NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8375 8.1476 120.6214 55.5364 34.4057 173.7691 2 V 4.8576 8.8441 123.7280 59.0130 34.8642 172.4293 3 L 4.5629 9.1915 127.1536 53.3574 44.6005 176.0812 4 I 4.8818 8.5768 127.3354 59.6183 39.6698 174.4726 5 L 5.0085 8.9838 127.4817 52.8115 45.3133 175.5769 6 N 5.4534 8.9712 119.4711 51.7474 42.7653 174.8436 7 G 4.4503 8.9023 110.7922 43.4244 0.0000 171.3159 8 P 4.6589 0.0000 0.0000 64.4687 31.9169 177.9213 9 N 4.3984 9.9397 116.3421 54.3674 38.0185 176.3861 10 L 4.1424 7.7255 117.9846 56.4879 41.9179 178.6786 11 N 4.3725 8.2717 115.5579 55.2656 37.1880 175.4965 12 L 4.5319 7.8766 117.8221 54.1262 41.6439 176.1937 13 L 3.9169 7.4046 120.2723 56.3007 41.8863 176.8143 14 G 4.2750 8.7014 115.0958 46.3238 0.0000 175.3331 15 R 4.1917 7.7667 119.1161 56.7647 30.9956 177.2249 16 R 3.8775 7.6124 115.1199 56.4992 29.2991 177.3109 17 E 3.8959 8.9253 125.8522 54.7893 29.5435 171.1338 18 P 4.9988 0.0000 0.0000 61.9522 32.9020 174.3594 19 E 4.3192 8.1272 118.1367 57.2820 30.4822 176.7491 20 V 3.4547 7.4788 117.9288 64.9036 31.9898 175.9541 21 Y 4.4422 7.5317 116.9223 58.5590 39.3245 174.4693 22 G 3.8423 8.1260 103.2350 44.3155 0.0000 172.5225 23 R 4.4857 8.5649 112.8330 56.3491 30.9776 176.2400 24 T 4.1745 7.8271 109.7370 61.7037 69.6035 174.8284 25 T 4.6366 8.5954 117.3626 59.6834 71.7435 176.0029 26 L 3.8763 8.1708 121.9272 58.2388 42.2030 178.2052 27 E 3.7887 8.1763 118.1031 59.8435 29.3494 179.3461 28 E 3.8393 8.2029 118.1722 58.9287 29.3397 179.0523 29 L 3.6983 8.1361 120.8254 58.2639 42.1174 178.9266 30 E 2.7687 7.4126 118.0236 58.9027 29.2000 179.3348 31 A 3.7775 7.4045 120.2190 54.8372 18.3123 179.5701 32 L 3.0884 7.5601 117.5632 57.9011 41.5205 179.5927 33 C 4.4381 7.8686 116.6731 62.7948 28.0898 175.6296 34 E 3.8878 8.6162 120.9658 59.4928 29.1633 178.9125 35 A 3.9773 7.7869 120.5543 54.7238 18.2510 179.7172 36 W 4.4904 8.3327 118.1209 59.7698 29.0579 178.9404 37 G 3.7109 8.5665 105.6313 47.8475 0.0000 175.5936 38 A 4.0213 8.1869 124.1287 54.4892 18.2102 179.0978 39 E 3.9307 8.5341 115.3337 59.8900 29.4837 178.7070 40 L 4.3851 7.4785 118.0402 54.4136 41.9941 176.8006 41 G 3.8681 8.1577 104.7868 45.8651 0.0000 173.1599 42 L 4.7198 7.9093 119.5449 52.1834 44.0613 176.8282 43 G 3.8363 8.8265 112.1909 46.2862 0.0000 172.4298 44 V 5.3096 8.5303 118.0072 59.4778 34.9701 175.4729 45 V 4.6120 8.5373 122.1321 59.9262 34.8260 174.0393 46 F 5.1643 8.7970 124.9867 56.5607 41.9537 174.0605 47 R 4.6547 8.3056 123.5946 54.6658 34.6693 173.8191 48 Q 5.2715 8.5527 121.4130 55.1881 32.3682 173.6203 49 T 4.8896 8.9313 118.3105 61.2762 70.7910 173.1934 50 N 4.7201 9.0950 121.1340 53.5937 39.4669 175.0894 51 Y 4.5442 8.2022 118.5165 55.8223 39.9846 175.7458 52 E 3.9494 8.8665 125.9508 59.3202 29.8615 178.7159 53 G 3.7406 8.2061 105.1999 48.2321 0.0000 175.1671 54 Q 3.5256 7.8330 121.5944 58.1955 28.9610 177.7362 55 L 3.9966 7.6919 121.4964 58.1105 42.1033 178.7376 56 I 3.6823 7.8394 119.9106 64.6761 37.0324 178.1469 57 E 4.1221 8.0176 118.9455 59.3856 29.0856 179.5738 58 W 4.4677 7.9184 117.6566 59.9947 29.2846 178.7257 59 V 3.8528 8.2605 112.5253 64.3618 30.7285 178.6585 60 Q 4.0651 8.2660 117.4344 58.9663 29.1209 178.1198 61 Q 4.2417 8.5170 118.8356 57.0069 29.0603 177.0417 62 A 4.2599 7.8096 122.6219 56.1983 18.3626 179.3039 63 H 4.2918 8.3540 112.2202 58.6914 29.0004 177.6910 64 Q 3.9491 7.5133 118.2369 58.5280 28.5611 176.9224 65 E 4.0579 8.1333 114.8069 56.9571 29.6225 177.5382 66 G 3.8360 7.8699 108.2299 44.8175 0.0000 174.2957 67 F 4.3973 7.0201 118.2132 57.8500 39.3194 174.8336 68 L 4.6656 8.8814 124.7708 55.3867 43.1172 175.9083 69 A 4.6982 7.4845 117.1090 51.8357 22.5230 175.0102 70 I 5.0319 8.4071 120.4806 59.4297 41.1966 174.7230 71 V 4.7701 8.9067 126.2010 61.0237 34.0848 174.1322 72 L 5.0346 8.9952 129.4481 53.5012 45.4861 174.3297 73 N 5.2012 8.8206 125.3016 50.2437 40.1394 172.8597 74 P 4.4197 0.0000 0.0000 62.3476 32.7210 178.2555 75 G 4.0600 8.6003 107.7084 45.9343 0.0000 175.0510 76 A 4.3359 