NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3767 8.3049 118.7824 54.4797 32.9765 175.2085 2 S 4.4253 8.2075 121.0685 55.5704 65.1795 172.0989 3 A 3.8743 9.0641 123.9446 54.4838 19.2324 177.6852 4 L 4.5538 7.4200 114.7886 52.1306 45.0897 174.7664 5 P 4.5474 0.0000 0.0000 61.5898 32.4525 175.5949 6 P 4.3996 0.0000 0.0000 65.5059 31.1542 179.3241 7 V 3.7869 7.7685 117.3664 64.3258 31.1207 177.3940 8 Y 4.2763 7.6598 119.3171 59.9215 38.5448 176.5687 9 S 4.4725 7.7805 113.6514 58.1363 63.3074 174.2584 10 F 4.7592 8.6258 125.6883 56.4038 38.2883 174.7560 11 P 3.9943 0.0000 0.0000 64.9781 31.6535 177.0066 12 P 4.3120 0.0000 0.0000 65.1247 31.4218 178.3712 13 L 4.1897 8.0007 120.0035 58.1353 42.0744 177.6840 14 Y 4.2777 8.8900 115.3769 60.2008 38.0802 175.9093 15 T 4.2726 7.3355 116.7187 62.1245 69.3120 174.8733 16 R 3.1689 8.1912 126.5009 56.0604 30.6959 175.2402 17 Q 4.3774 7.7661 122.7325 53.3626 30.2363 174.0967 18 P 4.2933 0.0000 0.0000 63.7321 30.9470 174.8327 19 N 4.8248 8.5767 134.1267 52.7794 41.3639 174.4567 20 S 4.1070 8.4732 121.3154 62.2893 62.1154 175.4060 21 L 3.9187 7.9303 119.5654 58.6558 41.6038 179.2956 22 T 3.9431 8.1319 114.3011 67.0390 68.5727 176.0544 23 R 3.9407 8.4296 120.3460 59.9369 29.9555 178.2062 24 R 3.8965 8.0327 118.0703 59.7522 29.8440 178.5044 25 Q 3.9863 8.4944 117.8454 58.9235 28.9021 177.7995 26 Q 4.0512 8.2638 120.1435 59.5868 28.8553 178.7172 27 I 3.6818 8.5946 120.6454 64.6220 37.1609 178.2254 28 S 4.1730 7.7680 115.9174 62.2791 62.6747 176.8547 29 T 3.8097 8.1654 118.2620 66.7265 68.1663 176.5671 30 W 3.8798 8.0387 120.3676 59.7558 29.1224 178.2054 31 I 3.6718 8.5178 120.3196 64.7353 36.6044 177.4253 32 D 4.3778 8.8042 118.5970 57.8482 40.9403 178.6540 33 I 3.6760 8.0471 120.2343 64.5325 37.0365 178.2554 34 I 3.7285 8.0435 120.4486 64.7143 36.9220 178.1425 35 S 4.2873 8.1098 115.4534 62.2546 62.7997 176.7666 36 Q 3.7616 8.1800 120.0836 59.5319 28.5082 178.7491 37 Y 3.8423 8.1740 120.3838 60.7203 38.9093 177.5021 38 C 3.9598 8.7240 117.8385 62.9841 28.3151 175.8205 39 K 2.0000 7.9757 121.8285 59.1360 31.2645 178.7632 40 T 3.5525 7.1950 109.3394 64.2237 68.6958 175.5099 41 K 4.0189 7.3417 118.5365 54.6726 32.6338 176.6482 42 K 3.4707 7.2927 117.8578 57.3109 30.2253 174.9198 43 I 4.3270 7.4282 117.3819 59.9304 39.3901 176.1191 44 W 5.2014 8.6449 119.6856 57.3498 32.5180 174.9092 45 Y 6.0924 8.2560 115.1991 56.1023 40.0016 175.6121 46 M 5.2510 8.6696 121.2781 53.8497 36.4662 174.7337 47 S 4.6590 9.4822 119.2354 57.8521 64.2977 175.6934 48 V 3.6258 7.9212 116.3986 64.9242 31.4707 177.1495 49 D 4.8862 8.2270 116.0723 53.6360 39.9337 176.9411 50 G 3.9472 9.6492 110.4969 45.4518 0.0000 174.0036 51 T 4.2279 8.8381 118.3567 63.9654 68.8130 174.8757 52 V 4.2655 7.9943 123.2811 63.2088 33.0474 175.3714 *74 N 4.6362 7.2950 117.5855 53.4930 40.7060 174.6832 75 L 3.9986 8.0656 123.8231 56.6678 42.7650 177.8434 76 F 4.8330 8.0132 115.0481 57.7502 