.0000 65.0648 32.0960 177.7618 67 L 4.2986 7.5915 116.8768 53.7731 42.0795 176.1336 68 S 3.6055 7.5271 113.5559 59.7361 60.6026 171.8505 69 R 4.4766 8.0435 117.8732 54.4236 32.5775 176.6281 70 K 4.3886 8.7515 118.7248 56.0856 33.6023 176.4592 71 H 4.0553 8.6825 122.6570 56.7160 30.3935 175.0237 72 G 4.1112 7.3682 110.1743 45.3717 0.0000 172.2675 73 G 4.1018 8.9016 109.0702 43.6563 0.0000 173.2763 74 P 4.3137 0.0000 0.0000 65.4889 31.2250 177.5691 75 K 4.2474 7.9444 115.3745 56.9285 32.4270 176.3305 76 D 4.7850 7.6442 119.4851 52.8267 42.0936 176.4249 77 E 3.9011 8.6832 123.1626 58.9337 29.6906 176.5302 78 E 4.2554 7.9682 121.0949 55.1626 28.5249 174.7608 79 R 4.6588 7.5692 119.7244 55.1345 32.5522 174.8462 80 H 4.4806 8.9077 116.4241 55.3846 29.4653 176.8136 81 V 3.4533 8.2726 122.4468 66.2200 31.6876 177.0603 82 G 3.8649 8.4099 105.2857 47.0610 0.0000 173.6346 83 D 5.1293 8.0359 122.0500 53.4325 39.3818 176.2484 84 L 4.5612 8.1323 121.8701 52.8677 43.6135 176.4193 85 R 4.0051 8.6844 120.3868 56.7408 30.4390 175.9121 86 N 4.6769 8.7543 121.4986 54.2755 39.3073 174.8127 87 V 4.1789 8.4517 114.9023 60.5866 33.9863 175.3101 88 T 5.0268 8.0894 117.8731 61.9235 71.9832 172.9549 89 A 4.5419 8.9942 129.2868 51.0491 20.8753 177.2220 90 D 4.9704 8.6998 121.5694 53.0251 42.5341 177.2423 91 K 3.8267 8.6888 120.5271 60.1019 31.9373 177.3016 92 D 4.4936 7.9891 114.2515 53.7608 39.4261 176.9215 93 G 4.3537 8.5728 109.1092 44.5365 0.0000 172.8076 94 V 4.6423 7.9122 120.4477 61.1241 33.6601 174.4231 95 A 4.9720 8.9352 130.6826 49.7276 20.2753 175.2613 96 D 4.9558 8.5531 122.1627 54.5664 41.8679 176.3994 97 V 4.2781 8.6865 124.8011 61.2956 33.9223 175.0222 98 S 5.0974 8.4237 122.4925 57.8255 64.1672 172.8044 99 I 4.8875 9.2806 121.0015 59.2820 41.6648 173.4606 100 E 5.2861 8.7518 122.3203 54.4908 32.5642 174.1557 101 D 4.8961 9.2810 125.1220 52.6033 44.7478 175.7583 102 S 4.7443 8.8939 119.7231 58.3904 63.6113 174.4161 103 V 4.2279 8.0133 120.9623 64.1523 32.8140 176.4380 104 I 4.0094 7.9777 111.6929 61.2558 38.1088 174.7659 105 S 4.6653 8.4091 114.9354 57.3285 65.4648 174.2973 106 L 4.4651 8.9695 123.4198 54.5457 41.6764 176.2388 107 S 4.5077 7.7492 112.8536 57.9272 66.6631 174.9250 108 G 3.8632 8.5178 107.4695 45.2259 0.0000 173.8857 109 D 4.4510 8.7594 117.6064 57.2120 41.1562 176.7856 110 H 4.9706 8.1075 114.6791 55.4148 29.0138 173.9008 111 C 4.4019 8.0564 121.3018 59.8627 31.7554 173.4845 112 I 3.9457 8.2250 118.9319 60.3094 38.0199 175.5665 113 I 3.7035 7.3098 123.1044 62.9207 37.3193 176.3386 114 G 3.8386 9.4264 113.6043 45.3150 0.0000 172.9903 115 R 4.8128 7.4026 119.3891 54.7436 33.7813 174.4632 116 T 5.0329 8.0081 115.0411 62.2341 71.7147 173.3515 117 L 4.8623 8.6228 128.4421 53.9676 44.1083 175.3100 118 V 5.0542 8.8488 125.8411 61.0211 34.9904 174.2182 119 V 5.1080 8.6841 127.0490 60.4945 33.7564 174.6261 120 H 5.3443 8.8407 120.6420 53.9132 30.9431 174.2899 121 E 4.2957 9.0973 122.1317 59.0469 30.1388 176.2889 122 K 4.7389 8.4548 116.6919 54.6848 36.6948 175.6408 123 A 4.2380 8.4525 122.1411 52.1965 18.7763 176.3188 124 D 4.8206 8.9827 122.5517 54.1654 41.9423 176.0322 125 D 4.5519 9.1964 125.5588 53.3937 39.8083 177.2373 126 L 3.5051 9.4887 119.7521 55.6906 39.4984 175.8074 127 G 4.2218 8.5257 105.0477 45.9694 0.0000 174.6870 128 K 4.5055 8.1471 116.6952 56.0559 32.4787 176.8403 129 G 4.2665 7.9426 106.4008 44.7027 0.0000 175.3888 130 G 3.9405 8.6896 107.8169 44.8173 0.0000 172.5700 131 N 5.1336 7.3954 115.0653 50.2294 40.6478 174.2256 132 E 4.0745 8.7272 117.3735 59.5758 29.7451 179.4695 133 E 3.9579 8.2111 118.4950 58.9185 29.4201 178.3493 134 S 4.1137 8.2831 113.9084 61.3573 62.2895 175.3436 135 T 4.5190 7.6343 110.0430 61.5325 68.5565 175.7131 136 K 4.1677 7.6884 122.6699 58.2149 33.1745 177.0902 137 T 4.1219 7.8739 104.7163 59.9949 70.1741 174.9536 138 G 3.8258 8.0831 109.8347 44.7017 0.0000 172.8814 139 N 4.2374 7.5077 114.8352 54.3162 36.6721 174.5714 140 A 4.5713 7.4368 117.2061 50.8927 19.6882 179.7098 141 G 4.1467 7.9062 105.9701 45.6127 0.0000 173.7980 142 S 4.4119 8.6368 114.6042 58.4477 64.8348 174.2442 143 R 4.3281 8.3414 119.9958 55.2276 29.2467 176.4697 144 L 4.2976 8.8616 125.9398 57.3924 42.9905 177.2119 145 A 4.8358 7.6870 117.9605 51.3452 22.8505 173.8707 146 C 5.6212 8.4752 112.9814 56.1514 46.5786 172.7600 147 G 4.7447 8.0613 104.3868 46.1231 0.0000 172.5121 148 V 4.4541 8.2577 120.8773 62.3535 32.8182 175.5679 149 I 4.1336 8.8487 129.4289 60.9711 37.9009 175.3378 150 G 