NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6101 8.2893 120.3235 55.2165 34.3095 176.6136 2 E 4.5749 8.4124 131.4361 54.9901 32.7748 172.3175 3 L 4.8805 8.7766 118.0403 53.5398 44.4808 176.7211 4 V 4.8328 7.8821 120.5039 61.0580 34.4518 174.5368 5 S 4.6059 8.4532 122.9278 58.0952 64.3572 173.9050 6 V 5.4997 9.8932 116.6410 58.1001 32.4834 174.0299 7 A 4.9539 8.6805 125.0858 49.7581 22.8855 174.8198 8 A 5.2774 8.3670 120.7901 50.1130 21.4881 175.6834 9 L 5.1329 9.1856 120.8428 54.7007 44.2009 175.6747 10 A 4.7769 8.2167 122.3536 50.7529 18.7119 178.1227 11 E 3.9337 8.3320 119.2768 59.5857 29.9921 176.1461 12 N 4.2012 9.2978 120.6348 53.1124 37.7080 175.0480 13 R 3.5510 7.7559 112.4609 57.0293 28.1993 176.8440 14 V 4.4382 7.2866 116.3766 61.7550 31.2409 175.7660 15 I 3.8615 8.1372 129.0918 63.3909 37.8895 177.5598 16 G 4.2807 7.2358 107.3309 45.7885 0.0000 171.4305 17 R 4.2195 8.2416 115.1998 58.2093 32.1231 177.4826 18 D 4.5176 7.9205 116.4800 56.5531 42.8199 177.2058 19 G 4.1939 8.0587 102.2171 45.4702 0.0000 173.5150 20 E 4.0284 9.4914 117.4715 58.3825 30.6897 177.9730 21 L 4.3652 7.1429 117.6840 52.6223 42.9759 173.9033 22 P 4.1105 0.0000 0.0000 64.1889 31.8846 176.7307 23 W 4.4184 7.2436 115.9231 55.0281 29.1365 174.5399 24 P 4.1624 0.0000 0.0000 64.6703 30.8670 176.1494 25 S 5.7018 8.0861 126.0924 56.8489 65.1834 176.7959 26 I 3.9773 8.1138 120.8929 60.3467 39.2614 174.8645 27 P 4.2955 0.0000 0.0000 66.0247 31.1915 178.7857 28 A 4.0350 8.0779 119.3889 55.3978 18.2147 178.7027 29 D 4.4664 8.5816 116.2972 57.6698 41.1766 178.2402 30 K 4.2500 8.4079 119.7090 58.8533 32.2122 179.0035 31 K 4.0541 8.5417 120.6493 59.2077 32.1567 178.4546 32 Q 3.9647 8.4163 119.8318 59.5283 28.9263 177.1934 33 Y 4.0904 8.1106 120.5160 61.2155 38.5471 178.5962 34 R 3.7330 7.8900 118.0928 58.6893 30.1895 178.6028 35 S 4.2920 8.1138 113.2706 60.5814 62.9367 175.5911 36 R 3.8819 7.9760 122.0661 57.3043 30.1475 177.4395 37 V 4.0263 7.9955 110.8025 61.5428 32.3200 178.1260 38 A 4.1561 7.3669 123.0377 54.4578 17.9508 179.4758 39 D 4.2847 7.9224 116.3314 57.1725 41.3257 176.5308 40 D 4.8870 7.7585 117.0486 52.6322 42.4784 175.1216 41 P 4.7165 0.0000 0.0000 62.6894 33.0029 175.2551 42 V 4.7489 8.7384 123.3089 61.2284 34.3246 174.5224 43 V 4.9340 8.6195 121.7753 59.7805 33.6681 175.0505 44 L 4.8719 9.3107 125.5395 54.9076 45.0551 174.7552 45 G 4.4544 8.6113 106.3063 45.2836 0.0000 174.6407 46 R 4.2180 8.5927 117.2078 59.4322 29.9942 178.1256 47 T 3.8379 8.1787 115.1621 67.5284 68.3730 175.9643 48 T 3.8239 7.7921 110.5315 65.0749 68.8354 176.1407 49 F 3.9089 8.1988 122.9920 60.8121 39.1752 177.0304 50 E 3.9937 8.2780 117.5453 60.0246 29.4030 178.4364 51 S 4.0048 8.1482 112.7885 61.6407 62.1766 175.3265 52 M 4.3696 8.0607 124.9750 56.3025 31.9617 177.9584 53 R 3.7409 7.3142 119.3512 60.1363 30.0905 175.7774 54 D 4.3011 8.2657 118.0776 55.1050 41.9220 175.1881 55 D 4.6210 7.6422 120.2964 53.1058 41.6283 176.2657 56 L 4.3678 8.2103 124.8429 53.3882 42.2524 174.2580 57 P 4.5577 0.0000 0.0000 62.6145 32.6885 178.8307 58 G 4.6208 7.4060 113.8224 43.0229 0.0000 172.8746 59 S 4.3642 8.8337 114.5944 60.8070 63.1954 174.4759 60 A 4.9469 7.8553 119.7275 50.8746 23.4213 174.8350 61 Q 4.8337 8.8824 119.3195 54.6886 31.2858 173.1158 62 I 4.7857 9.1597 127.5170 59.9001 39.5498 174.9094 63 V 5.1278 8.2405 126.6321 60.7323 33.1599 175.0205 64 M 4.4715 8.8103 128.6120 55.8145 30.8706 175.3612 65 S 4.4856 8.6864 117.7083 56.8083 66.4367 172.9110 66 R 4.7259 8.0962 114.4261 55.4164 29.9404 174.9974 67 S 4.5218 7.5418 113.8486 57.2498 64.9669 174.8831 68 E 4.0532 8.3935 117.4795 56.6223 29.0229 178.4264 69 R 3.1933 7.2844 118.1747 