NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 G 3.8178 8.3549 109.7239 44.7991 0.0000 174.2214 24 Q 3.7893 8.0615 120.0516 55.2216 30.5819 176.9182 25 R 3.8830 8.3068 122.2366 59.3920 30.5833 179.1183 26 W 4.2439 8.0438 115.7703 59.7143 27.9151 178.0030 27 E 2.9171 6.9016 118.7306 58.5749 28.8309 179.0170 28 L 3.8885 7.7162 118.9918 57.3281 41.6566 179.3472 29 A 3.9928 8.0421 120.9534 55.0283 18.3921 179.3750 30 L 4.1043 8.1591 119.2171 58.2544 42.0676 179.2606 31 G 3.8164 8.2740 105.8389 48.0924 0.0000 175.7321 32 R 4.0379 8.1263 120.4718 58.9827 30.0696 178.9885 33 F 4.1895 8.4060 120.4779 60.9961 39.3549 176.9243 34 W 4.4216 9.1741 128.4462 60.8746 30.5160 177.7280 35 D 4.3020 8.7647 119.2217 57.1817 40.3971 178.1539 36 Y 3.9098 8.0819 120.1837 60.6738 38.8862 177.8152 37 L 3.8442 7.9582 121.2870 58.1479 41.8385 178.9460 38 R 3.6113 7.5924 118.0475 58.6905 30.1998 178.0727 39 W 4.1931 8.0838 128.4746 60.4368 30.6362 178.1991 40 V 2.8185 7.7295 118.2430 65.6703 30.6250 177.6621 41 Q 3.7462 7.6730 118.8005 59.0957 28.7205 178.1964 42 T 3.7938 7.7494 110.8348 62.3230 68.5427 174.4889 43 L 3.6537 7.5793 120.3355 55.0296 40.0102 175.1401 44 S 4.2856 6.8299 113.0510 57.8056 64.9249 173.5509 45 E 3.8944 8.6270 120.3189 59.8751 29.1125 179.5198 46 Q 3.9567 8.0310 118.6957 59.0221 29.1940 177.7593 47 V 2.9108 7.1180 119.4489 66.2134 31.0899 178.0769 48 Q 3.9124 7.7527 115.8260 58.8172 28.7234 177.8077 49 E 4.0882 8.2835 120.4465 59.6945 29.2724 178.7994 50 E 4.1712 8.7272 117.8422 58.5628 29.3881 178.7230 51 L 3.9524 7.8661 118.1532 56.4827 41.9176 178.1198 52 L 4.4133 7.5450 117.7637 56.2476 42.3765 176.7856 53 S 4.5909 7.5864 113.4396 57.6830 65.3564 174.6476 54 S 4.6452 8.4409 115.2811 58.6243 63.0540 174.8560 55 Q 3.9828 7.6773 124.4819 59.9144 28.6083 179.1480 56 V 4.2673 8.0796 119.7715 65.9872 31.7963 178.0057 57 T 3.9474 7.9378 108.9014 64.5651 68.6392 176.5466 58 Q 3.9530 8.5286 121.6360 58.9402 28.8149 178.3177 59 E 3.8224 8.2643 119.6020 59.3704 29.3816 179.4044 60 L 3.7581 7.9056 119.2127 57.7385 41.6444 179.6629 61 R 3.9582 7.9711 118.4788 59.2044 30.0238 178.3300 62 A 4.0109 8.1927 120.7757 55.2168 18.3414 179.6043 63 L 3.9930 8.0420 117.4471 58.0308 41.7095 179.2639 64 M 3.8079 8.5145 118.3337 58.9870 32.1011 178.1418 65 D 4.3766 8.2834 118.8749 57.1711 40.9823 178.3398 66 E 3.9417 8.2556 119.9863 59.6648 29.5827 179.0497 67 T 4.0048 8.1812 115.8624 66.9272 68.3871 176.6218 68 M 4.0457 8.1522 120.7126 57.8839 31.9928 178.5587 69 K 3.8848 8.2825 120.0646 59.7717 32.3428 178.7138 70 E 4.0481 8.3099 118.7098 59.2657 29.3615 179.0730 71 L 3.8923 8.2575 120.5833 58.1727 42.0597 179.2914 72 K 3.9513 8.3972 118.4816 59.3158 31.9535 179.2833 73 A 4.0857 8.2977 121.2467 55.0730 18.2879 179.1028 74 Y 4.1938 8.4632 118.8202 60.5869 38.8789 177.9697 75 K 3.7145 8.1965 120.6917 59.5549 32.1218 178.6140 76 S 4.1069 7.5923 111.7105 61.6176 62.4420 175.7658 77 E 4.1186 8.2068 121.2192 59.2568 29.1938 179.2460 78 L 3.8912 7.7284 119.0126 57.3932 41.4305 178.9009 79 E 4.0583 8.0227 117.2758 58.1575 29.4119 177.8618 80 E 4.4295 7.8763 117.6743 56.3020 30.5922 176.4765 81 Q 4.5071 7.9864 118.6251 54.6079 29.9373 174.2118 82 L 4.2471 7.5683 117.5653 54.2304 43.3726 176.6106 83 T 4.4278 7.9583 116.5620 61.5379 69.6976 172.9364 84 P 4.6057 0.0000 0.0000 61.7853 32.6257 175.3830 85 V 4.4377 7.7999 113.5803 58.1615 35.9694 175.1484 86 A 3.8214 8.4113 120.7447 52.3645 19.2524 177.4669 87 E 3.7770 8.9796 125.9402 59.5962 29.5921 178.8530 88 E 3.9395 8.3481 116.7823 60.1985 29.1361 179.2904 89 T 3.8705 7.7161 115.8755 66.1270 68.5916 176.5918 90 R 3.8238 7.9742 120.2839 59.4621 30.3298 178.0584 91 A 4.0158 7.8414 120.4334 55.3384 18.1899 179.6152 92 R 3.8052 7.7612 116.9014 59.7386 30.2093 178.6855 93 L 3.9980 8.1943 119.1066 58.0249 41.6134 179.6029 94 S 4.0954 8.6798 113.5233 60.9759 62.2246 175.9860 95 K 4.0214 7.9028 121.9644 59.0528 31.9607 