NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2670 8.0427 122.4890 55.0398 44.4221 178.5502 4 K 3.8109 8.1231 119.0164 59.3892 32.0891 176.0413 5 E 4.0076 8.2658 118.4044 61.0515 30.1239 180.4928 6 V 3.7892 7.6835 118.8890 65.9032 31.7004 177.3624 7 H 4.0983 8.5066 118.3488 59.4338 29.7287 176.9796 8 E 3.9071 8.0599 119.9279 59.4529 29.2169 179.4617 9 L 3.8644 7.9751 118.8694 57.7317 41.7935 179.5585 10 L 4.2350 8.1467 119.0532 58.0292 41.4777 179.3733 11 N 4.4724 8.3343 116.4592 56.0849 38.3097 177.5621 12 R 3.8220 8.0030 120.2436 59.3556 30.0482 178.4292 13 I 3.7093 7.8984 119.7111 64.4414 37.1795 178.5644 14 W 3.9349 8.4943 119.3739 59.5551 28.9730 178.9526 15 G 3.8977 8.6606 106.0307 48.1284 0.0000 175.4505 16 D 4.5914 8.4940 121.6039 57.2541 40.7458 179.0110 17 I 3.9685 7.6213 120.4289 64.2215 36.9537 178.3795 18 F 4.3570 8.1060 118.7794 60.5169 38.7260 177.3627 19 E 4.0164 8.4709 118.9219 59.3464 29.5508 178.6840 20 L 4.1588 8.3696 120.7254 57.9166 42.0862 178.7610 21 R 2.5467 8.0986 119.0949 59.1833 29.9021 178.4451 22 E 3.9182 7.7836 118.2145 59.2096 29.3571 179.2814 23 E 3.9233 8.1139 118.6916 59.5688 29.5949 179.4739 24 L 4.0592 8.3822 119.1544 57.1102 41.3977 179.4109 25 K 3.9310 7.8744 119.4060 59.6206 32.2087 178.3894 26 E 4.1271 7.9210 117.4893 59.3344 29.4701 178.7191 27 E 4.2433 8.0777 117.3752 58.2676 31.2718 177.7133 28 L 4.5599 8.2761 120.7513 53.7628 40.8885 177.1942 29 K 4.3673 7.6479 118.1416 57.9713 33.0185 178.3689 30 G 3.8559 9.1585 111.5596 44.8507 0.0000 173.1198 31 F 4.8601 7.7473 117.9838 55.7582 41.3080 175.2203 32 T 4.3053 8.6219 121.7152 63.2675 69.4681 173.6734 33 V 4.7411 8.4626 127.3448 61.3763 33.0555 175.2942 34 E 4.5731 9.1447 128.7842 55.2382 31.2558 175.9739 35 E 4.3508 8.5917 119.7562 55.9749 30.5990 177.4331 36 V 4.2122 8.4503 122.1805 63.4300 32.4866 175.0303 37 S 4.9854 9.4339 121.5217 56.8238 67.2718 171.9653 38 E 5.0637 8.8458 118.9782 54.7363 31.1526 175.8723 39 V 4.3648 8.5122 125.0063 61.2775 33.3255 174.4998 40 F 4.8445 8.9514 126.0442 56.6995 41.8329 176.1245 41 N 4.5446 8.9002 116.7447 53.7796 35.7508 174.5002 42 A 4.3740 7.1935 119.6887 52.1847 19.2006 177.3753 43 Y 4.8482 8.5515 117.3154 56.4547 40.2214 175.1122 44 L 5.0124 8.8426 121.4424 54.2252 44.2980 175.2858 45 Y 4.2244 8.2604 121.8122 56.5764 39.3525 173.7688 46 I 4.4551 8.2026 128.3627 60.5898 39.7333 176.2140 47 D 3.9895 9.6608 125.8128 55.4490 38.2355 174.5720 48 G 3.6418 8.2347 102.9499 44.9256 0.0000 172.9097 49 K 4.4226 6.7636 119.9395 53.9861 36.0655 175.3024 50 W 5.0074 8.8686 126.8720 56.8694 29.9247 175.4397 51 E 4.6712 9.5829 124.1319 54.4857 32.6378 175.9124 52 E 3.5442 8.0645 128.1019 55.7795 30.1364 176.5717 *54 K 4.6041 8.5274 114.3190 56.1629 34.2092 176.0539 55 Y 4.7862 7.7581 117.8234 55.6039 39.3479 173.6200 56 P 4.3666 0.0000 0.0000 62.7501 32.6368 174.8650 57 H 4.9546 8.6527 116.0141 53.0293 32.5825 170.6315 58 P 4.9654 0.0000 0.0000 62.8152 32.8690 174.7277 59 A 5.0294 8.6280 122.6003 50.8896 23.2280 175.0231 60 F 5.2776 8.6905 114.3631 54.7377 41.6668 174.2182 61 A 4.4855 8.7645 123.2319 52.0536 20.0768 176.5687 62 V 4.8081 8.4487 120.9367 60.9922 34.1165 174.9430 63 K 4.8222 9.1079 128.6377 55.4114 33.0316 175.1158 64 P 4.6489 0.0000 0.0000 62.9008 32.7413 176.1295 65 G 3.8665 9.1322 110.0181 45.4191 0.0000 