55.6384 29.3766 172.5873 70 S 3.5510 8.1724 119.8934 58.7992 59.2785 170.1741 71 F 5.1012 7.9834 120.3629 57.9064 41.8942 176.1718 72 S 4.8587 7.6726 118.1279 59.9221 70.0800 175.3851 73 V 4.0084 7.4986 120.4676 61.0919 32.3990 176.0462 74 D 4.5127 8.6963 121.6897 57.9300 41.0342 178.2714 75 T 4.5019 7.7623 110.1447 61.1557 68.2223 174.5605 76 A 5.1617 7.7018 122.5228 52.2438 22.6042 176.1535 77 H 5.0146 9.6663 118.7174 54.7963 34.4652 172.3460 78 R 5.0277 8.4622 118.8983 54.7003 32.6105 174.1126 79 A 4.5427 8.6444 127.8248 51.0897 19.8485 178.1433 80 A 4.2666 9.0072 124.6408 53.4414 19.5630 176.8426 81 S 4.5906 7.3429 105.6978 56.2271 66.3846 174.5662 82 V 3.3617 8.1816 117.9073 66.4583 31.0965 177.8173 83 E 3.9215 8.1318 117.9464 59.9727 29.3292 179.4749 84 E 3.9459 8.5042 118.0045 59.0794 29.4611 179.4127 85 A 4.0192 7.9743 120.6913 55.0532 18.4948 179.8050 86 V 3.5076 8.1895 117.0977 66.3894 31.7031 177.8154 87 D 4.3970 8.3289 119.0580 57.4293 40.1397 179.0689 88 I 3.7002 7.8387 113.2711 63.8006 37.1560 178.0556 89 A 3.9746 7.9729 122.3630 55.0098 18.0718 179.6052 90 A 4.1490 7.9364 117.4863 55.2279 18.4303 179.7347 91 S 4.2352 7.9906 113.5806 61.6630 62.8610 176.1249 92 L 4.3708 7.6054 121.6962 55.1115 41.2163 177.4947 93 D 5.2446 7.1218 133.2736 53.3756 44.1426 175.5003 94 A 4.6209 7.7631 124.0317 50.9780 22.3918 176.5063 95 E 4.1022 9.0113 122.8121 59.1782 30.0055 177.2193 96 T 4.7959 7.5863 106.2864 59.9640 71.6124 172.6569 97 A 4.8276 8.0821 123.2283 50.5474 23.3776 173.5810 98 Y 5.4632 8.7834 115.2509 55.7563 42.6875 175.3607 99 V 4.7866 7.9649 111.9490 60.5081 35.1610 175.6347 100 I 4.0984 8.3484 127.8852 62.3992 36.8801 179.1042 101 G 4.0909 8.7990 110.8078 44.9854 0.0000 172.3513 102 G 4.2074 8.5588 105.3793 43.9683 0.0000 173.3550 103 A 3.8287 8.7374 127.8543 55.0350 18.7292 178.3934 104 A 4.5039 7.9233 116.6526 53.3864 20.2587 178.7680 105 I 4.0312 7.0952 118.3287 64.1757 37.1808 177.5759 106 Y 4.1311 8.2145 116.5128 61.6143 37.6215 179.0520 107 A 4.0676 8.0663 119.9028 54.3659 18.5512 178.8668 108 L 4.2097 7.8437 117.7158 58.5971 41.3714 178.9980 109 F 4.2054 9.2174 119.1996 59.9430 38.5289 178.3608 110 Q 3.4103 7.8378 116.8044 58.4382 28.6683 177.4411 111 P 4.6071 0.0000 0.0000 64.6608 31.5642 176.5324 112 H 4.7628 8.2424 114.4088 55.8319 29.2314 175.5188 113 L 4.3214 7.7808 120.1473 54.4359 42.0237 175.9627 114 D 4.6441 8.5895 123.4372 57.3430 41.7383 176.3062 115 R 4.8005 7.7894 115.2867 54.9600 35.4350 173.8520 116 M 4.8905 8.9769 122.4175 52.9279 31.7186 174.0020 117 V 4.4191 8.5694 122.3027 62.8592 33.2158 174.3801 118 L 5.4503 9.8106 129.2250 53.5684 46.6945 175.2035 119 S 4.6489 8.6514 116.9343 56.9244 66.4324 174.1299 120 R 4.5596 9.2854 126.5661 55.1745 30.2086 175.1952 121 V 4.3612 8.4474 124.9086 60.4315 33.1887 174.4361 122 P 4.4826 0.0000 0.0000 61.5469 32.5977 174.2773 123 G 4.0549 9.1304 105.9437 45.1240 0.0000 169.8443 124 E 3.5358 7.7614 125.8567 55.9217 27.4205 173.0142 125 Y 5.1077 7.8493 119.8652 55.8498 41.3605 176.2435 126 E 4.0557 8.8000 120.5021 59.3467 30.3429 176.9436 127 G 3.7466 7.0938 114.4012 45.8379 0.0000 170.2822 128 D 4.7363 6.5799 117.9298 54.7199 42.8137 177.7747 129 T 4.5487 8.1268 113.0913 62.9448 70.6651 173.3322 130 Y 4.8978 8.7058 123.5705 56.3548 40.4757 174.8073 131 Y 4.4325 8.6766 124.5346 55.9356 40.1963 173.5421 132 P 4.3740 0.0000 0.0000 61.5493 32.2220 176.2672 133 E 3.5923 8.3084 118.1498 56.0505 29.9655 176.1790 134 W 4.9917 7.2002 116.6396 54.7536 30.5836 174.9203 135 D 5.2613 8.5460 120.1173 52.7568 43.2366 174.1466 136 A 4.6576 8.5170 116.5621 53.2595 21.2182 177.3852 137 A 4.2834 7.7993 116.7858 54.0655 19.7266 178.5878 138 E 