178.7413 96 E 3.9278 8.4607 119.4683 59.1427 29.3826 178.9737 97 L 3.8093 8.1892 120.8899 58.0958 42.0179 179.0966 98 Q 3.9020 8.0283 117.9404 58.4786 28.5475 178.2729 99 A 3.9083 8.2670 122.0229 55.2519 18.5990 179.5292 100 A 3.8564 7.8475 119.1796 55.1855 18.4630 179.7446 101 Q 3.6906 8.1296 117.8552 59.1709 29.0906 177.8333 102 A 3.9563 7.9600 121.9843 55.4986 18.2701 179.7000 103 R 3.8088 8.1394 116.2932 59.3857 30.2185 178.6740 104 L 3.9918 7.7420 119.8099 58.4442 41.8665 179.4528 105 G 3.5054 7.9278 104.5350 47.8000 0.0000 175.6277 106 A 4.0170 8.2796 123.5286 54.7137 17.9709 179.5712 107 D 4.3267 8.2251 117.8739 57.8163 40.9149 178.7125 108 M 4.2393 8.1311 119.2042 58.4827 31.9091 178.6765 109 E 4.0296 8.5464 118.9922 59.6167 29.6592 179.1586 110 D 4.4993 8.2999 119.0133 57.1714 40.8028 179.0707 111 V 3.5454 8.0741 118.7976 66.3292 31.7967 177.6561 112 C 4.1722 8.3922 116.6244 62.9050 27.9778 176.2450 113 G 3.8492 8.6319 107.4954 48.2340 0.0000 175.6559 114 R 3.9654 8.0168 121.2157 58.9239 30.0479 178.5889 115 L 4.0623 8.0386 119.0866 57.3966 41.5583 179.5320 116 V 3.5525 7.7451 117.9247 66.1293 31.5457 177.5169 117 Q 3.9849 8.2013 119.3188 59.7386 28.7412 178.2524 118 Y 4.5821 8.0355 121.4619 60.1932 38.8795 177.7495 119 R 3.8410 8.1330 119.8586 59.4358 30.0653 178.7325 120 G 3.5558 8.1958 105.3443 47.8177 0.0000 175.4850 121 E 3.8991 8.2032 121.2078 58.9467 29.2269 179.4510 122 V 3.3353 7.2305 117.1066 66.2893 31.9636 177.7643 123 Q 4.0512 7.8041 117.1561 58.9489 28.3059 178.8154 124 A 4.0840 7.9015 120.7591 54.9056 18.7893 179.2328 125 M 4.0712 7.8925 117.3098 56.0801 31.7540 176.9140 126 L 3.7751 8.3350 117.0891 55.9944 39.4438 175.5611 127 G 3.9819 8.4525 107.8411 45.4936 0.0000 174.6884 128 Q 4.2153 7.3520 117.7603 54.9381 29.4298 175.7916 129 S 4.1366 8.4705 114.0427 59.4528 62.7338 174.3112 130 T 4.5321 8.3282 116.2916 61.6288 69.0761 176.0060 131 E 3.9052 8.0005 124.1615 60.0083 29.6743 178.5817 132 E 3.9728 8.2104 117.9834 59.5073 29.5176 179.1363 133 L 4.0560 7.9827 118.2988 58.0124 41.6754 179.5216 134 R 3.8241 8.4326 118.2200 59.2699 29.9593 179.3037 135 V 3.5274 7.7126 117.5870 66.0863 31.5919 178.2706 136 R 3.8927 7.8881 117.7164 59.0591 29.9029 178.6028 137 L 3.8319 8.5526 120.1765 58.1953 42.0262 178.5747 138 A 3.8919 8.0220 120.9504 55.5153 18.1965 179.8579 139 S 4.0930 8.2296 112.5367 61.6931 63.0317 176.2225 140 H 4.2273 8.2495 121.8940 58.9959 29.6097 176.8032 141 L 3.8527 8.2960 122.6346 58.2702 41.6995 179.0328 142 R 3.9261 8.0093 118.5009 59.4025 30.0605 178.6489 143 K 4.0146 7.9369 117.9821 59.5316 31.9839 179.3700 144 L 4.1039 8.2401 119.3907 57.8056 41.4287 179.7666 145 R 4.2456 8.4174 118.3860 59.1630 29.9706 179.0171 146 Q 4.1380 8.4774 118.2198 58.9714 28.7283 178.8089 147 R 3.9074 8.1989 119.6206 59.3555 30.1314 178.0240 148 L 4.2787 8.1564 121.5273 57.5689 42.0056 178.7710 149 L 3.5640 8.4205 120.6149 57.9459 42.0297 179.0189 150 R 3.8930 8.1250 116.1141 59.6160 29.2022 178.6325 151 D 4.3604 8.4021 119.4045 56.7934 40.6632 178.6203 152 A 4.0466 8.0841 121.6601 55.0589 18.3572 179.2356 153 D 4.2187 8.2754 116.7716 57.4115 41.2717 177.9328 154 D 4.2979 8.1736 118.5717 57.3791 41.2180 177.9657 155 L 3.8608 8.1783 121.0371 58.1110 41.9901 178.6913 156 Q 4.2141 8.5404 119.8717 59.2392 28.4821 178.4706 157 K 4.0798 8.2261 119.5915 59.4528 32.1800 179.6520 158 R 3.9973 8.2887 118.6510 59.1839 29.7390 179.0839 159 L 3.9894 8.0191 117.9451 57.6578 41.6989 179.1347 160 A 4.2546 7.9807 119.6886 54.5835 18.3465 179.5053 161 V 3.7249 7.3707 115.8459 66.0554 31.6891 175.7470 162 Y 4.3286 7.8018 122.5598 57.9222 38.7905 175.1829 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 23 G 8.35 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 0.00 0.00 0.00 24 Q 8.06 3.79 0.00 1.87 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 1.91 1.60 0.00 25 R 8.31 3.88 0.00 1.87 2.09 0.00 3.16 