NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2112 8.1627 120.2820 54.7487 33.0396 174.1074 2 K 4.1073 8.5044 128.6517 56.0921 32.9162 174.6759 3 G 4.1776 8.8656 115.6768 44.1850 0.0000 171.8686 4 D 4.5633 8.4383 119.3644 53.9647 41.4986 177.8521 5 K 3.7889 9.0773 124.3167 60.0477 32.1827 178.9926 6 I 3.9768 7.6567 120.6438 63.5061 36.9675 178.4345 7 V 3.7265 7.7581 118.8228 66.2003 31.5164 178.0547 8 I 3.7188 8.0259 119.6536 64.3258 36.7175 178.4304 9 Q 3.9681 8.0016 119.0448 59.1372 28.4588 178.6081 10 H 4.1299 8.1225 117.0251 58.8411 28.7366 177.4724 11 L 3.9671 8.0908 121.0435 58.2210 41.5199 179.4379 12 N 4.2760 8.5805 116.2554 56.1788 38.1868 177.2541 13 K 3.8337 7.9815 120.7166 59.6888 32.1991 178.5434 14 I 3.7008 8.3286 120.3331 64.5154 37.0488 177.9619 15 L 4.0356 8.2345 121.1728 58.1544 41.9001 179.1231 16 G 3.6720 8.0399 105.5401 48.0103 0.0000 175.2035 17 N 4.3297 7.8437 118.5770 56.0295 38.5797 177.2563 18 E 3.8963 7.9036 119.7853 59.6067 29.5043 179.3468 19 L 4.0750 7.8072 118.7682 57.8772 41.5018 179.9662 20 I 3.6281 7.4985 118.9578 64.1748 37.0515 178.0172 21 A 3.3662 7.8890 121.8361 55.1204 18.1165 179.3045 22 I 3.5136 7.9331 118.3304 64.9595 37.2119 178.3456 23 N 4.3609 7.8268 116.7062 56.2685 38.4039 177.3301 24 Q 3.9115 8.1600 121.0813 59.6284 29.1304 178.1113 25 Y 4.4161 8.2777 118.0647 60.9113 37.8538 178.1668 26 F 3.9720 8.4504 121.9872 61.0791 39.5302 177.0201 27 L 3.9679 8.2861 120.1548 58.4545 41.8975 178.6802 28 H 3.9848 8.3598 116.0481 58.4624 28.5975 177.5681 29 A 4.1463 8.2874 122.9741 55.4965 18.1839 180.0202 30 R 3.7502 7.6275 116.3799 59.2672 30.1456 179.2491 31 M 3.4076 7.7235 118.5073 58.2904 31.7768 178.0384 32 Y 4.5076 7.6714 117.0641 61.6518 38.1697 179.0546 33 E 3.9926 8.3113 118.9515 59.3323 29.2756 178.8792 34 D 4.3838 7.9640 117.4016 56.1818 41.3438 177.3032 35 W 4.9742 7.8512 117.2704 56.7454 29.2780 176.9957 36 G 4.0044 8.1504 107.6538 45.6810 0.0000 174.3012 37 L 4.8892 8.2156 121.0996 52.6822 40.5428 176.7388 38 E 3.8868 8.3436 124.1706 59.7320 30.0539 179.2690 39 K 3.8257 7.9523 117.8213 59.8662 32.2286 179.1697 40 L 4.0137 7.8550 118.3262 57.8075 41.4095 179.4367 41 G 3.7712 8.5415 105.8242 48.0616 0.0000 175.5618 42 K 3.9349 8.3550 121.6709 59.1027 32.1298 178.9983 43 H 3.7561 7.9517 117.6910 59.2993 29.7222 177.2142 44 E 3.9489 8.1909 120.3449 59.3286 29.2426 178.7688 45 Y 4.0765 8.3158 120.0181 61.2086 38.9193 177.9998 46 H 4.0365 8.5837 117.4768 58.8017 28.7687 177.6699 47 E 3.8667 8.4479 120.8882 59.2290 29.0504 179.3411 48 S 4.2041 8.2284 113.4196 61.5811 62.5062 176.3472 49 I 3.5831 7.4583 122.4669 64.0954 36.7454 177.7803 50 D 4.2231 8.2932 119.3635 57.6229 41.0822 178.4323 51 E 3.9469 8.1948 118.5800 59.4097 29.3359 179.3766 52 M 4.0520 7.6457 119.1495 58.2394 32.0326 178.8712 53 K 4.0532 7.9852 118.6907 59.4437 32.2073 179.2664 54 H 4.2342 8.2014 116.5112 58.8963 28.5935 177.6301 55 A 4.0031 8.0092 122.5809 55.1195 18.2874 179.1022 56 D 4.2445 8.1687 116.5026 57.4788 41.3084 178.5960 57 K 3.9596 8.1722 118.9092 59.4403 32.0412 179.3504 58 L 3.9491 7.8720 118.8859 57.9314 41.5951 179.2895 59 I 3.6945 7.9470 119.9921 64.5823 37.0070 178.6158 60 K 3.9797 7.9640 118.5711 59.4921 31.8627 179.3391 61 R 4.0175 7.9525 118.9399 59.5322 29.9305 178.6085 62 I 3.7159 8.4223 119.7433 64.4156 37.1853 178.2591 63 L 3.9890 8.3302 120.2228 57.8896 41.2529 179.4532 64 F 4.3051 8.4386 119.5922 61.2754 39.8210 176.5945 65 L 4.3003 8.1058 117.1902 53.9528 41.1915 176.8267 66 E 4.0567 8.0044 117.5351 57.7337 27.1258 174.0161 67 G 4.0857 7.9882 108.1425 43.7206 0.0000 173.1556 68 L 4.5665 8.0548 119.0906 51.9245 42.6582 174.9899 69 P 4.3178 