40.2426 174.0478 77 N 5.4212 8.3112 119.5579 50.8825 39.1418 173.3584 78 N 4.7978 9.2216 126.4822 52.2666 38.9536 175.7373 79 E 3.9478 8.9191 126.0558 59.7537 29.9667 179.2737 80 D 4.4048 8.2962 116.7182 57.4066 40.9010 177.9706 81 I 3.8510 9.1063 118.6499 61.1978 38.0256 175.4513 82 Q 3.4892 7.6282 118.4638 56.3252 26.3263 173.5156 83 R 4.7601 7.8255 115.4354 55.1412 35.7729 176.3851 84 S 5.3039 8.4809 117.1227 56.9562 67.6004 173.5583 85 V 4.0422 8.4306 125.5581 62.4190 31.8992 176.1688 86 S 4.2429 8.6847 122.3383 58.0885 63.9563 174.7236 87 Q 3.8516 8.8710 123.7833 59.4443 28.5805 178.7298 88 V 3.5413 7.8875 118.6601 66.2656 31.3553 177.5051 89 F 5.0881 8.2344 121.1055 61.1242 39.2239 176.7559 90 I 2.6258 7.5823 119.7209 64.4420 36.8437 177.8867 91 D 4.5335 8.4707 119.5405 57.5194 40.6938 178.6546 92 E 3.9903 7.8465 118.6830 59.4431 29.4465 179.3510 93 I 3.3453 7.5378 120.0418 64.1013 36.9967 178.3872 94 W 4.3883 8.0007 119.9866 59.7890 28.6867 178.4483 95 S 4.2744 8.3101 114.1305 61.7773 62.2380 176.0492 96 Q 4.2692 8.1073 123.6673 59.1274 28.7349 178.4177 97 M 4.1158 8.4851 119.1662 58.8279 32.2122 178.2877 98 T 4.0786 8.6972 116.7867 66.2145 68.5087 176.7807 99 K 3.9894 8.9184 121.8327 59.5659 32.3533 178.2915 100 E 4.2523 8.3396 116.9866 56.9194 29.4987 177.8959 101 G 3.9590 7.7601 106.7293 45.8329 0.0000 174.6364 102 K 4.4368 8.3154 120.4821 57.9961 33.1325 176.1833 103 C 5.2994 7.9611 113.0881 56.5830 33.7103 173.0374 104 L 4.7609 8.8643 120.2254 52.6786 44.8292 173.6248 105 P 4.4167 0.0000 0.0000 62.2932 32.6796 175.4112 106 I 5.0476 7.8124 116.4161 59.7508 41.5836 174.8780 107 D 4.9759 8.1502 123.7032 51.3030 41.3911 176.5551 108 Q 4.0400 8.5667 119.7085 58.4643 30.1879 177.4239 109 S 4.6492 7.8981 107.9761 58.9365 62.6810 177.7041 110 G 4.2014 8.5122 112.9749 43.5121 0.0000 170.7952 111 R 3.9587 8.8744 120.7837 57.0696 30.3581 177.1623 112 R 4.4714 8.5660 126.8429 54.6504 32.6739 174.4931 113 S 3.7317 9.0050 121.5744 58.8421 63.1530 173.6952 114 S 3.6930 9.1515 112.1268 62.2852 62.2741 175.6731 115 N 4.2377 8.5860 117.3747 57.2794 39.3461 177.0094 116 T 3.7579 7.1232 108.2777 62.6908 69.9883 173.8777 117 T 3.2401 10.7500 116.1026 65.5626 65.7532 171.1858 118 T 4.1575 7.7636 114.9307 61.7076 68.0426 173.8649 119 T 4.3577 8.9338 124.3951 63.5138 69.3325 173.8312 120 R 4.8813 7.2252 115.9167 55.3365 33.4416 173.1769 121 Y 5.0240 8.9711 115.4499 56.1890 42.2822 175.1093 122 F 5.1815 9.0144 125.2429 56.8200 40.8701 174.8330 123 I 4.4215 8.8942 128.7296 61.3160 37.8151 177.4935 124 L 4.5243 9.1889 130.4248 52.9633 39.7978 177.3470 125 W 4.5318 8.0898 116.0152 57.3137 29.1471 177.2148 126 K 4.2597 7.2619 119.5306 53.4072 34.5012 176.2321 127 S 4.2465 8.4837 119.8258 58.4385 64.0983 175.2067 128 L 4.1300 8.3542 125.0738 58.2494 41.5038 179.2850 129 D 4.2957 8.2181 118.2838 57.5508 40.7307 178.7355 130 S 4.0446 7.8205 112.8396 61.3425 62.3879 176.1295 131 W 4.4026 8.6415 121.5283 