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 26 W 8.04 4.24 0.00 3.52 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 6.90 2.92 0.00 1.61 1.46 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 1.47 1.47 0.00 28 L 7.72 3.89 0.00 1.82 1.66 0.86 0.65 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 29 A 8.04 3.99 1.44 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 30 L 8.16 4.10 0.00 1.81 1.65 1.00 0.99 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 31 G 8.27 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 0.00 0.00 0.00 32 R 8.13 4.04 0.00 2.12 2.07 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 33 F 8.41 4.19 0.00 3.13 3.38 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 34 W 9.17 4.42 0.00 3.58 3.31 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 35 D 8.76 4.30 0.00 2.77 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 36 Y 8.08 3.91 0.00 3.20 2.97 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 37 L 7.96 3.84 0.00 1.43 1.46 0.81 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.59 3.61 0.00 1.42 1.91 0.00 3.24 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 39 W 8.08 4.19 0.00 3.17 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 40 V 7.73 2.82 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 0.80 0.00 0.00 0.81 0.00 0.00 41 Q 7.67 3.75 0.00 1.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 42 T 7.75 3.79 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 1.19 0.00 0.00 43 L 7.58 3.65 0.00 1.60 1.59 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 S 6.83 4.29 0.00 3.87 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.63 3.89 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 46 Q 8.03 3.96 0.00 2.27 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 47 V 7.12 2.91 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 -0.72 0.00 0.00 48 Q 7.75 3.91 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 49 E 8.28 4.09 0.00 2.19 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 0.00 2.34 2.45 0.00 50 E 8.73 4.17 0.00 2.10 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 0.00 2.55 2.63 0.00 51 L 7.87 3.95 0.00 1.89 1.90 0.65 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.55 4.41 0.00 1.57 1.71 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.59 4.59 0.00 4.00 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 54 S 8.44 4.65 0.00 4.09 4.14 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 0.00 0.00 0.00 0.00 55 Q 7.68 3.98 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 56 V 8.08 4.27 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 1.52 0.00 0.00 1.07 0.00 0.00 57 T 7.94 3.95 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 58 Q 8.53 3.95 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 59 E 8.26 3.82 0.00 1.68 1.57 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 2.29 2.55 0.00 60 L 7.91 3.76 0.00 1.74 1.82 0.94 0.51 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 61 R 7.97 3.96 0.00 2.08 2.11 0.00 3.12 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 62 A 8.19 4.01 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 L 8.04 3.99 0.00 2.10 1.96 0.70 0.60 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 64 M 8.51 3.81 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 65 D 8.28 4.38 0.00 2.96 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 66 E 8.26 3.94 0.00 2.08 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 2.34 2.38 0.00 67 T 8.18 4.00 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 1.44 0.00 0.00 68 M 8.15 4.05 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 69 K 8.28 3.88 0.00 2.06 1.92 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 70 E 8.31 4.05 0.00 2.17 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 0.00 2.57 2.52 0.00 71 L 8.26 3.89 0.00 1.90 1.76 -0.40 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.40 3.95 0.00 2.04 