4.3878 8.9705 115.0107 43.9284 0.0000 172.2561 151 I 4.2464 8.2996 121.7197 61.1940 37.5808 175.4671 152 A 4.8142 8.5361 127.9894 49.5800 22.3081 176.0893 153 Q 4.0720 8.4993 118.6049 56.4900 29.2177 175.8553 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 4.35 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 2 T 8.44 4.43 4.28 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 1.32 0.00 0.00 3 K 8.41 5.31 0.00 1.86 1.72 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.50 7.81 4 A 9.12 5.43 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 5 V 8.77 5.00 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 0.79 0.00 0.00 0.93 0.00 0.00 6 C 9.17 4.96 0.00 3.12 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 7 V 8.50 4.62 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 0.99 0.00 0.00 0.92 0.00 0.00 8 L 8.86 4.98 0.00 1.74 1.59 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.17 4.87 0.00 1.60 1.62 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.52 7.81 10 G 7.97 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 11 D 8.81 4.55 0.00 2.68 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.59 4.25 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 13 P 0.00 4.44 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 14 V 7.80 4.15 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 1.06 0.00 0.00 0.94 0.00 0.00 15 Q 7.98 4.79 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 16 G 8.27 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 5.18 1.82 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 1.20 0.94 0.83 0.00 0.00 18 I 8.79 4.77 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.25 0.48 0.00 0.00 19 N 8.41 4.96 0.00 1.44 1.42 0.00 0.00 6.44 8.00 0.00 0.00 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 F 8.88 5.36 0.00 2.91 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 21 E 9.69 5.23 0.00 2.48 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 2.39 0.00 22 Q 9.38 4.81 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 23 K 9.05 4.24 0.00 1.81 1.87 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.45 7.81 24 E 7.77 4.76 0.00 2.06 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 2.26 2.25 0.00 25 S 8.82 4.21 0.00 3.88 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 26 N 8.99 4.11 0.00 2.82 2.87 0.00 0.00 7.01 7.65 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 27 G 8.00 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 28 P 0.00 4.62 0.00 2.08 2.04 0.00 3.67 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 2.05 2.11 0.00 29 V 8.82 4.63 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 1.36 0.00 0.00 1.05 0.00 0.00 30 K 9.17 4.79 0.00 1.97 1.81 0.00 1.61 0.00 0.00 1.38 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.47 1.44 7.81 31 V 9.19 4.83 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 0.84 0.00 0.00 1.06 0.00 0.00 32 W 8.25 5.53 0.00 3.50 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.90 3.99 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 0.00 0.00 0.00 34 S 7.96 5.11 0.00 3.93 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 35 I 8.74 5.15 1.78 0.00 0.00 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 1.26 0.41 0.92 0.00 0.00 36 K 9.21 4.85 0.00 1.73 1.87 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.33 7.81 37 G 8.97 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 38 L 7.57 4.30 0.00 1.81 1.38 0.79 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.15 4.31 4.28 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 1.24 0.00 0.00 40 E 8.61 4.11 0.00 1.95 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 2.30 2.36 0.00 41 G 8.59 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 42 L 8.20 4.77 0.00 1.50 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.30 4.99 0.00 2.98 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.09 4.09 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 0.00 0.00 0.00 45 F 8.48 5.46 0.00 2.97 3.07 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 46 H 9.15 5.35 0.00 3.19 2.95 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.49 4.39 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 0.95 0.00 0.00 0.89 0.00 0.00 48 H 9.25 5.09 0.00 3.05 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.82 3.68 0.00 1.67 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 1.47 2.08 0.00 50 F 8.31 5.00 0.00 3.02 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 51 G 8.34 