0.0000 0.0000 62.8605 31.7007 176.3384 70 N 4.7377 8.5144 121.3135 52.1140 38.3800 174.0610 71 L 4.3093 8.1021 124.0501 55.0721 42.1582 177.8018 72 Q 3.9217 7.6409 119.4920 59.2585 29.3988 175.8330 73 E 4.1489 8.6430 118.9558 55.8857 30.3546 176.3912 74 L 4.6156 8.2865 124.3351 53.0533 44.5552 176.7058 75 G 3.8930 8.4155 115.3548 44.1163 0.0000 172.4891 76 K 3.8229 8.4345 119.9949 56.7869 32.3605 176.7820 77 L 4.4757 7.9721 123.0436 53.0181 42.8501 176.0436 78 L 4.2659 8.3182 125.7780 54.8075 39.8568 176.0857 79 I 4.2917 8.0209 123.5637 59.8671 38.4723 176.1344 80 G 4.1412 8.6188 113.2016 44.3027 0.0000 172.7645 81 E 4.7068 9.8252 118.6629 56.7270 31.4242 176.8704 82 H 5.0319 7.5731 113.1290 52.9805 33.0873 173.7207 83 T 4.2195 8.6114 117.9996 67.3090 68.4265 176.1209 84 K 3.8245 8.2671 119.3244 59.9600 32.2117 178.7650 85 E 4.0655 7.8897 118.5269 59.4602 29.6237 178.4351 86 M 4.0436 8.6646 119.1328 58.3564 32.0058 178.7655 87 L 4.1259 8.7120 119.4748 57.8209 41.7605 179.4745 88 E 3.9968 8.0828 118.3644 59.6749 29.5549 179.1571 89 C 4.2738 8.6877 117.1192 63.0298 28.1777 175.9814 90 D 4.6650 8.3672 120.4407 56.9687 40.2203 178.4052 91 L 4.1593 7.8194 120.6614 57.5731 42.0511 178.7495 92 K 3.9328 8.5351 119.0467 59.3676 31.9229 178.5888 93 L 4.0293 7.8977 119.9885 58.5760 41.8680 178.8083 94 E 4.0829 8.1650 117.1909 58.7856 29.6501 178.0356 95 Q 4.3624 7.7962 117.1298 57.9772 29.4884 177.4888 96 A 4.2325 8.6830 120.7944 54.3536 18.5683 179.3659 97 G 3.7584 8.0449 104.4985 47.8846 0.0000 176.3925 98 L 3.7967 7.5876 121.2069 56.8466 41.1054 177.4695 99 P 4.2077 0.0000 0.0000 66.0445 31.2901 177.8819 100 D 4.5333 8.0428 117.1419 57.6742 40.8233 179.2908 101 L 3.9661 7.8868 118.2957 57.8747 41.7307 179.4863 102 K 3.9129 8.6130 118.3528 59.6697 32.0235 179.2985 103 A 4.0412 9.3031 121.2369 54.9381 18.1549 179.5572 104 A 3.8069 8.3171 119.9447 55.0901 18.5096 179.9567 105 I 3.6537 8.2734 118.6739 64.4434 37.1869 178.4689 106 A 4.0128 8.0444 121.7074 55.2510 18.2788 179.0949 107 Y 3.8155 7.7646 118.8950 60.4698 38.9217 177.8950 108 C 4.0868 8.3859 117.8396 62.8171 28.1353 175.9721 109 E 3.9125 8.1504 120.3007 59.5169 29.2350 179.6843 110 S 4.1277 8.0006 113.9716 60.4644 62.6273 175.8649 111 V 4.1927 6.8892 113.0082 60.3354 31.8388 176.5513 112 G 3.1312 7.3127 105.9141 46.1408 0.0000 175.4073 113 D 4.4934 7.3849 121.0935 52.8707 37.6825 176.0725 114 Y 4.2655 7.1723 121.4870 61.0041 38.4974 178.2324 115 A 4.0528 8.0867 121.1170 55.4288 18.5467 179.7169 116 S 4.1378 8.7908 114.0492 61.4899 62.7378 176.8374 117 R 3.8908 8.0058 121.4582 59.7387 29.9244 178.4612 118 E 3.7817 8.4206 118.2641 59.2236 29.2460 179.3120 119 L 3.9393 7.9592 120.4804 58.1145 42.1778 179.0516 120 L 3.9584 8.1750 119.1570 57.6413 41.5793 178.7261 121 E 3.9163 8.8190 120.0360 59.6377 29.4340 178.7888 122 D 4.3245 8.0220 118.3288 57.6493 40.8843 178.7894 123 I 3.5173 7.4480 120.0876 64.2199 37.1008 178.2193 124 L 3.9342 8.2496 121.5418 58.2538 41.7091 178.9803 125 E 3.9863 8.0095 117.3103 59.3222 29.6056 178.8951 126 S 4.2187 8.0694 113.1968 61.5712 62.4762 176.0624 127 E 3.9115 8.4438 121.4425 59.5071 29.2871 179.0912 128 E 4.1689 8.2148 117.4526 58.5906 29.3381 178.3683 129 D 4.6581 8.2333 118.9084 56.3729 41.3953 178.3909 130 H 4.4636 8.0401 116.7756 58.7885 28.8101 177.6344 131 I 3.9013 7.9916 121.8683 64.1859 36.9482 177.7746 132 D 4.3464 8.1316 118.8024 57.1688 40.9980 178.1818 133 W 4.0501 8.0650 128.7174 60.4108 30.7263 177.8978 134 L 3.8147 8.1152 118.4190 57.9929 41.1793 179.3770 135 E 3.9316 8.7239 118.7190 59.6225 29.2315 179.6819 136 T 3.7489 7.9378 115.8291 66.5715 68.4915 176.6019 137 Q 3.5701 7.5541 