172.4443 66 G 3.4807 7.7923 106.6235 44.0877 0.0000 172.9576 67 E 4.9369 8.3470 119.8363 54.3605 34.4728 174.5874 68 V 4.1188 7.7458 123.4018 61.1905 34.8712 174.8658 69 G 3.8208 7.2608 112.2762 45.7420 0.0000 171.3070 70 A 5.3046 8.3494 120.4160 50.5828 22.5509 175.9280 71 T 4.5939 8.5156 109.6920 58.8186 71.9416 173.0668 72 P 4.4495 0.0000 0.0000 65.2093 31.4029 177.9905 73 Q 4.0864 8.0836 117.7213 57.3244 29.3768 175.0234 74 G 2.1548 7.0580 103.5689 43.2760 0.0000 172.9584 75 F 4.9977 7.8189 119.1513 57.9582 40.2917 174.3658 76 Y 5.4347 8.5576 118.5937 55.8311 41.8077 173.5455 77 F 5.3347 8.5343 114.5854 55.2990 42.0588 173.8518 78 V 4.8226 8.6326 118.6919 60.3406 35.0132 173.6801 79 F 5.0235 9.0122 121.4384 55.5449 42.5351 173.6888 80 A 5.1686 8.5718 124.7644 50.2990 20.7928 176.1535 81 F 5.1990 9.0090 119.9607 54.8031 43.1941 173.5322 82 P 4.5765 0.0000 0.0000 62.4066 32.1563 177.2242 83 K 3.9759 9.4180 124.9350 59.6918 32.1383 178.5710 84 E 4.2137 8.1589 114.6405 58.5522 29.7236 177.4048 85 E 4.1314 8.1554 118.2844 57.7017 29.8921 176.6332 86 L 4.2895 7.6012 119.0828 54.0976 43.3637 176.0276 87 S 3.8479 7.5378 112.5875 55.7323 66.6236 174.9106 88 K 2.9019 7.0644 123.3500 59.4593 31.6857 178.5671 89 E 3.9410 7.6899 118.8893 59.0213 29.5480 178.2931 90 F 3.0858 7.3614 120.7654 60.9259 39.3276 176.9660 91 I 3.5588 7.2610 118.9146 64.5261 36.8788 178.1319 92 E 3.8523 8.0780 119.2071 59.5638 29.0590 179.3112 93 D 4.2267 7.7622 117.9263 57.2093 41.2313 178.9009 94 V 3.6730 7.4548 120.0132 64.8216 31.0835 178.4287 95 I 3.4664 7.2333 119.4951 64.0897 36.9775 178.2418 96 R 4.0449 7.5913 116.7201 58.0695 30.0458 178.0097 97 A 3.9613 7.4310 119.4185 52.0992 19.3713 177.2438 98 F 4.8334 7.1750 114.0670 55.6648 42.3362 174.0843 99 E 4.0678 8.4965 124.9582 58.1534 30.5737 177.5982 100 K 2.4800 7.2005 119.3696 54.1126 30.7302 174.2425 101 L 5.1770 7.2331 124.0382 53.4300 44.9866 175.2431 102 F 5.5490 9.5375 123.8979 55.8717 43.1619 173.9914 103 I 4.9768 9.2599 123.2546 59.6781 40.3622 174.1842 104 Y 5.1793 8.3301 123.9950 55.2154 41.4481 174.8099 105 G 4.6544 8.7777 115.4572 46.2270 0.0000 175.4723 106 A 4.2249 9.7568 125.6672 54.2668 18.7258 177.7905 107 E 4.3901 8.5608 116.4216 53.9734 31.6293 176.8715 108 N 3.1400 8.0264 122.0374 55.0622 37.2281 176.3610 109 F 2.3000 6.6915 112.2654 57.4442 38.4847 175.4502 110 L 3.9281 6.2904 121.0268 56.0015 43.6094 176.6654 111 E 4.0527 7.3991 119.2607 54.5084 28.2685 174.2611 112 D 4.8464 7.3452 117.8723 53.1952 42.1843 175.6529 113 F 4.6963 9.0203 126.9952 59.9585 40.0439 176.0738 114 Y 4.8758 8.0348 118.6989 56.0121 42.7133 173.3369 115 N 4.8223 7.8889 124.1376 51.3166 41.4099 174.7064 116 F 3.8967 7.9577 121.8586 59.4910 37.8463 176.7901 117 E 3.5012 7.0064 118.8955 58.3528 29.5994 176.7970 118 H 4.7898 7.0070 113.3226 52.5824 28.1276 171.0099 119 P 4.0472 0.0000 0.0000 63.1616 32.3000 176.4096 120 I 4.6789 7.9388 113.1727 58.2307 40.8597 175.6224 121 S 4.5315 8.4284 115.3698 58.1505 64.8726 175.3499 122 G 3.6689 8.6596 109.8239 47.9494 0.0000 175.5594 123 D 4.4473 8.0978 119.8458 57.3009 41.3364 177.8249 124 E 3.9934 8.1421 119.6604 59.1299 29.6530 178.7651 125 V 3.7473 8.0373 118.3815 65.9303 31.5591 177.7924 126 W 4.3402 8.4581 127.9410 60.6262 30.5525 177.4617 127 D 4.2529 8.4020 118.8815 57.6012 40.0710 179.1512 