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.55 7.81 73 A 8.30 4.09 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 74 Y 8.46 4.19 0.00 3.05 3.15 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 75 K 8.20 3.71 0.00 1.72 1.86 0.00 1.61 0.00 0.00 1.37 0.00 0.00 2.74 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.33 7.81 76 S 7.59 4.11 0.00 3.87 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 0.00 77 E 8.21 4.12 0.00 2.19 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 0.00 2.35 2.53 0.00 78 L 7.73 3.89 0.00 1.81 1.67 0.70 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.02 4.06 0.00 2.22 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 2.36 2.45 0.00 80 E 7.88 4.43 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 2.29 2.47 0.00 81 Q 7.99 4.51 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.90 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 82 L 7.57 4.25 0.00 1.51 1.43 0.76 0.43 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 83 T 7.96 4.43 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 1.18 0.00 0.00 84 P 0.00 4.61 0.00 2.12 2.00 0.00 3.41 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 85 V 7.80 4.44 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 0.73 0.00 0.00 0.91 0.00 0.00 86 A 8.41 3.82 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 87 E 8.98 3.78 0.00 2.00 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 2.38 2.35 0.00 88 E 8.35 3.94 0.00 2.19 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 2.37 2.38 0.00 89 T 7.72 3.87 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 1.21 0.00 0.00 90 R 7.97 3.82 0.00 1.83 2.04 0.00 3.28 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 91 A 7.84 4.02 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 92 R 7.76 3.81 0.00 1.85 2.18 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 93 L 8.19 4.00 0.00 2.03 1.96 0.98 0.89 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 94 S 8.68 4.10 0.00 4.03 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 95 K 7.90 4.02 0.00 2.06 1.76 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 96 E 8.46 3.93 0.00 2.25 1.94 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 2.31 2.30 0.00 97 L 8.19 3.81 0.00 1.46 1.50 0.62 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.03 3.90 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 99 A 8.27 3.91 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 0.00 100 A 7.85 3.86 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 0.00 101 Q 8.13 3.69 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 102 A 7.96 3.96 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 0.00 103 R 8.14 3.81 0.00 2.07 1.98 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 104 L 7.74 3.99 0.00 1.74 1.75 0.94 0.92 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 0.00 105 G 7.93 3.51 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 0.00 106 A 8.28 4.02 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 0.00 107 D 8.23 4.33 0.00 2.91 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 0.00 108 M 8.13 4.24 0.00 1.82 2.06 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.00 0.00 109 E 8.55 4.03 0.00 2.11 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 0.00 2.35 2.51 0.00 110 D 8.30 4.50 0.00 2.94 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 0.00 111 V 8.07 3.55 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.14 0.00 0.00 112 C 8.39 4.17 0.00 3.08 3.04 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 0.00 113 G 8.63 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.02 3.97 0.00 2.03 2.04 0.00 3.20 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 115 L 8.04 4.06 0.00 1.94 1.73 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.75 3.55 2.30 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 1.02 0.00 0.00 1.03 0.00 0.00 117 Q 8.20 3.98 