3.7203 7.7656 115.7752 58.4157 29.4857 176.7031 139 W 5.6463 6.7617 113.4287 54.8504 31.3482 174.3914 140 E 4.7396 9.4815 122.2741 54.9654 32.2043 174.5149 141 L 4.1430 8.1850 122.0235 54.5087 41.8415 175.7870 142 D 4.5918 9.0372 127.1212 56.8371 41.6363 176.1485 143 A 4.6729 7.7030 118.9220 50.2134 22.9297 173.7635 144 E 4.8759 8.7028 122.5098 54.5865 32.0153 174.9084 145 T 4.8107 8.6157 120.8143 60.2725 71.5733 172.1900 146 D 4.7802 8.5875 126.4157 53.4451 40.5929 175.0572 147 H 4.5547 8.4473 117.8741 53.3383 32.6845 172.6123 148 E 4.0311 8.0282 119.7920 59.1205 28.3509 177.2024 149 G 3.9628 10.2117 114.0886 44.9229 0.0000 171.0441 150 F 5.0343 7.3623 113.3369 56.1469 42.0376 172.7315 151 T 4.6233 8.5224 108.9401 59.6017 70.7381 173.6372 152 L 4.6416 8.3186 128.9333 55.4506 43.7379 176.0875 153 Q 4.6463 8.9672 123.8041 54.7664 33.2407 173.4964 154 E 4.8958 9.5349 125.1923 54.4757 31.9810 175.1263 155 W 5.4179 8.9315 125.4149 55.1522 31.3438 175.7253 156 V 4.8353 8.6954 124.4967 59.7325 33.2620 175.8231 157 R 4.6775 8.3519 122.6525 56.4965 31.0343 176.0305 158 S 4.1621 8.3326 116.6184 59.0580 62.8554 173.5978 159 A 4.4650 7.9973 131.3017 50.8736 19.6752 176.4186 160 S 4.4092 8.5809 118.1049 57.8859 63.2811 172.3812 161 S 4.5315 8.8144 120.0886 59.3569 64.2163 173.4075 162 R 4.1712 7.7048 122.6568 56.5610 30.0170 174.1293 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 4.61 0.00 2.20 1.28 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 E 8.41 4.57 0.00 2.03 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 0.00 2.25 2.35 0.00 3 L 8.78 4.88 0.00 1.48 1.59 0.96 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.88 4.83 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 1.29 0.00 0.00 0.85 0.00 0.00 5 S 8.45 4.61 0.00 2.72 3.25 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 6 V 9.89 5.50 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 1.17 0.00 0.00 1.02 0.00 0.00 7 A 8.68 4.95 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 8 A 8.37 5.28 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 9 L 9.19 5.13 0.00 1.72 1.81 0.43 0.76 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 10 A 8.22 4.78 0.26 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 11 E 8.33 3.93 0.00 1.95 1.70 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 2.36 2.38 0.00 12 N 9.30 4.20 0.00 2.89 2.89 0.00 0.00 7.32 7.67 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 13 R 7.76 3.55 0.00 2.10 2.19 0.00 3.15 0.00 0.00 2.83 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 14 V 7.29 4.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.61 0.00 0.00 15 I 8.14 3.86 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.10 1.06 0.00 0.00 16 G 7.24 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 0.00 0.00 0.00 0.00 17 R 8.24 4.22 0.00 1.63 1.85 0.00 3.11 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 18 D 7.92 4.52 0.00 2.55 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 19 G 8.06 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 20 E 9.49 4.03 0.00 1.96 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 2.02 2.02 0.00 21 L 7.14 4.37 0.00 0.27 0.86 0.