NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4133 8.2893 120.3486 55.3397 33.0220 174.7088 2 N 4.6276 8.5955 124.1865 51.4896 38.8390 173.0132 3 I 4.5605 8.8470 121.5362 59.5428 41.6854 176.3726 4 I 4.3509 8.3153 124.0342 59.6492 38.3477 175.1154 5 K 4.4444 8.5851 124.8830 54.3919 33.9516 176.3182 6 A 4.5546 8.3806 126.4427 50.8378 21.1524 175.0798 7 N 5.0528 8.1900 116.8084 51.9530 41.4762 175.6396 8 V 3.9226 8.1752 114.2889 62.6685 32.3194 176.8183 9 A 4.2713 8.1196 123.4989 52.0926 18.7636 177.9498 10 A 4.6272 8.1929 121.7274 51.2176 21.7296 174.1245 11 P 4.7785 0.0000 0.0000 64.9109 32.1445 178.9688 12 D 4.5034 8.0662 115.3208 54.3008 40.4912 175.8055 13 A 4.5925 7.7135 124.8217 51.8587 20.1898 178.3495 14 R 4.8212 9.5374 120.6803 55.1615 32.6880 175.8672 15 V 4.9351 8.9276 124.6849 60.0071 34.7161 174.0112 16 A 4.9726 8.4875 128.5590 50.0688 21.6074 175.1541 17 I 4.8212 8.6524 123.4570 59.5311 39.8950 174.6848 18 T 4.8034 8.6904 117.6855 59.9684 70.7943 173.3293 19 I 5.1368 8.3461 126.4757 58.2432 40.6273 174.4199 20 A 5.1207 8.4012 127.4970 51.1291 19.3975 177.9035 21 R 4.4569 9.2742 119.5378 58.4739 30.2799 177.0441 22 F 4.6242 8.2494 121.1041 59.9732 39.6970 174.3690 23 N 4.6389 9.8902 123.5609 54.4856 35.7340 175.9934 24 Q 4.1695 8.4081 120.4153 59.5353 28.0048 178.1653 25 F 4.0035 8.5094 121.4329 61.0516 39.4043 176.3714 26 I 4.2275 8.3062 118.8429 63.7045 37.6766 177.7776 27 N 4.3887 8.2801 116.5564 56.2268 38.2320 177.0319 28 D 4.4487 8.7089 120.8779 57.5852 41.0053 178.7249 29 S 4.0537 7.9669 113.0569 61.0527 62.4347 175.4659 30 L 4.0779 7.8254 123.2600 58.6401 41.6873 178.3152 31 L 3.8725 8.2875 120.4402 57.5767 41.9967 178.5970 32 D 4.4991 8.5805 118.6104 57.3477 41.0029 179.7995 33 G 3.5903 8.1976 105.7619 47.7887 0.0000 175.2998 34 A 3.9069 7.8950 123.3515 54.7057 18.4622 179.3067 35 V 3.4385 7.8462 116.4361 66.3190 31.5219 177.3640 36 D 4.2909 8.1382 117.1039 57.7784 40.9471 177.7494 37 A 3.9231 8.4037 120.8770 55.9199 18.3909 179.0172 38 L 3.8286 8.6302 116.1413 59.2393 41.8659 179.9467 39 T 4.1791 8.2305 110.5992 64.3839 68.6579 176.4073 40 R 3.8627 8.2603 123.4423 58.1631 30.6324 177.8357 41 I 4.1049 7.9808 117.2411 63.4583 37.9284 177.1737 42 G 3.7344 7.9456 106.4793 45.5324 0.0000 174.1823 43 Q 3.8151 8.2548 117.8740 56.4035 26.8875 173.2544 44 V 3.9188 7.4647 118.7650 62.3658 32.1988 175.2824 45 K 4.2135 8.5803 128.9024 56.2561 32.5413 176.6819 46 D 4.6809 8.8145 124.1630 54.0417 39.0304 176.2359 47 D 4.7859 7.9747 117.3560 53.8082 40.2829 176.3343 48 N 4.6919 8.5172 117.7964 53.6645 39.3080 174.0828 49 I 4.8808 7.5956 120.2609 60.2286 38.3994 175.1565 50 T 4.7039 8.7735 117.5089 59.6885 71.8017 173.0555 51 V 4.6156 8.4104 123.8290 61.0503 34.1159 174.5276 52 V 4.3032 9.0199 129.0465 60.8165 33.6007 174.4718 53 W 4.9033 8.9758 129.0743 56.5313 29.6253 176.4826 54 V 4.3444 8.7798 119.2216 58.9674 33.7389 174.4025 55 P 4.3264 0.0000 0.0000 65.0081 31.1332 176.9246 56 G 4.5006 7.9643 108.1482 42.9339 0.0000 174.1260 57 A 4.0871 8.4867 120.7755 54.7944 18.1083 179.3118 58 Y 4.2045 8.1566 117.0441 60.5649 39.2366 177.3118 59 E 4.1428 8.2187 119.0848 57.9756 29.6623 178.4722 60 L 3.8947 7.5685 119.6708 58.1091 41.6080 177.1370 61 P 4.1855 0.0000 0.0000 64.8440 31.1977 177.9498 62 L 3.8222 7.7543 117.9211 58.4746 42.2561 179.3161 63 A 3.9694 7.8102 119.9629 55.5758 18.3303 179.8174 64 T 3.7991 8.2123 108.5598 64.6474 68.6619 175.9133 65 E 3.8432 8.9823 122.6615 59.1915 29.5258 178.3224 66 A 4.0054 8.0040 120.4383 55.6443 18.2160 179.5909 67 L 4.0631 7.6216 114.9408 57.8938 41.9493 179.5383 68 A 4.2133 8.4212 121.0201 55.1941 18.2206 179.8078 69 K 3.9094 8.2122 116.1682 59.6558 32.1475 178.9589 70 S 4.1977 8.2361 113.0891 59.4595 61.2903 175.8838 71 G 3.9880 8.3950 107.8126 45.7315 0.0000 175.4957 72 K 3.9196 7.8058 118.6473 58.2517 32.1881 176.7075 73 Y 5.0414 6.9214 115.5482 56.1971 40.6165 175.4040 74 D 4.7195 9.2500 122.1093 55.8025 41.8190 176.4812 75 A 4.5271 7.2936 117.7555 51.2968 22.4126 175.0803 76 V 4.7323 8.1012 120.1492 61.0317 34.5590 174.5036 77 V 4.3369 8.7791 128.3347 61.5432 33.3334 174.2079 78 A 4.9601 8.5241 130.3916 49.7783 20.6981 175.2252 79 L 5.2567 8.0281 123.1119 52.7716 44.3590 176.4237 80 G 4.1937 7.7075 108.4402 