4.40 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 0.00 52 D 7.87 4.73 0.00 2.60 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 53 N 8.50 5.10 0.00 2.81 2.71 0.00 0.00 6.89 7.22 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 54 T 8.52 4.00 4.22 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 1.23 0.00 0.00 55 A 8.06 4.69 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 56 G 7.88 4.09 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 0.00 0.00 0.00 57 C 8.60 4.45 0.00 2.98 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 58 T 7.64 3.78 4.42 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 1.23 0.00 0.00 59 S 7.68 4.55 0.00 4.01 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 60 A 7.52 4.49 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 61 G 7.55 4.01 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 0.00 0.00 0.00 62 P 0.00 4.73 0.00 2.06 2.21 0.00 3.64 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 2.03 1.97 0.00 63 H 8.61 4.28 0.00 2.81 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.10 4.30 0.00 2.90 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 65 N 7.80 5.09 0.00 2.57 2.43 0.00 0.00 6.93 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 66 P 0.00 4.18 0.00 2.06 1.95 0.00 3.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.24 0.00 67 L 7.59 4.30 0.00 1.54 1.66 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.53 3.61 0.00 4.00 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 69 R 8.04 4.48 0.00 1.88 1.97 0.00 3.29 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 1.54 1.77 0.00 70 K 8.75 4.39 0.00 1.67 1.81 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.37 7.81 71 H 8.68 4.06 0.00 3.19 3.16 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.37 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 0.00 0.00 0.00 0.00 73 G 8.90 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 74 P 0.00 4.31 0.00 2.22 2.39 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 75 K 7.94 4.25 0.00 1.77 1.90 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.47 7.81 76 D 7.64 4.78 0.00 2.83 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 77 E 8.68 3.90 0.00 1.91 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 2.28 2.23 0.00 78 E 7.97 4.26 0.00 2.06 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 2.32 2.30 0.00 79 R 7.57 4.66 0.00 1.83 1.89 0.00 2.92 0.00 0.00 3.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 80 H 8.91 4.48 0.00 3.46 3.36 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.27 3.45 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 0.80 0.00 0.00 0.50 0.00 0.00 82 G 8.41 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 83 D 8.04 5.13 0.00 2.66 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 84 L 8.13 4.56 0.00 1.87 1.77 0.72 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.68 4.01 0.00 1.85 1.95 0.00 3.28 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 86 N 8.75 4.68 0.00 2.67 2.77 0.00 0.00 6.97 7.68 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 87 V 8.45 4.18 1.80 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 -0.26 0.00 0.00 0.75 0.00 0.00 88 T 8.09 5.03 4.22 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 1.17 0.00 0.00 89 A 8.99 4.54 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 90 D 8.70 4.97 0.00 2.88 2.63 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 91 K 8.69 3.83 0.00 1.71 1.85 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.44 7.81 92 D 7.99 4.49 0.00 2.80 2.75 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 93 G 8.57 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 0.00 0.00 0.00 0.00 94 V 7.91 4.64 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 1.08 0.00 0.00 0.95 0.00 0.00 95 A 8.94 4.97 1.15 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 0.00 0.00 0.00 0.00 0.00 96 D 8.55 4.96 0.00 2.57 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 97 V 8.69 4.28 1.99 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 0.82 0.00 0.00 0.68 0.00 0.00 98 S 8.42 5.10 0.00 3.