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.11 0.00 1.77 1.91 0.00 2.90 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.80 0.00 23 W 7.24 4.42 0.00 3.39 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 24 P 0.00 4.16 0.00 2.21 2.21 0.00 4.07 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 25 S 8.09 5.70 0.00 3.98 4.02 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 0.00 0.00 0.00 26 I 8.11 3.98 1.95 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.37 0.96 0.00 0.00 27 P 0.00 4.30 0.00 2.37 2.18 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 28 A 8.08 4.03 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 29 D 8.58 4.47 0.00 3.00 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 30 K 8.41 4.25 0.00 1.99 1.88 0.00 1.61 0.00 0.00 1.25 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.67 7.81 31 K 8.54 4.05 0.00 1.98 1.99 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.51 7.81 32 Q 8.42 3.96 0.00 2.42 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 33 Y 8.11 4.09 0.00 3.02 3.17 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 0.00 0.00 0.00 0.00 34 R 7.89 3.73 0.00 1.98 1.88 0.00 3.27 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.84 0.00 35 S 8.11 4.29 0.00 3.95 3.90 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 36 R 7.98 3.88 0.00 1.72 1.59 0.00 3.30 0.00 0.00 3.07 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.50 0.00 37 V 8.00 4.03 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 0.63 0.00 0.00 0.50 0.00 0.00 38 A 7.37 4.16 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.92 4.28 0.00 2.66 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 40 D 7.76 4.89 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.72 0.00 2.08 1.99 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 42 V 8.74 4.75 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 0.95 0.00 0.00 0.99 0.00 0.00 43 V 8.62 4.93 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 0.88 0.00 0.00 0.33 0.00 0.00 44 L 9.31 4.87 0.00 1.68 1.79 1.03 0.64 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 45 G 8.61 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.59 4.22 0.00 1.85 2.21 0.00 3.17 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 47 T 8.18 3.84 4.26 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 1.25 0.00 0.00 48 T 7.79 3.82 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 1.30 0.00 0.00 49 F 8.20 3.91 0.00 3.09 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 50 E 8.28 3.99 0.00 2.10 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 2.43 2.49 0.00 51 S 8.15 4.00 0.00 3.79 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 52 M 8.06 4.37 0.00 1.87 1.74 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 53 R 7.31 3.74 0.00 1.76 1.90 0.00 3.33 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 54 D 8.27 4.30 0.00 2.69 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 D 7.64 4.62 0.00 2.66 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 56 L 8.21 4.37 0.00 1.62 1.56 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.56 0.00 2.22 2.29 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 58 G 7.41 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.83 4.36 0.00 4.06 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 60 A 7.86 4.95 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 61 Q 8.88 4.83 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 62 I 9.16 4.79 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 1.00 0.00 0.00 63 V 8.24 5.13 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 1.34 0.00 0.00 0.29 0.00 0.00 64 M 8.81 4.47 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.68 0.00 65 S 8.69 4.49 0.00 3.88 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 66 R 8.10 4.73 0.00 1.77 1.84 0.00 3.30 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 67 S 7.54 4.52 0.00 3.99 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 68 E 8.39 4.05 0.00 1.88 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 2.27 2.23 0.00 69 R 7.28 3.19 0.00 1.84 1.82 0.00 3.28 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 70 S 8.17 3.55 