59.8274 28.8576 178.0100 132 A 4.2214 8.7013 122.7244 54.7239 17.0897 179.8875 133 S 4.0832 8.2767 113.2630 61.8102 63.0269 176.4800 134 L 4.5856 8.1687 122.9294 58.5837 41.8885 179.1774 135 I 3.8089 8.5650 119.8910 64.2801 37.1908 177.7438 136 L 4.0660 8.4676 121.6229 58.8502 41.7469 178.3566 137 Q 4.0541 9.6874 119.1009 59.3525 28.6551 178.3710 138 W 4.4458 8.4420 128.6882 60.8034 30.9022 177.4405 139 F 3.7403 8.5831 116.8933 60.8332 38.4908 177.8817 140 E 4.0203 8.2369 117.0081 59.5443 29.1562 178.9384 141 D 4.7155 8.6142 114.4671 55.3983 40.8032 177.0109 142 S 4.3326 7.2259 113.6055 57.2587 65.2336 176.8112 143 G 4.1556 8.7475 110.0935 47.0222 0.0000 176.2765 144 K 4.8104 8.0032 116.0222 57.1887 31.8053 178.0978 145 L 4.2343 8.2927 120.0842 56.4492 41.9004 177.4507 146 N 4.3609 8.8724 114.1080 53.6330 41.6493 174.5538 147 Q 4.3558 8.1043 117.0945 55.5912 31.2284 174.8902 148 V 4.6596 8.3853 119.3186 61.7359 32.8527 174.6593 149 I 4.7196 8.7021 128.1255 59.1071 40.8641 175.1784 150 T 4.6907 8.3352 117.4012 60.8726 70.2515 175.6915 151 L 3.9758 8.8198 122.6643 57.6545 41.4375 179.2533 152 Y 4.1773 7.8611 120.5377 60.2917 38.6817 177.7457 153 E 4.1041 7.8870 117.4493 58.9618 29.7425 178.1382 154 L 3.6708 7.4693 119.8665 58.2010 42.2477 177.4101 155 S 4.2029 7.8853 113.3751 59.4522 62.0132 176.1367 156 E 3.6231 7.9529 123.2795 59.4641 29.4375 177.7362 *159 E 4.3638 8.3656 123.0197 56.4487 32.1776 177.0167 160 T 4.5725 7.9689 114.7468 64.0669 70.4418 174.8664 161 V 4.0356 7.4818 114.0541 60.4609 32.7232 175.3924 162 N 4.4923 8.9990 119.2633 53.3298 39.9646 174.3594 163 W 4.5568 8.0307 117.5182 54.4116 30.8398 176.8400 164 E 4.2462 9.1669 118.6750 60.1894 29.0065 178.8700 165 F 4.5605 8.4067 111.2427 57.7479 38.4827 174.6301 166 H 4.3703 8.0620 122.4017 58.0782 29.9377 175.4036 167 R 3.8404 7.9668 123.2279 56.3526 28.4564 176.3307 168 M 2.5500 7.4137 118.5278 53.6936 32.7661 174.8231 169 P 4.0746 0.0000 0.0000 62.7598 33.4139 177.5144 170 E 3.7868 8.3749 119.9431 59.4536 29.3201 179.5795 171 S 4.0708 7.8953 112.7234 61.7465 62.6060 176.1739 172 L 4.0905 7.4031 121.5425 56.5180 41.2890 178.8788 173 L 3.6200 7.4441 120.7088 58.0303 41.9971 178.0092 174 Y 3.9833 8.3660 119.8268 61.2846 38.3890 178.1204 175 Y 3.8146 7.5016 114.9157 60.6942 38.2721 177.6475 176 C 4.3735 8.1612 117.5539 61.7818 27.9501 175.7431 177 L 4.0608 7.5385 120.3887 56.8996 41.4744 178.7526 178 K 3.7643 7.4585 119.9218 59.2444 31.7888 176.3382 179 P 4.3737 0.0000 0.0000 65.8977 31.0447 178.4500 180 L 3.8308 9.0539 118.2802 57.6367 41.2492 179.2361 181 C 4.4570 8.0502 118.0264 61.3196 28.2503 174.2441 182 D 4.5000 7.0400 119.2687 55.0495 41.1900 177.1907 183 R 3.9225 8.3610 118.0408 56.5677 27.5047 176.5608 184 N 4.1638 7.1189 113.6215 54.4109 36.7986 174.8583 185 R 4.5692 8.0693 117.6068 56.3821 31.9515 176.4693 186 A 5.0376 7.4761 119.6799 51.0076 23.1559 175.0505 187 T 4.6274 8.9081 115.6239 62.0929 72.3051 