8.6207 119.9942 54.8533 18.3944 179.5816 77 L 3.3019 7.9688 117.5708 57.5634 41.5827 179.0759 78 T 3.7446 7.7506 110.0211 64.7185 68.0712 174.8825 79 H 5.0026 7.7968 116.1004 55.7770 29.2975 175.0516 80 Y 4.6787 6.9940 115.0416 56.1265 41.9376 176.2501 81 S 4.2144 7.4216 116.9106 57.4023 60.4811 173.4683 82 Y 4.3264 7.9594 123.4445 59.5277 38.0159 177.0743 83 A 4.1081 7.9380 122.1447 54.7110 18.6494 179.2174 84 L 3.8953 7.7369 118.8564 57.9191 42.2654 178.6375 85 L 3.9429 7.7378 119.9965 58.6299 41.7923 178.9277 86 D 4.4033 7.9744 116.8556 57.0437 41.0846 178.2892 87 A 4.1780 8.1310 121.7294 55.2425 18.5879 179.7789 88 I 3.7381 7.9172 111.5828 64.2319 37.4019 178.6260 89 R 4.0930 7.8694 118.3045 58.1973 29.9646 177.7087 90 A 4.4806 7.5267 118.4640 51.3117 19.1707 176.6232 91 Q 4.5676 6.9887 114.2198 53.7795 31.7250 173.7123 92 P 4.4906 0.0000 0.0000 63.8682 32.1745 176.3014 93 L 4.4883 7.8979 120.0464 53.5095 42.6858 175.1790 94 P 4.4251 0.0000 0.0000 63.0966 32.6804 175.0076 95 V 4.8790 8.4627 122.6296 61.0849 34.4954 173.8183 96 V 4.5787 8.5557 128.0434 61.1709 33.7193 173.8057 97 E 4.8335 8.7713 129.4589 55.1798 30.7453 174.9332 98 V 4.8925 8.4152 126.0531 61.4760 35.4107 173.8409 99 H 4.8990 8.9322 122.3017 54.1402 32.9931 174.4411 100 L 4.2867 9.1322 122.4634 57.6736 42.5321 177.5405 101 T 4.5248 7.8545 106.4808 59.6182 71.2601 173.5742 102 N 4.4605 8.1507 120.6242 52.2653 38.3938 175.5945 103 L 3.8931 8.2866 126.8248 57.5159 41.7855 177.9812 104 H 4.5968 8.2360 113.5644 55.8436 28.9503 175.2701 105 A 4.7951 7.7284 121.4000 51.6625 19.9683 176.7018 106 R 4.5602 7.3785 118.6633 56.5979 31.8069 175.4197 107 E 4.0207 8.3153 121.8873 57.0696 30.4787 177.2322 108 E 3.8837 8.9289 122.8451 59.5169 29.7752 179.3728 109 F 4.2918 8.0382 113.7278 59.8107 37.7011 177.3258 110 R 3.2834 6.2239 117.6375 58.3096 29.7858 178.4167 111 R 4.0982 7.6022 116.9000 56.4964 30.3511 175.7487 112 H 4.8817 7.4917 115.1476 53.4623 30.1793 173.7107 113 S 4.7417 8.4789 118.4362 56.3861 63.5999 174.0952 114 V 3.7762 8.5621 122.5075 63.4593 31.8570 177.5876 115 T 4.1346 7.7058 109.3225 63.1763 69.6812 176.8009 116 A 4.0809 8.0055 125.7684 54.5068 18.5555 177.6424 117 P 4.2062 0.0000 0.0000 65.1903 31.3946 176.8223 118 A 4.5030 7.7653 118.1611 52.0564 19.3906 176.5522 119 C 4.6627 7.6693 114.0403 58.3553 29.8046 174.1104 120 R 4.0590 8.5960 121.7112 59.3013 30.2291 176.7818 121 G 3.9878 7.3502 102.8178 45.7152 0.0000 171.2836 122 I 5.3683 8.1863 119.2180 59.0501 41.2482 174.9045 123 V 4.7220 8.6803 128.2553 59.9974 33.9246 174.6034 124 S 5.5223 8.4680 118.5899 58.2908 65.4669 174.3153 125 G 3.6893 8.9459 108.4685 45.7196 0.0000 174.2074 126 F 4.6980 7.4746 117.3629 56.3736 39.8512 178.0574 127 G 3.8350 8.4664 110.9843 45.8203 0.0000 174.4705 128 P 4.4983 0.0000 0.0000 65.9221 31.3425 178.0788 129 L 3.8732 8.2120 116.8046 57.2515 41.5268 179.3218 130 S 4.2993 8.5812 116.0155 61.7363 62.7033 176.2325 131 Y 4.0204 8.5461 119.5681 60.7646 37.6791 177.8669 132 K 3.2983 7.9350 120.0973 59.7010 31.9841 178.4979 133 L 3.8531 7.8437 118.5651 57.5665 41.4837 179.3842 134 A 4.0197 7.8198 120.3380 55.2603 18.2243 179.7238 135 L 4.0740 8.0313 117.7231 57.7119 41.6993 180.1353 136 V 3.5887 7.8387 119.3946 64.9140 31.4613 177.8464 137 Y 4.0413 8.0200 120.3498 60.4489 38.4233 178.1459 138 L 3.8535 7.7404 118.4904 57.4098 41.7805 178.9969 139 A 4.0949 8.0073 120.3353 55.1796 18.4390 178.9389 140 E 3.9282 7.7990 116.4628 58.4165 29.8652 177.3835 141 T 4.0657 6.5670 116.0662 62.7466 70.0228 175.3911 *142 L 4.1415 8.2265 121.7096 54.7154 41.6354 177.4677 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 8.15 4.84 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.79 0.00 2 V 8.84 4.86 2.16 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 0.73 0.00 0.00 0.98 0.00 0.00 3 L 9.19 4.56 0.00 0.93 1.11 0.57 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.58 4.88 1.76 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 0.97 0.00 0.00 5 L 8.98 5.01 0.00 1.47 1.57 0.97 