46.2761 0.0000 171.8721 81 T 5.0354 8.1815 116.0893 61.5448 72.0279 174.5206 82 V 4.2197 9.0564 125.5173 61.2759 33.9072 173.8319 83 I 4.6824 8.1630 128.5269 59.6519 38.5783 175.9783 84 R 3.6033 8.4574 127.8851 56.5930 30.2697 176.3729 85 G 4.3768 8.3536 116.3140 44.3051 0.0000 172.9968 86 G 3.6485 8.7544 107.6320 47.3911 0.0000 173.3242 87 T 4.5304 7.5943 108.3822 59.7032 71.5114 173.5067 88 A 4.4633 8.3656 121.3483 52.7344 18.8738 178.6505 89 H 4.2815 8.3574 119.9602 60.2635 29.7719 176.8810 90 F 4.0506 8.4953 121.9532 61.5856 38.9984 176.6940 91 E 3.5833 8.0262 118.4372 59.5091 29.3800 178.3980 92 Y 4.3347 7.3828 115.9690 60.6833 38.1192 177.7315 93 V 3.6723 7.6449 119.1021 65.9084 31.6609 177.8414 94 A 4.0882 7.7387 120.1034 55.4171 18.0738 179.3797 95 G 3.6604 8.1975 104.7455 47.5845 0.0000 175.8565 96 G 3.8891 8.7697 108.2191 45.8220 0.0000 174.7194 97 A 4.2546 7.6807 122.4773 54.3733 19.6563 179.1616 98 S 4.1239 8.3675 112.0178 61.8226 62.3655 176.2498 99 N 4.4245 8.4600 119.3249 55.9874 38.3352 177.3684 100 G 3.7411 7.6855 106.2411 48.0914 0.0000 175.4328 101 L 3.9946 8.0124 121.6552 57.2945 41.8252 179.6629 102 A 4.0011 8.0187 120.5602 55.0291 18.2445 179.5984 103 S 3.9495 8.3314 111.8329 61.5112 62.4698 176.1528 104 V 3.5435 7.8151 120.7654 66.2653 31.0762 177.7197 105 A 4.3996 7.8068 121.0610 54.8265 18.0065 179.4384 106 Q 3.8845 7.6423 116.2216 59.2093 29.1491 177.8101 107 D 4.5215 8.0618 119.4537 57.0776 41.2178 178.5316 108 S 4.3393 8.3405 113.2091 58.8128 63.4256 175.6014 109 G 3.8860 8.1977 109.5964 45.6366 0.0000 173.6549 110 V 3.9748 7.5757 121.0554 61.5548 33.0749 173.6178 111 P 4.5856 0.0000 0.0000 62.7025 32.4878 175.1525 112 V 4.9273 8.3905 123.5861 61.0187 34.0022 174.2609 113 A 4.4189 8.8397 130.4003 51.0265 20.3096 176.3736 114 F 4.8242 8.9957 126.7329 56.2939 38.3264 175.8735 115 G 3.9396 8.0867 118.1326 45.0161 0.0000 171.1909 116 V 4.5578 6.1344 117.5847 60.5179 33.9017 176.0489 117 L 4.2513 8.6950 129.4190 55.1937 42.7847 176.6874 118 T 4.9020 8.5278 112.8335 59.9110 69.1130 172.6306 119 T 4.6152 8.7027 121.2008 60.9425 71.9461 175.0783 120 E 4.1136 9.8221 120.7386 57.2938 30.4845 177.2299 121 S 4.7041 7.5805 112.0134 55.6210 67.6007 174.8196 122 I 3.6886 8.2228 123.1247 64.2253 36.5926 177.9870 123 E 3.8999 8.1908 119.1163 59.7620 29.7725 178.6651 124 Q 4.2830 8.1415 117.4320 58.7878 28.7456 178.5067 125 A 4.0206 7.7822 121.8888 55.4629 18.2664 179.7441 126 I 3.7599 7.8409 118.1364 64.6523 37.1054 178.5485 127 E 4.5529 8.0860 120.3148 58.0420 29.3019 178.3813 128 R 4.5384 7.9400 115.8147 55.6579 30.4723 176.7397 129 A 4.7809 7.2231 121.7962 52.6477 19.4963 176.8622 130 G 4.4368 7.7787 108.0939 48.1946 0.0000 175.5173 131 T 4.6325 7.5253 115.6570 60.1239 68.7432 175.6645 132 K 3.7920 9.2351 117.1803 59.3529 31.7272 177.9517 133 A 4.5738 7.7711 119.2807 52.0647 20.0505 178.9310 134 G 3.7510 8.1594 110.4570 47.3702 0.0000 173.9868 135 N 5.2741 8.2288 117.2712 50.8314 40.7812 175.4540 136 K 3.9883 8.9245 128.7086 59.1091 32.1271 178.9897 137 G 4.0706 8.2586 107.6586 47.3547 0.0000 175.5726 138 A 4.0564 7.8914 123.3939 54.3878 18.4597 179.2249 139 E 3.8341 8.4394 117.8053 59.3962 29.7475 178.9490 140 A 4.0843 8.5575 122.3966 54.3417 18.4600 179.4664 141 A 3.9039 8.1489 119.4869 55.2876 18.3910 179.8998 142 L 3.9323 8.1407 117.8888 58.2100 41.5770 179.9417 143 T 3.8439 8.1087 109.2963 64.4653 68.5177 176.2181 144 A 4.0190 7.9342 123.9904 55.0186 18.5014 179.1535 145 L 3.8985 7.8018 116.7883 58.1222 41.8290 179.3581 146 E 4.1708 8.2912 120.3638 58.9982 29.4183 178.7044 147 M 4.0214 8.0307 118.4031 58.5209 31.9837 178.4362 148 I 3.6978 7.7653 119.8037 64.8679 37.2874 178.1633 149 N 4.3177 8.0051 116.2958 56.1885 38.1709 177.4786 150 V 3.5766 7.9474 119.0194 66.2226 31.7294 177.8694 151 L 4.0761 8.3346 118.7133 57.7524 41.3630 179.1900 152 K 3.8321 8.0588 118.4800 59.5505 32.1129 176.9771 153 A 4.4713 8.0626 120.1325 51.7689 19.4356 177.2498 154 I 3.8857 7.8712 121.0710 63.1691 37.7310 173.9673 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 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.60 4.63 0.00 2.95 2.79 0.00 0.00 6.07 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 3 I 8.85 4.56 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 