119.9590 58.8235 28.1154 179.0023 138 L 3.7188 7.4537 119.6986 57.8770 41.6523 179.3701 139 D 4.4359 7.9469 118.6237 57.4025 40.8672 178.7939 140 L 3.9384 7.9969 119.6911 57.8845 41.5584 179.6390 141 I 3.5691 7.2802 119.6884 64.2313 36.6917 178.2680 142 D 4.2610 7.2976 117.8700 57.4630 40.8831 178.8802 143 K 4.1541 7.9756 117.3813 58.4287 32.0848 177.6458 144 I 4.4555 7.5226 108.6335 59.2420 39.1139 175.1484 145 G 4.0015 8.4194 111.4567 46.1669 0.0000 173.6671 146 L 3.9292 8.5493 124.8802 58.5555 42.0453 179.1931 147 E 3.9245 8.2679 116.5989 59.7149 28.9642 178.8849 148 N 4.3446 8.0249 116.0625 56.0872 39.1101 176.1534 149 Y 4.2233 8.2776 121.2029 60.7328 38.8070 178.0981 150 L 3.7839 8.1800 119.9046 58.0866 41.9479 179.2005 151 Q 3.8834 7.9021 118.8991 59.6332 28.5370 178.9803 152 S 4.2505 7.6203 115.1508 60.8826 63.2128 175.5553 153 Q 4.1970 7.8351 119.1149 57.0564 28.4512 177.4175 154 M 4.3666 7.6438 121.6213 56.3133 31.7015 176.0799 155 D 4.6738 7.7281 124.2636 54.6199 41.3116 176.6845 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 8.16 4.21 0.00 1.43 1.79 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 2 K 8.50 4.11 0.00 1.82 1.65 0.00 1.77 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.41 7.81 3 G 8.87 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 0.00 0.00 0.00 0.00 4 D 8.44 4.56 0.00 2.78 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 5 K 9.08 3.79 0.00 1.80 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.52 7.81 6 I 7.66 3.98 1.92 0.00 0.00 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 1.59 1.63 0.12 0.00 0.00 7 V 7.76 3.73 2.31 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 1.29 0.00 0.00 1.17 0.00 0.00 8 I 8.03 3.72 2.00 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 1.52 0.52 0.90 0.00 0.00 9 Q 8.00 3.97 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 10 H 8.12 4.13 0.00 3.33 3.30 0.00 5.65 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 11 L 8.09 3.97 0.00 1.99 1.76 1.00 1.03 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 12 N 8.58 4.28 0.00 2.92 2.85 0.00 0.00 6.72 7.06 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 13 K 7.98 3.83 0.00 1.87 2.00 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.48 7.81 14 I 8.33 3.70 2.03 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 1.62 1.25 0.91 0.00 0.00 15 L 8.23 4.04 0.00 1.82 1.87 0.96 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.04 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.84 4.33 0.00 3.00 2.88 0.00 0.00 7.06 7.33 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 18 E 7.90 3.90 0.00 2.04 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 2.54 2.52 0.00 19 L 7.81 4.07 0.00 1.83 1.69 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.50 3.63 1.99 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 1.42 0.88 0.95 0.00 0.00 21 A 7.89 3.37 0.99 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 22 I 7.93 3.51 1.94 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 1.43 0.93 0.83 0.00 0.00 23 N 7.83 4.36 0.00 2.71 2.85 0.00 0.00 6.77 8.41 0.00 0.00 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 8.16 3.91 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.33 0.00 25 Y 8.28 4.42 0.00 2.94 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 26 F 8.45 3.97 0.00 3.41 3.23 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 27 L 8.29 3.97 0.00 1.90 1.77 0.89 0.92 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 28 H 8.36 3.98 0.00 3.32 3.09 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.29 4.15 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 30 R 7.63 3.75 0.00 1.69 1.84 0.00 3.11 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.68 0.00 31 M 7.72 3.41 0.00 0.83 1.57 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.18 0.00 32 Y 7.67 4.51 0.00 3.21 2.99 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 33 E 8.31 3.99 0.00 1.95 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 2.57 0.00 34 D 7.96 4.38 0.00 2.54 2.54 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 0.00 0.00 0.00 0.00 35 W 7.85 4.97 0.00 3.77 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 36 G 8.