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 6 N 8.97 5.45 0.00 2.71 2.67 0.00 0.00 6.67 6.86 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 7 G 8.90 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 8 P 0.00 4.66 0.00 2.15 2.22 0.00 4.06 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 9 N 9.94 4.40 0.00 2.88 2.94 0.00 0.00 7.18 6.55 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 10 L 7.73 4.14 0.00 1.78 1.76 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.27 4.37 0.00 2.86 3.22 0.00 0.00 6.00 7.79 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 12 L 7.88 4.53 0.00 1.70 1.69 0.92 0.47 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 13 L 7.40 3.92 0.00 1.80 1.74 0.72 1.46 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 14 G 8.70 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 15 R 7.77 4.19 0.00 1.82 2.01 0.00 3.22 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 16 R 7.61 3.88 0.00 1.93 1.97 0.00 3.10 0.00 0.00 2.71 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.41 0.00 17 E 8.93 3.90 0.00 2.30 2.16 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 2.22 2.47 0.00 18 P 0.00 5.00 0.00 2.17 2.10 0.00 3.81 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 1.88 1.94 0.00 19 E 8.13 4.32 0.00 1.92 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 2.20 2.20 0.00 20 V 7.48 3.45 1.83 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 -0.17 0.00 0.00 0.82 0.00 0.00 21 Y 7.53 4.44 0.00 3.07 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 22 G 8.13 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.56 4.49 0.00 2.00 2.19 0.00 2.99 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 24 T 7.83 4.17 4.23 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 1.26 0.00 0.00 25 T 8.60 4.64 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 1.19 0.00 0.00 26 L 8.17 3.88 0.00 1.97 1.71 1.18 1.00 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 27 E 8.18 3.79 0.00 1.96 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 2.35 2.39 0.00 28 E 8.20 3.84 0.00 2.04 1.88 0.00 0.00 0.00 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 2.23 0.00 29 L 8.14 3.70 0.00 1.72 1.44 0.62 0.56 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 30 E 7.41 2.77 0.00 1.57 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 1.47 1.87 0.00 31 A 7.40 3.78 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 32 L 7.56 3.09 0.00 1.50 0.41 0.51 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 C 7.87 4.44 0.00 3.14 3.19 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 34 E 8.62 3.89 0.00 1.93 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 2.24 2.29 0.00 35 A 7.79 3.98 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 36 W 8.33 4.49 0.00 3.66 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 37 G 8.57 3.71 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 0.00 0.00 0.00 38 A 8.19 4.02 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 39 E 8.53 3.93 0.00 2.13 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 0.00 2.76 2.46 0.00 40 L 7.48 4.39 0.00 1.64 2.09 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.16 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 0.00 0.00 0.00 42 L 7.91 4.72 0.00 1.67 1.64 0.94 1.22 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 43 G 8.83 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.53 5.31 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 0.93 0.00 0.00 1.05 0.00 0.00 45 V 8.54 4.61 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 1.02 0.00 0.00 0.86 0.00 0.00 46 F 8.80 5.16 0.00 2.92 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 47 R 8.31 4.65 0.00 0.76 0.66 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.12 0.00 48 Q 8.55 5.27 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 49 T 8.93 4.89 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 1.23 0.00 0.00 50 N 9.10 4.72 0.00 2.76 2.74 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 51 Y 8.20 