1.41 0.67 0.91 0.00 0.00 4 I 8.32 4.35 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 1.41 0.60 0.91 0.00 0.00 5 K 8.59 4.44 0.00 1.71 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.39 7.81 6 A 8.38 4.55 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 7 N 8.19 5.05 0.00 2.73 2.64 0.00 0.00 6.86 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 8 V 8.18 3.92 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 0.93 0.00 0.00 9 A 8.12 4.27 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 10 A 8.19 4.63 1.21 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 0.00 0.00 11 P 0.00 4.78 0.00 2.23 2.38 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 12 D 8.07 4.50 0.00 2.69 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 13 A 7.71 4.59 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 14 R 9.54 4.82 0.00 1.42 1.79 0.00 3.22 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.93 4.94 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 0.90 0.00 0.00 0.95 0.00 0.00 16 A 8.49 4.97 0.30 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 17 I 8.65 4.82 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.89 0.74 0.00 0.00 18 T 8.69 4.80 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 1.09 0.00 0.00 19 I 8.35 5.14 0.72 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.09 0.44 0.00 0.00 20 A 8.40 5.12 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 21 R 9.27 4.46 0.00 2.10 2.52 0.00 2.87 0.00 0.00 3.11 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.64 0.00 22 F 8.25 4.62 0.00 3.15 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 23 N 9.89 4.64 0.00 2.97 2.98 0.00 0.00 6.88 7.74 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 24 Q 8.41 4.17 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 25 F 8.51 4.00 0.00 3.13 3.18 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 26 I 8.31 4.23 2.12 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 1.67 0.76 0.95 0.00 0.00 27 N 8.28 4.39 0.00 2.87 2.92 0.00 0.00 7.08 8.08 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 28 D 8.71 4.45 0.00 2.65 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 29 S 7.97 4.05 0.00 3.82 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 30 L 7.83 4.08 0.00 1.93 1.64 0.97 0.53 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 31 L 8.29 3.87 0.00 1.80 1.78 0.77 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.58 4.50 0.00 2.86 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 33 G 8.20 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.90 3.91 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 35 V 7.85 3.44 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 0.98 0.00 0.00 0.94 0.00 0.00 36 D 8.14 4.29 0.00 2.85 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 37 A 8.40 3.92 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 38 L 8.63 3.83 0.00 1.83 1.71 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.23 4.18 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 1.25 0.00 0.00 40 R 8.26 3.86 0.00 1.79 2.24 0.00 3.24 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 41 I 7.98 4.10 2.06 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 1.23 0.97 0.91 0.00 0.00 42 G 7.95 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 0.00 0.00 0.00 43 Q 8.25 3.82 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.46 3.92 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 0.93 0.00 0.00 1.01 0.00 0.00 45 K 8.58 4.21 0.00 1.80 1.68 0.00 1.91 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.81 4.68 0.00 2.83 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 47 D 7.97 4.79 0.00 2.78 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 48 N 8.52 4.69 0.00 2.89 3.00 0.00 0.00 6.89 7.26 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 49 I 7.60 4.88 1.88 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 1.40 0.53 0.89 0.00 0.00 50 T 8.77 4.70 4.31 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 1.50 0.00 0.00 51 V 8.41 4.62 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 0.48 0.00 0.00 0.84 0.00 0.00 52 V 9.02 4.30 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 0.93 0.00 0.00 0.86 0.00 0.00 53 W 8.98 4.90 0.00 3.21 3.20 