0.00 3.89 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 71 F 7.98 5.10 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 4.86 0.00 3.92 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 73 V 7.50 4.01 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 0.70 0.00 0.00 0.94 0.00 0.00 74 D 8.70 4.51 0.00 2.69 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 75 T 7.76 4.50 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 1.26 0.00 0.00 76 A 7.70 5.16 1.55 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 0.00 0.00 77 H 9.67 5.01 0.00 3.18 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.46 5.03 0.00 1.67 1.71 0.00 3.47 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.49 0.00 79 A 8.64 4.54 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 80 A 9.01 4.27 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 81 S 7.34 4.59 0.00 3.87 3.91 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 82 V 8.18 3.36 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 -0.24 0.00 0.00 83 E 8.13 3.92 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 2.38 0.00 84 E 8.50 3.95 0.00 2.13 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 2.36 0.00 85 A 7.97 4.02 1.60 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 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.19 3.51 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 0.99 0.00 0.00 1.00 0.00 0.00 87 D 8.33 4.40 0.00 2.95 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 88 I 7.84 3.70 1.84 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 1.49 0.84 0.98 0.00 0.00 89 A 7.97 3.97 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 90 A 7.94 4.15 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 91 S 7.99 4.24 0.00 4.03 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 92 L 7.61 4.37 0.00 1.82 1.72 0.94 0.97 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 93 D 7.12 5.24 0.00 2.88 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 94 A 7.76 4.62 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 9.01 4.10 0.00 1.96 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 2.31 2.29 0.00 96 T 7.59 4.80 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 1.17 0.00 0.00 97 A 8.08 4.83 1.22 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 98 Y 8.78 5.46 0.00 2.77 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 99 V 7.96 4.79 1.71 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 0.62 0.00 0.00 0.62 0.00 0.00 100 I 8.35 4.10 1.93 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.56 0.93 0.00 0.00 101 G 8.80 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 0.00 102 G 8.56 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.44 2.46 0.00 111 P 0.00 4.61 0.00 2.06 2.28 0.00 3.60 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.16 0.00 112 H 8.24 4.76 0.00 3.32 3.41 0.00 5.66 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 0.00 113 L 7.78 4.32 0.00 1.60 1.73 0.75 0.82 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 0.00 114 D 8.59 4.64 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.79 4.80 0.00 1.81 1.91 0.00 3.20 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 116 M 8.98 4.89 0.00 2.00 1.82 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 117 V 8.57 4.