128 R 4.0151 7.9808 117.1864 59.2187 30.4545 178.9790 129 I 3.2014 7.4979 119.5455 64.1205 36.8125 178.4852 130 V 3.1856 7.0092 117.9034 65.8417 31.3268 176.9490 131 N 4.6720 7.8318 112.8269 52.7686 38.7454 175.1016 132 S 4.6612 7.3767 116.3835 57.3917 64.8993 173.4293 133 D 4.8416 8.4818 116.6936 53.0206 39.3130 175.4020 134 E 4.5913 7.8169 119.2360 55.5301 31.0122 175.3127 135 E 4.2913 8.6320 124.1475 56.6279 29.9573 174.8594 *137 I 4.2505 7.5875 117.4290 60.8527 38.9682 174.1224 138 N 5.2008 8.7806 124.6415 51.6116 41.1005 174.1563 139 F 4.9845 9.1624 121.5291 55.8242 42.0410 173.5782 140 E 4.9576 9.2823 126.0464 54.1416 32.2635 174.6113 141 V 4.6382 7.7975 126.5824 61.1075 34.0280 173.7332 142 D 5.4456 8.8751 127.8804 52.6344 42.7965 176.3582 143 L 4.7126 8.7153 120.0765 53.2188 44.1708 178.2867 144 G 3.9978 7.7865 108.3785 47.4276 0.0000 173.5877 145 F 4.5272 8.5770 113.3666 57.5776 39.4310 177.1411 146 D 4.8849 7.8173 121.4593 52.6899 41.7749 175.2725 147 K 3.7959 8.6720 127.5888 59.3339 32.2525 178.5895 148 E 3.9511 8.3121 119.0475 59.5301 29.5211 178.6718 149 E 4.0419 8.6136 118.5427 59.1721 29.5399 179.3884 150 V 3.5927 7.7809 118.3943 65.8376 31.6372 178.2451 151 K 3.8522 7.7119 117.6380 59.5359 31.8540 179.3918 152 R 3.9366 8.1091 118.9348 59.4901 29.9497 178.4213 153 E 4.3151 8.8081 118.9411 59.4050 29.4540 179.2356 154 I 2.8200 7.5895 119.9503 63.8390 37.0372 178.3172 155 K 3.8971 7.8644 119.9864 59.7066 32.0953 179.0242 156 R 3.9959 8.3953 118.6162 59.2190 29.9298 178.9055 157 F 4.2913 8.9737 120.8629 61.4648 39.4086 177.2397 158 I 3.6991 8.2452 119.8723 64.4770 36.7397 178.3230 159 E 3.9833 8.4178 119.4713 59.1847 29.2406 179.1860 160 L 3.9415 8.0993 120.1885 58.1113 42.1173 178.7792 161 A 3.7467 8.1319 121.1271 55.2174 18.2572 179.6666 162 R 3.9641 8.3342 116.8659 59.6657 29.9202 179.4402 163 R 3.8530 7.6181 116.7074 58.5833 29.9902 177.6821 164 Y 4.2459 7.0048 113.2885 56.6034 38.2242 174.9675 165 N 4.1592 7.7371 116.6983 54.6906 37.9583 175.0635 166 L 4.1622 7.8553 118.1935 55.2930 42.5251 177.0064 167 L 4.4413 7.4655 121.9882 54.9885 42.7395 175.8619 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 3 L 8.04 4.27 0.00 1.72 1.71 0.90 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.12 3.81 0.00 2.03 1.79 0.00 1.89 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.51 1.13 7.81 5 E 8.27 4.01 0.00 2.01 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 1.93 0.00 6 V 7.68 3.79 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 1.02 0.00 0.00 0.91 0.00 0.00 7 H 8.51 4.10 0.00 3.29 3.52 0.00 5.84 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 8 E 8.06 3.91 0.00 2.24 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 2.32 2.44 0.00 9 L 7.98 3.86 0.00 1.85 1.67 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.15 4.24 0.00 1.84 1.78 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.33 4.47 0.00 2.89 2.86 0.00 0.00 6.66 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 12 R 8.00 3.82 0.00 1.80 1.86 0.00 2.64 0.00 0.00 2.