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 54 V 8.78 4.34 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 0.84 0.00 0.00 1.05 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.29 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 56 G 7.96 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.09 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 58 Y 8.16 4.20 0.00 2.93 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 59 E 8.22 4.14 0.00 2.00 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 2.64 2.58 0.00 60 L 7.57 3.89 0.00 1.77 1.71 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.19 0.00 2.02 1.86 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.09 0.00 62 L 7.75 3.82 0.00 1.63 1.68 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.81 3.97 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 64 T 8.21 3.80 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 1.19 0.00 0.00 65 E 8.98 3.84 0.00 2.00 2.19 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 2.31 2.34 0.00 66 A 8.00 4.01 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 67 L 7.62 4.06 0.00 1.79 1.66 0.62 0.68 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 68 A 8.42 4.21 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 69 K 8.21 3.91 0.00 1.86 1.91 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.60 7.81 70 S 8.24 4.20 0.00 3.90 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 71 G 8.39 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 72 K 7.81 3.92 0.00 1.26 0.86 0.00 1.37 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.39 7.81 73 Y 6.92 5.04 0.00 3.09 2.93 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 74 D 9.25 4.72 0.00 2.55 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 75 A 7.29 4.53 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 76 V 8.10 4.73 2.03 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 0.93 0.00 0.00 0.86 0.00 0.00 77 V 8.78 4.34 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 0.88 0.00 0.00 0.88 0.00 0.00 78 A 8.52 4.96 1.16 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 0.00 0.00 79 L 8.03 5.26 0.00 1.39 1.40 0.86 0.76 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 80 G 7.71 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 81 T 8.18 5.04 4.31 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 1.19 0.00 0.00 82 V 9.06 4.22 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 0.89 0.00 0.00 0.87 0.00 0.00 83 I 8.16 4.68 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 1.24 0.69 0.84 0.00 0.00 84 R 8.46 3.60 0.00 0.67 1.39 0.00 3.06 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 85 G 8.35 4.38 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 0.00 86 G 8.75 3.65 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 0.00 0.00 0.00 87 T 7.59 4.53 4.31 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 1.24 0.00 0.00 88 A 8.37 4.46 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 89 H 8.36 4.28 0.00 3.31 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.50 4.05 0.00 3.10 3.03 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 91 E 8.03 3.58 0.00 1.92 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 2.01 2.18 0.00 92 Y 7.38 4.33 0.00 3.00 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 93 V 7.64 3.67 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 1.05 0.00 0.00 0.77 0.00 0.00 94 A 7.74 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 8.20 3.66 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 0.00 0.00 0.00 96 G 8.77 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 0.00 0.00 0.00 97 A 7.68 4.25 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 98 S 8.37 4.12 0.00 3.69 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 99 N 8.46 4.42 0.00 2.80 2.82 0.00 0.00 6.95 7.60 0.00 0.00 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 G 7.69 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 0.00 101 L 8.01 3.99 0.00 1.89 1.82 1.02 1.02 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 0.00 102 A 8.02 4.00 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 0.00 103 S 8.33 3.95 0.00 3.96 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 0.00 104 V 7.82 3.54 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 