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.09 0.00 0.00 118 L 9.81 5.45 0.00 1.86 1.66 0.48 0.84 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 0.00 119 S 8.65 4.65 0.00 3.26 3.05 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 0.00 120 R 9.29 4.56 0.00 1.67 1.85 0.00 3.19 0.00 0.00 2.85 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 121 V 8.45 4.36 1.66 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 -0.07 0.00 0.00 0.49 0.00 0.00 122 P 0.00 4.48 0.00 2.02 1.95 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 123 G 9.13 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 0.00 0.00 0.00 124 E 7.76 3.54 0.00 2.15 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 0.00 2.13 2.21 0.00 125 Y 7.85 5.11 0.00 2.78 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 0.00 126 E 8.80 4.06 0.00 1.99 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 2.34 0.00 127 G 7.09 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 0.00 128 D 6.58 4.74 0.00 2.64 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 0.00 129 T 8.13 4.55 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 1.25 0.00 0.00 130 Y 8.71 4.90 0.00 2.77 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 0.00 131 Y 8.68 4.43 0.00 2.91 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 0.00 132 P 0.00 4.37 0.00 1.83 1.83 0.00 2.20 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 133 E 8.31 3.59 0.00 1.84 1.75 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 2.24 2.19 0.00 134 W 7.20 4.99 0.00 2.73 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 0.00 135 D 8.55 5.26 0.00 2.43 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.52 4.66 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 0.00 137 A 7.80 4.28 1.22 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 0.00 138 E 7.77 3.72 0.00 1.16 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 1.91 1.55 0.00 139 W 6.76 5.65 0.00 3.51 3.25 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 0.00 140 E 9.48 4.74 0.00 2.16 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 2.35 2.31 0.00 141 L 8.18 4.14 0.00 1.39 1.42 0.60 -0.42 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 0.00 142 D 9.04 4.59 0.00 2.88 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 0.00 143 A 7.70 4.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.70 4.88 0.00 1.77 1.70 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 2.05 2.09 0.00 145 T 8.62 4.81 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 1.20 0.00 0.00 146 D 8.59 4.78 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 H 8.45 4.55 0.00 2.18 1.85 0.00 5.81 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.03 4.03 0.00 1.86 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 2.21 2.15 0.00 149 G 10.21 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 0.00 0.00 0.00 150 F 7.36 5.03 0.00 2.92 2.87 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 0.00 151 T 8.52 4.62 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 0.00 152 L 8.32 4.64 0.00 1.71 1.55 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 153 Q 8.97 4.65 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 5.84 0.00 0.00 0.00 0.00 0.00 2.09 2.31 0.00 154 E 9.53 4.90 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 155 W 8.93 5.42 0.00 3.46 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 0.00 156 V 8.70 4.84 2.20 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 0.81 0.00 0.00 1.03 0.00 0.00 157 R 8.35 4.68 0.00 1.88 2.07 0.00 3.51 0.00 0.00 3.38 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 158 S 8.33 4.16 0.00 4.09 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 0.00 159 A 8.00 4.47 1.37 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 0.00 0.00 160 S 8.58 4.41 0.00 3.86 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 0.00 161 S 8.81 4.53 0.00 3.83 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 0.00 162 R 7.70 4.17 0.00 1.75 1.70 0.00 3.32 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00