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.53 0.00 13 I 7.90 3.71 1.94 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 1.71 0.67 0.25 0.00 0.00 14 W 8.49 3.93 0.00 3.56 3.32 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 15 G 8.66 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 0.00 0.00 0.00 16 D 8.49 4.59 0.00 2.90 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 17 I 7.62 3.97 1.60 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.85 0.96 0.00 0.00 18 F 8.11 4.36 0.00 3.19 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 19 E 8.47 4.02 0.00 2.23 2.29 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 2.47 2.37 0.00 20 L 8.37 4.16 0.00 2.00 1.86 0.85 0.88 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 21 R 8.10 2.55 0.00 1.15 1.74 0.00 3.17 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 22 E 7.78 3.92 0.00 2.10 1.97 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 2.51 2.50 0.00 23 E 8.11 3.92 0.00 2.17 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 2.34 2.46 0.00 24 L 8.38 4.06 0.00 1.73 1.78 1.01 0.78 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 25 K 7.87 3.93 0.00 1.73 2.05 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 26 E 7.92 4.13 0.00 2.17 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 2.44 0.00 27 E 8.08 4.24 0.00 2.00 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 2.33 2.41 0.00 28 L 8.28 4.56 0.00 1.90 1.81 0.80 0.64 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 29 K 7.65 4.37 0.00 1.79 1.77 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.66 7.81 30 G 9.16 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.75 4.86 0.00 3.27 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 32 T 8.62 4.31 4.34 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 1.31 0.00 0.00 33 V 8.46 4.74 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 0.88 0.00 0.00 1.15 0.00 0.00 34 E 9.14 4.57 0.00 1.97 1.97 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 2.39 2.49 0.00 35 E 8.59 4.35 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 2.35 2.29 0.00 36 V 8.45 4.21 2.36 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 0.67 0.00 0.00 0.96 0.00 0.00 37 S 9.43 4.99 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.85 5.06 0.00 2.04 1.78 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 2.41 2.39 0.00 39 V 8.51 4.36 1.68 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 1.03 0.00 0.00 0.89 0.00 0.00 40 F 8.95 4.84 0.00 2.93 2.92 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 41 N 8.90 4.54 0.00 2.93 3.07 0.00 0.00 6.94 7.35 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 42 A 7.19 4.37 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 43 Y 8.55 4.85 0.00 2.88 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 44 L 8.84 5.01 0.00 1.62 1.66 0.98 0.78 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 45 Y 8.26 4.22 0.00 1.43 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.20 4.46 1.76 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 1.26 0.84 0.86 0.00 0.00 47 D 9.66 3.99 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 48 G 8.23 3.64 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 0.00 0.00 0.00 49 K 6.76 4.42 0.00 1.76 1.40 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 1.28 7.81 50 W 8.87 5.01 0.00 3.36 3.29 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 51 E 9.58 4.67 0.00 1.80 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 2.35 2.32 0.00 52 E 8.06 3.54 0.00 1.16 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 1.86 1.62 0.00 *54 K 8.53 4.60 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.38 7.81 55 Y 7.76 4.79 0.00 3.02 2.98 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 56 P 0.00 4.37 0.00 2.04 0.49 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.88 0.00 57 H 8.65 4.95 0.00 3.10 3.31 0.00 5.26 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.97 0.00 1.74 1.62 0.00 3.34 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.00 59 A 8.63 5.03 1.19 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 60 F 8.69 5.28 0.00 3.23 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 61 A 8.76 4.49 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 62 V 8.45 4.81 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 1.00 0.00 0.00 0.87 0.00 0.00 63 K 9.11 4.82 0.00 1.81 1.83 0.00 1.81 0.00 0.00 1.82 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0.00 0.00 0.95 0.00 0.00 72 P 0.00 4.45 0.00 2.14 2.23 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 73 Q 8.08 4.09 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 74 G 7.06 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 0.00 0.00 0.00 75 F 7.82 5.00 0.00 2.93 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 76 Y 8.56 5.43 0.00 3.14 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 77 F 8.53 5.33 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 78 V 8.63 4.82 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 0.77 0.00 0.00 0.81 0.00 0.00 79 F 9.01 5.02 0.00 2.83 2.38 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 80 A 8.57 5.17 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 81 F 9.01 5.20 0.00 3.09 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 82 P 0.00 4.58 0.00 2.26 2.26 0.00 3.98 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.17 0.00 83 K 9.42 3.98 0.00 1.86 1.86 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.32 7.81 84 E 8.16 4.21 0.00 2.16 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 2.32 2.31 0.00 85 E 8.16 4.13 0.00 2.18 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 2.32 2.30 0.00 86 L 7.60 4.29 0.00 2.15 1.82 1.40 0.35 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 87 S 7.54 3.85 0.00 3.72 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 88 K 7.06 2.90 0.00 0.89 1.42 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.40 7.81 89 E 7.69 3.94 0.00 2.04 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 2.45 2.36 0.00 90 F 7.36 3.09 0.00 1.77 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 I 7.26 3.56 1.98 0.00 0.00 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 1.73 1.32 1.04 0.00 0.00 92 E 8.08 3.85 0.00 2.04 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 2.29 2.44 0.00 93 D 7.76 4.23 0.00 2.50 2.57 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 0.00 0.00 0.00 94 V 7.45 3.67 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.13 0.00 0.00 95 I 7.23 3.47 1.81 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 0.43 0.29 0.73 0.00 0.00 96 R 7.59 4.04 0.00 1.65 1.91 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.30 0.42 0.00 0.00 130 V 7.01 3.19 1.78 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 0.66 0.00 0.00 -0.13 0.00 0.00 131 N 7.83 4.67 0.00 2.77 2.81 0.00 0.00 7.05 7.16 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 0.00 132 S 7.38 4.66 