173.3846 188 M 4.8136 8.6835 124.8395 53.8435 34.4881 175.2990 189 L 4.8418 8.6478 121.6784 52.8842 44.6959 176.2860 190 K 4.9828 8.7100 123.0856 55.5943 35.5194 175.2708 191 D 4.8230 8.3577 120.7113 51.4227 41.6879 176.4881 192 E 3.8586 8.7668 116.0138 59.4704 29.5967 177.5158 193 N 4.5674 8.1735 118.0498 57.2102 38.2660 175.6859 194 D 4.1678 7.0847 113.9553 55.6626 39.1325 175.7104 195 K 4.3144 7.5617 123.9399 53.9381 34.1570 175.0323 196 V 4.0032 8.2366 126.3029 63.6978 32.0778 175.0440 197 I 4.5028 8.9032 126.5295 62.0699 40.7091 174.7928 198 A 4.9675 7.5555 121.2463 51.2121 23.3012 174.3154 199 I 4.8617 8.8554 116.3723 60.2029 42.1731 173.4880 200 K 5.2035 8.8451 125.7629 53.3931 35.1936 177.2374 201 V 4.8062 7.6004 118.8281 58.9266 31.9541 175.8016 202 V 4.8213 7.6014 122.5028 62.9191 31.2243 175.1996 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 8.30 4.38 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 S 8.21 4.43 0.00 3.87 3.79 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 3 A 9.06 3.87 0.83 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 4 L 7.42 4.55 0.00 1.47 1.14 0.59 0.05 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 5 P 0.00 4.55 0.00 2.18 1.96 0.00 3.61 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 2.07 2.06 0.00 6 P 0.00 4.40 0.00 2.14 2.09 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 7 V 7.77 3.79 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 0.87 0.00 0.00 0.96 0.00 0.00 8 Y 7.66 4.28 0.00 2.94 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 9 S 7.78 4.47 0.00 4.14 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 10 F 8.63 4.76 0.00 2.98 3.18 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 11 P 0.00 3.99 0.00 1.99 1.92 0.00 3.48 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 12 P 0.00 4.31 0.00 1.22 1.88 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 1.17 1.72 0.00 13 L 8.00 4.19 0.00 1.76 1.93 0.87 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.89 4.28 0.00 3.06 3.12 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 15 T 7.34 4.27 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 1.15 0.00 0.00 16 R 8.19 3.17 0.00 0.94 1.40 0.00 2.80 0.00 0.00 2.93 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 17 Q 7.77 4.38 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 18 P 0.00 4.29 0.00 2.14 2.04 0.00 3.85 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 19 N 8.58 4.82 0.00 2.84 2.82 0.00 0.00 6.72 7.63 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 20 S 8.47 4.11 0.00 3.93 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 21 L 7.93 3.92 0.00 1.85 1.68 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.13 3.94 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 1.24 0.00 0.00 23 R 8.43 3.94 0.00 2.08 2.06 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.73 0.00 24 R 8.03 3.90 0.00 2.13 2.29 0.00 3.22 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 