4.54 0.00 2.73 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 52 E 8.87 3.95 0.00 1.98 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 2.35 2.32 0.00 53 G 8.21 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.83 3.53 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.85 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 55 L 7.69 4.00 0.00 2.00 1.63 0.92 1.26 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 56 I 7.84 3.68 2.06 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 1.51 0.58 0.90 0.00 0.00 57 E 8.02 4.12 0.00 1.81 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 2.29 2.43 0.00 58 W 7.92 4.47 0.00 3.57 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 59 V 8.26 3.85 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 0.92 0.00 0.00 0.97 0.00 0.00 60 Q 8.27 4.07 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 61 Q 8.52 4.24 0.00 2.43 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 62 A 7.81 4.26 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.35 4.29 0.00 3.44 3.64 0.00 5.66 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 64 Q 7.51 3.95 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.01 0.00 0.00 0.00 0.00 0.00 2.32 2.07 0.00 65 E 8.13 4.06 0.00 2.31 1.90 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 2.36 2.36 0.00 66 G 7.87 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.02 4.40 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 68 L 8.88 4.67 0.00 1.64 1.89 0.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.48 4.70 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 70 I 8.41 5.03 1.86 0.00 0.00 0.88 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 0.83 0.90 0.00 0.00 71 V 8.91 4.77 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 0.78 0.00 0.00 0.97 0.00 0.00 72 L 9.00 5.03 0.00 1.67 1.37 0.96 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.82 5.20 0.00 2.69 2.71 0.00 0.00 7.08 7.00 0.00 0.00 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 P 0.00 4.42 0.00 2.24 2.00 0.00 3.71 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 2.05 2.02 0.00 75 G 8.60 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 76 A 8.62 4.34 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 0.00 0.00 0.00 0.00 0.00 77 L 7.97 3.30 0.00 1.68 1.43 0.84 0.37 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 78 T 7.75 3.74 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 79 H 7.80 5.00 0.00 3.51 3.66 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Y 6.99 4.68 0.00 3.03 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 81 S 7.42 4.21 0.00 3.49 3.57 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 82 Y 7.96 4.33 0.00 3.10 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 83 A 7.94 4.11 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 84 L 7.74 3.90 0.00 1.75 1.68 0.85 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.74 3.94 0.00 1.82 1.92 1.06 1.07 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 86 D 7.97 4.40 0.00 2.87 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 87 A 8.13 4.18 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 88 I 7.92 3.74 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 1.01 0.00 0.00 89 R 7.87 4.09 0.00 2.00 2.05 0.00 3.33 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 90 A 7.53 4.48 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 91 Q 6.99 4.57 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 92 P 0.00 4.49 0.00 2.18 2.15 0.00 3.66 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.80 0.00 93 L 7.90 4.49 0.00 1.73 1.69 1.09 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 94 P 0.00 4.43 0.00 2.20 2.26 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 95 V 8.46 4.