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.89 0.00 2.13 1.65 1.08 1.34 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 38 E 8.34 3.89 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 39 K 7.95 3.83 0.00 1.79 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.80 7.81 40 L 7.85 4.01 0.00 1.54 0.75 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.54 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 0.00 0.00 0.00 42 K 8.35 3.93 0.00 1.74 1.77 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.55 7.81 43 H 7.95 3.76 0.00 3.06 2.93 0.00 5.79 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 E 8.19 3.95 0.00 2.34 2.27 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 2.60 3.08 0.00 45 Y 8.32 4.08 0.00 3.05 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 46 H 8.58 4.04 0.00 3.09 3.19 0.00 5.69 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 47 E 8.45 3.87 0.00 1.92 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 2.05 2.01 0.00 48 S 8.23 4.20 0.00 4.13 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 49 I 7.46 3.58 1.80 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 0.99 0.18 0.79 0.00 0.00 50 D 8.29 4.22 0.00 2.90 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 51 E 8.19 3.95 0.00 2.07 1.89 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 2.66 2.29 0.00 52 M 7.65 4.05 0.00 1.95 2.24 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.50 0.00 53 K 7.99 4.05 0.00 1.94 1.86 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.61 7.81 54 H 8.20 4.23 0.00 3.45 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.01 4.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.17 4.24 0.00 2.97 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 57 K 8.17 3.96 0.00 2.02 1.85 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.65 7.81 58 L 7.87 3.95 0.00 1.89 1.72 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.95 3.69 2.00 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 1.52 0.83 0.91 0.00 0.00 60 K 7.96 3.98 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.61 7.81 61 R 7.95 4.02 0.00 1.98 2.11 0.00 3.31 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 62 I 8.42 3.72 2.03 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 1.54 0.66 0.94 0.00 0.00 63 L 8.33 3.99 0.00 2.03 1.79 0.93 0.97 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 64 F 8.44 4.31 0.00 2.98 3.37 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 0.00 0.00 0.00 0.00 65 L 8.11 4.30 0.00 2.04 1.63 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.00 4.06 0.00 2.04 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 2.16 2.25 0.00 67 G 7.99 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 68 L 8.05 4.57 0.00 1.59 1.59 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.32 0.00 2.03 1.99 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 70 N 8.51 4.74 0.00 2.67 2.71 0.00 0.00 7.16 7.61 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 71 L 8.10 4.31 0.00 1.65 1.67 0.90 0.95 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 72 Q 7.64 3.92 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 