1.04 0.00 0.00 0.94 0.00 0.00 105 A 7.81 4.40 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 0.00 106 Q 7.64 3.88 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.06 4.52 0.00 2.70 2.70 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 0.00 108 S 8.34 4.34 0.00 4.02 4.05 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 0.00 0.00 0.00 0.00 109 G 8.20 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 0.00 0.00 0.00 110 V 7.58 3.97 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 1.00 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.59 0.00 2.12 1.97 0.00 3.78 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 2.12 2.09 0.00 112 V 8.39 4.93 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 0.96 0.00 0.00 113 A 8.84 4.42 1.26 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 0.00 0.00 0.00 114 F 9.00 4.82 0.00 3.01 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 0.00 115 G 8.09 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 0.00 116 V 6.13 4.56 1.26 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 0.69 0.00 0.00 0.01 0.00 0.00 117 L 8.70 4.25 0.00 1.63 1.58 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.53 4.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 T 8.70 4.62 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 1.23 0.00 0.00 120 E 9.82 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 2.30 0.00 121 S 7.58 4.70 0.00 3.95 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 0.00 122 I 8.22 3.69 1.84 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 1.47 0.38 0.86 0.00 0.00 123 E 8.19 3.90 0.00 1.93 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 0.00 2.30 2.49 0.00 124 Q 8.14 4.28 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.78 4.02 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 0.00 126 I 7.84 3.76 2.00 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 1.89 0.94 0.99 0.00 0.00 127 E 8.09 4.55 0.00 2.30 2.01 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 2.34 2.40 0.00 128 R 7.94 4.54 0.00 1.87 1.94 0.00 3.11 0.00 0.00 3.19 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.22 4.78 1.32 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 0.00 130 G 7.78 4.44 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 0.00 0.00 0.00 131 T 7.53 4.63 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 1.26 0.00 0.00 132 K 9.24 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.77 4.57 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 0.00 134 G 8.16 3.75 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 0.00 135 N 8.23 5.27 0.00 2.69 2.65 0.00 0.00 6.93 6.95 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 0.00 136 K 8.92 3.99 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.48 7.81 137 G 8.26 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 0.00 138 A 7.89 4.06 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 0.00 139 E 8.44 3.83 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 2.33 0.00 140 A 8.56 4.08 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 0.00 141 A 8.15 3.90 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 0.00 142 L 8.14 3.93 0.00 1.99 1.72 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.11 3.84 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 1.29 0.00 0.00 144 A 7.93 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 0.00 145 L 7.80 3.90 0.00 1.87 1.91 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.29 4.17 0.00 2.02 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 2.31 2.23 0.00 147 M 8.03 4.02 0.00 2.09 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.77 3.70 2.07 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 1.67 0.79 0.92 0.00 0.00 149 N 8.01 4.32 0.00 2.96 2.86 0.00 0.00 6.72 8.06 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 0.00 150 V 7.95 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 151 L 8.33 4.08 0.00 1.95 1.69 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.06 3.83 0.00 1.84 2.10 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.06 4.47 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 0.00 154 I 7.87 3.89 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 1.16 0.72 0.91 0.00 0.00