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.00 0.00 0.00 96 V 8.56 4.58 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 0.84 0.00 0.00 0.96 0.00 0.00 97 E 8.77 4.83 0.00 2.05 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 2.15 2.27 0.00 98 V 8.42 4.89 1.61 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 -0.09 0.00 0.00 0.73 0.00 0.00 99 H 8.93 4.90 0.00 3.16 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.13 4.29 0.00 1.87 1.93 1.14 0.88 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 0.00 101 T 7.85 4.52 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 1.03 0.00 0.00 102 N 8.15 4.46 0.00 2.58 2.64 0.00 0.00 6.88 6.66 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 0.00 103 L 8.29 3.89 0.00 1.32 1.71 0.56 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.24 4.60 0.00 3.22 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.73 4.80 1.17 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 0.00 0.00 106 R 7.38 4.56 0.00 1.55 1.54 0.00 3.05 0.00 0.00 3.07 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.60 0.00 107 E 8.32 4.02 0.00 1.36 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 2.49 2.32 0.00 108 E 8.93 3.88 0.00 1.99 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 2.39 2.31 0.00 109 F 8.04 4.29 0.00 3.26 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 0.00 110 R 6.22 3.28 0.00 1.43 1.75 0.00 2.89 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.00 111 R 7.60 4.10 0.00 1.88 2.03 0.00 3.08 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 112 H 7.49 4.88 0.00 3.27 3.27 0.00 5.51 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.48 4.74 0.00 3.79 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 0.00 114 V 8.56 3.78 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 0.22 0.00 0.00 0.57 0.00 0.00 115 T 7.71 4.13 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 1.13 0.00 0.00 116 A 8.01 4.08 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 0.00 117 P 0.00 4.21 0.00 2.07 2.16 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 118 A 7.77 4.50 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 0.00 119 C 7.67 4.66 0.00 3.07 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 0.00 120 R 8.60 4.06 0.00 1.76 1.88 0.00 3.49 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.92 0.00 121 G 7.35 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.19 5.37 1.86 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 1.42 1.01 0.90 0.00 0.00 123 V 8.68 4.72 2.16 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 0.68 0.00 0.00 1.14 0.00 0.00 124 S 8.47 5.52 0.00 4.07 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.95 3.69 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 0.00 0.00 0.00 126 F 7.47 4.70 0.00 3.21 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 0.00 127 G 8.47 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 0.00 0.00 0.00 128 P 0.00 4.50 0.00 2.49 2.36 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 129 L 8.21 3.87 0.00 2.03 1.65 0.98 0.78 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 0.00 130 S 8.58 4.30 0.00 3.91 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 0.00 131 Y 8.55 4.02 0.00 3.50 3.30 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 0.00 132 K 7.94 3.30 0.00 0.79 1.27 0.00 1.23 0.00 0.00 1.25 0.00 0.00 2.34 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.21 7.81 133 L 7.84 3.85 0.00 1.61 1.56 0.33 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.82 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 0.00 135 L 8.03 4.07 0.00 1.93 1.82 1.21 0.83 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 0.00 136 V 7.84 3.59 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 0.74 0.00 0.00 0.91 0.00 0.00 137 Y 8.02 4.04 0.00 3.08 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 0.00 138 L 7.74 3.85 0.00 2.00 1.73 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.01 4.09 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 0.00 140 E 7.80 3.93 0.00 1.93 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 0.00 2.25 2.29 0.00 141 T 6.57 4.07 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 1.08 0.00 0.00 *142 L 8.23 4.14 0.00 1.41 1.48 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.