73 E 8.64 4.15 0.00 2.00 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 2.33 2.23 0.00 74 L 8.29 4.62 0.00 1.52 1.49 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.42 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 76 K 8.43 3.82 0.00 1.73 1.76 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 77 L 7.97 4.48 0.00 1.55 1.52 0.91 0.97 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 78 L 8.32 4.27 0.00 1.76 1.70 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.02 4.29 1.91 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 1.59 0.79 0.94 0.00 0.00 80 G 8.62 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 0.00 0.00 0.00 81 E 9.83 4.71 0.00 2.09 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 0.00 2.33 2.42 0.00 82 H 7.57 5.03 0.00 3.23 3.25 0.00 5.50 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.61 4.22 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 1.47 0.00 0.00 84 K 8.27 3.82 0.00 1.93 1.90 0.00 1.66 0.00 0.00 2.02 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.62 7.81 85 E 7.89 4.07 0.00 1.72 1.72 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 2.34 2.37 0.00 86 M 8.66 4.04 0.00 1.69 2.29 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.39 0.00 87 L 8.71 4.13 0.00 2.02 1.70 1.13 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.08 4.00 0.00 2.20 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 2.32 2.51 0.00 89 C 8.69 4.27 0.00 3.03 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 90 D 8.37 4.66 0.00 2.93 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 91 L 7.82 4.16 0.00 1.91 1.87 0.97 0.57 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 92 K 8.54 3.93 0.00 1.99 1.89 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.75 7.81 93 L 7.90 4.03 0.00 1.94 1.85 0.98 0.81 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 94 E 8.17 4.08 0.00 2.44 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 2.50 2.55 0.00 95 Q 7.80 4.36 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 96 A 8.68 4.23 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 97 G 8.04 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.80 0.00 1.87 1.74 0.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.21 0.00 2.17 2.14 0.00 3.67 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 2.14 2.23 0.00 100 D 8.04 4.53 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.97 0.00 1.86 1.72 0.92 0.93 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 0.00 102 K 8.61 3.91 0.00 2.03 1.88 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 103 A 9.30 4.04 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 0.00 104 A 8.32 3.81 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 0.00 105 I 8.27 3.65 2.02 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 1.47 0.84 0.93 0.00 0.00 106 A 8.04 4.01 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 0.00 107 Y 7.76 3.82 0.00 3.18 3.08 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 0.00 108 C 8.39 4.09 0.00 3.14 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 0.00 109 E 8.15 3.91 0.00 2.27 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 2.40 2.51 0.00 110 S 8.00 4.13 0.00 3.88 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 0.00 111 V 6.89 4.19 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 0.17 0.00 0.00 0.86 0.00 0.00 112 G 7.31 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 0.00 0.00 0.00 113 D 7.38 4.49 0.00 2.67 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.17 4.27 0.00 3.09 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 0.00 115 A 8.09 4.05 