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.28 4.89 1.95 0.00 0.00 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 1.36 1.27 0.96 0.00 0.00 100 E 8.75 5.29 0.00 1.98 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 2.32 0.00 101 D 9.28 4.90 0.00 2.87 2.53 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 0.00 102 S 8.89 4.74 0.00 3.90 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 0.00 103 V 8.01 4.23 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 0.84 0.00 0.00 0.95 0.00 0.00 104 I 7.98 4.01 1.94 0.00 0.00 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 1.49 0.81 1.02 0.00 0.00 105 S 8.41 4.67 0.00 3.81 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 0.00 106 L 8.97 4.47 0.00 1.78 1.72 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.75 4.51 0.00 3.87 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 0.00 108 G 8.52 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 0.00 109 D 8.76 4.45 0.00 2.75 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 0.00 110 H 8.11 4.97 0.00 3.21 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.06 4.40 0.00 3.17 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 0.00 112 I 8.23 3.95 1.62 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.17 0.97 0.00 0.00 113 I 7.31 3.70 1.78 0.00 0.00 0.73 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 0.74 0.84 0.00 0.00 114 G 9.43 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.40 4.81 0.00 1.60 1.82 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.24 0.00 116 T 8.01 5.03 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 1.26 0.00 0.00 117 L 8.62 4.86 0.00 1.80 1.55 0.47 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.85 5.05 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 0.79 0.00 0.00 119 V 8.68 5.11 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 0.81 0.00 0.00 1.01 0.00 0.00 120 H 8.84 5.34 0.00 3.29 3.53 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 0.00 121 E 9.10 4.30 0.00 2.15 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 2.36 2.31 0.00 122 K 8.45 4.74 0.00 1.80 1.87 0.00 1.38 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.38 7.81 123 A 8.45 4.24 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 0.00 124 D 8.98 4.82 0.00 2.73 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 0.00 125 D 9.20 4.55 0.00 2.94 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 0.00 126 L 9.49 3.51 0.00 1.88 1.84 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.53 4.22 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 0.00 128 K 8.15 4.51 0.00 1.86 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.49 7.81 129 G 7.94 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 0.00 130 G 8.69 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 0.00 131 N 7.40 5.13 0.00 2.77 2.78 0.00 0.00 6.15 7.66 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 0.00 132 E 8.73 4.07 0.00 2.05 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 2.40 2.31 0.00 133 E 8.21 3.96 0.00 2.07 2.18 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 2.37 2.41 0.00 134 S 8.28 4.11 0.00 4.06 3.99 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 0.00 135 T 7.63 4.52 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 1.24 0.00 0.00 136 K 7.69 4.17 0.00 1.71 1.95 0.00 1.70 0.00 0.00 2.06 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.37 7.81 137 T 7.87 4.12 4.18 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 1.17 0.00 0.00 138 G 8.08 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 0.00 0.00 0.00 139 N 7.51 4.24 0.00 2.94 2.90 0.00 0.00 6.83 7.20 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 0.00 140 A 7.44 4.57 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 0.00 141 G 7.91 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 142 S 8.64 4.41 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 0.00 143 R 8.34 4.33 0.00 1.67 1.85 0.00 3.23 0.00 0.00 3.10 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.65 0.00 144 L 8.86 4.30 0.00 1.71 1.69 0.92 0.53 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 0.00 145 A 7.69 4.84 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 0.00 146 C 8.48 5.62 0.00 3.03 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 0.00 147 G 8.06 4.74 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 0.00 148 V 8.26 4.45 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 0.83 0.00 0.00 0.98 0.00 0.00 149 I 8.85 4.13 1.81 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.26 0.40 0.00 0.00 150 G 8.97 4.39 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 0.00 151 I 8.30 4.25 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 1.25 0.54 0.91 0.00 0.00 152 A 8.54 4.81 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 0.00 153 Q 8.50 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00