0.00 4.19 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.48 4.84 0.00 2.78 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 0.00 134 E 7.82 4.59 0.00 2.17 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 2.34 2.48 0.00 135 E 8.63 4.29 0.00 2.06 1.91 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 2.38 2.42 0.00 *137 I 7.59 4.25 2.09 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 0.53 0.00 0.00 138 N 8.78 5.20 0.00 1.61 2.06 0.00 0.00 6.38 7.69 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 0.00 139 F 9.16 4.98 0.00 3.19 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 0.00 140 E 9.28 4.96 0.00 2.07 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 2.37 2.41 0.00 141 V 7.80 4.64 0.67 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 0.85 0.00 0.00 0.22 0.00 0.00 142 D 8.88 5.45 0.00 2.66 2.62 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 0.00 143 L 8.72 4.71 0.00 1.78 1.71 1.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.79 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 0.00 145 F 8.58 4.53 0.00 3.06 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 0.00 146 D 7.82 4.88 0.00 2.94 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 0.00 147 K 8.67 3.80 0.00 1.91 1.87 0.00 1.85 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.87 1.79 7.81 148 E 8.31 3.95 0.00 2.03 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 2.40 2.38 0.00 149 E 8.61 4.04 0.00 2.27 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 2.39 2.37 0.00 150 V 7.78 3.59 1.59 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 0.83 0.00 0.00 0.49 0.00 0.00 151 K 7.71 3.85 0.00 1.97 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.36 7.81 152 R 8.11 3.94 0.00 1.90 1.96 0.00 3.11 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 1.68 1.70 0.00 153 E 8.81 4.32 0.00 2.36 2.51 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 2.71 2.75 0.00 154 I 7.59 2.82 1.63 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 -0.08 0.64 0.00 0.00 155 K 7.86 3.90 0.00 1.85 2.02 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.50 7.81 156 R 8.40 4.00 0.00 2.28 2.04 0.00 3.20 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 157 F 8.97 4.29 0.00 3.36 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 0.00 158 I 8.25 3.70 1.87 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 1.08 0.00 0.00 159 E 8.42 3.98 0.00 2.16 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 2.45 0.00 160 L 8.10 3.94 0.00 1.74 1.71 1.01 0.77 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 0.00 161 A 8.13 3.75 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 0.00 0.00 0.00 0.00 0.00 162 R 8.33 3.96 0.00 2.01 1.97 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 163 R 7.62 3.85 0.00 1.90 1.64 0.00 3.08 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 164 Y 7.00 4.25 0.00 2.71 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 0.00 165 N 7.74 4.16 0.00 2.75 2.79 0.00 0.00 7.04 7.13 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 0.00 166 L 7.86 4.16 0.00 1.13 0.58 -0.99 0.55 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 0.00 167 L 7.47 4.44 0.00 1.62 1.74 0.48 1.15 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 * Residues marked with a * may have inaccurate shift predictions.