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 118 Y 8.04 4.58 0.00 3.05 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 0.00 119 R 8.13 3.84 0.00 2.00 2.13 0.00 3.16 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 120 G 8.20 3.56 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 0.00 0.00 0.00 121 E 8.20 3.90 0.00 1.90 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 2.33 2.60 0.00 122 V 7.23 3.34 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 0.66 0.00 0.00 0.08 0.00 0.00 123 Q 7.80 4.05 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 124 A 7.90 4.08 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 0.00 125 M 7.89 4.07 0.00 2.03 2.28 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 2.55 2.86 0.00 126 L 8.34 3.78 0.00 1.83 1.78 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.45 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 0.00 128 Q 7.35 4.22 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 129 S 8.47 4.14 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 8.33 4.53 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 1.20 0.00 0.00 131 E 8.00 3.91 0.00 2.14 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 2.40 0.00 132 E 8.21 3.97 0.00 2.02 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 2.41 2.36 0.00 133 L 7.98 4.06 0.00 1.96 1.96 0.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.43 3.82 0.00 1.96 1.93 0.00 3.08 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 135 V 7.71 3.53 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 1.10 0.00 0.00 0.95 0.00 0.00 136 R 7.89 3.89 0.00 2.08 1.98 0.00 3.20 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 137 L 8.55 3.83 0.00 1.63 1.65 0.79 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.02 3.89 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 0.00 139 S 8.23 4.09 0.00 4.06 4.12 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 0.00 0.00 0.00 140 H 8.25 4.23 0.00 3.32 3.42 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.30 3.85 0.00 1.91 1.82 0.85 0.67 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 0.00 142 R 8.01 3.93 0.00 2.12 1.98 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 143 K 7.94 4.01 0.00 2.02 1.90 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.67 7.81 144 L 8.24 4.10 0.00 1.86 1.76 0.78 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 145 R 8.42 4.25 0.00 2.02 2.02 0.00 2.93 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 146 Q 8.48 4.14 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 147 R 8.20 3.91 0.00 1.90 1.99 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 148 L 8.16 4.28 0.00 2.10 2.19 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.42 3.56 0.00 1.63 1.79 0.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.13 3.89 0.00 2.09 2.18 0.00 2.84 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 151 D 8.40 4.36 0.00 2.96 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 0.00 152 A 8.08 4.05 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 0.00 153 D 8.28 4.22 0.00 2.75 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 0.00 154 D 8.17 4.30 0.00 2.92 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 0.00 155 L 8.18 3.86 0.00 1.69 1.84 0.62 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.54 4.21 0.00 2.51 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.46 2.72 0.00 157 K 8.23 4.08 0.00 2.03 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.50 7.81 158 R 8.29 4.00 0.00 1.88 1.90 0.00 3.05 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 159 L 8.02 3.99 0.00 1.88 1.93 0.57 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 160 A 7.98 4.25 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 0.00 161 V 7.37 3.72 2.37 0.00 0.00 0.00 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 1.01 0.00 0.00 162 Y 7.80 4.33 0.00 3.13 2.83 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