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 0.00 116 S 8.79 4.14 0.00 4.08 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 0.00 117 R 8.01 3.89 0.00 1.94 2.24 0.00 3.18 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 118 E 8.42 3.78 0.00 2.05 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 2.38 2.49 0.00 119 L 7.96 3.94 0.00 1.83 1.89 0.93 0.66 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 0.00 120 L 8.18 3.96 0.00 1.90 1.70 0.94 0.94 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 0.00 121 E 8.82 3.92 0.00 2.17 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 2.33 2.54 0.00 122 D 8.02 4.32 0.00 2.90 2.69 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 0.00 0.00 0.00 0.00 123 I 7.45 3.52 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.76 0.73 0.00 0.00 124 L 8.25 3.93 0.00 1.77 1.96 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.01 3.99 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 2.35 2.60 0.00 126 S 8.07 4.22 0.00 3.93 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 0.00 127 E 8.44 3.91 0.00 2.15 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 2.63 2.53 0.00 128 E 8.21 4.17 0.00 2.21 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 2.36 2.37 0.00 129 D 8.23 4.66 0.00 2.91 2.77 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 H 8.04 4.46 0.00 3.43 3.50 0.00 5.63 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 0.00 131 I 7.99 3.90 1.94 0.00 0.00 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 1.50 0.89 0.96 0.00 0.00 132 D 8.13 4.35 0.00 3.04 2.77 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 0.00 133 W 8.06 4.05 0.00 3.48 3.43 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 0.00 134 L 8.12 3.81 0.00 2.01 1.75 1.05 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.72 3.93 0.00 1.93 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 2.63 0.00 136 T 7.94 3.75 4.20 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 1.08 0.00 0.00 137 Q 7.55 3.57 0.00 1.62 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 138 L 7.45 3.72 0.00 1.73 1.60 0.87 1.01 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 0.00 139 D 7.95 4.44 0.00 2.91 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 0.00 140 L 8.00 3.94 0.00 1.84 1.61 0.88 0.95 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 0.00 141 I 7.28 3.57 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.04 0.80 0.00 0.00 142 D 7.30 4.26 0.00 2.83 2.68 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 0.00 0.00 0.00 0.00 143 K 7.98 4.15 0.00 1.70 1.86 0.00 1.61 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.56 7.81 144 I 7.52 4.46 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.71 0.92 0.00 0.00 145 G 8.42 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.55 3.93 0.00 1.75 1.69 0.96 0.88 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 0.00 147 E 8.27 3.92 0.00 2.19 2.21 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 2.37 2.36 0.00 148 N 8.02 4.34 0.00 3.01 2.94 0.00 0.00 6.83 7.46 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 0.00 149 Y 8.28 4.22 0.00 3.01 3.14 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 0.00 150 L 8.18 3.78 0.00 1.86 1.70 0.91 1.35 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 0.00 151 Q 7.90 3.88 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 152 S 7.62 4.25 0.00 3.84 3.78 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 0.00 153 Q 7.84 4.20 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 154 M 7.64 4.37 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 155 D 7.73 4.67 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00