25 Q 8.49 3.99 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 26 Q 8.26 4.05 0.00 2.24 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.89 0.00 0.00 0.00 0.00 0.00 2.98 2.77 0.00 27 I 8.59 3.68 1.92 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 1.46 1.18 0.83 0.00 0.00 28 S 7.77 4.17 0.00 4.00 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 29 T 8.17 3.81 4.41 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 0.00 0.00 0.00 0.98 0.00 0.00 30 W 8.04 3.88 0.00 3.37 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 31 I 8.52 3.67 2.05 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 1.58 1.22 0.97 0.00 0.00 32 D 8.80 4.38 0.00 2.72 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 33 I 8.05 3.68 1.96 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.60 0.90 0.00 0.00 34 I 8.04 3.73 2.12 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.82 1.05 0.00 0.00 35 S 8.11 4.29 0.00 4.09 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.18 3.76 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 37 Y 8.17 3.84 0.00 3.06 3.02 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 38 C 8.72 3.96 0.00 3.14 3.28 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 39 K 7.98 2.00 0.00 0.79 1.36 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.80 0.21 7.81 40 T 7.20 3.55 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 1.03 0.00 0.00 41 K 7.34 4.02 0.00 1.26 1.61 0.00 1.42 0.00 0.00 1.51 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.04 0.53 7.81 42 K 7.29 3.47 0.00 1.75 1.80 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.26 1.54 7.81 43 I 7.43 4.33 1.85 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.65 1.08 0.00 0.00 44 W 8.64 5.20 0.00 2.96 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 2.39 2.65 0.00 141 D 8.61 4.72 0.00 2.99 2.91 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 0.00 142 S 7.23 4.33 0.00 2.76 3.10 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 0.00 0.00 0.00 0.00 143 G 8.75 4.16 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 0.00 144 K 8.00 4.81 0.00 1.49 1.83 0.00 1.04 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.21 7.81 145 L 8.29 4.23 0.00 1.74 1.67 1.04 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 146 N 8.87 4.36 0.00 2.66 2.75 0.00 0.00 7.11 7.54 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 0.00 147 Q 8.10 4.36 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.63 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 148 V 8.39 4.66 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 0.81 0.00 0.00 0.96 0.00 0.00 149 I 8.70 4.72 2.04 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 1.35 1.44 1.31 0.00 0.00 150 T 8.34 4.69 4.37 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 1.24 0.00 0.00 151 L 8.82 3.98 0.00 1.82 1.66 0.91 0.81 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 0.00 152 Y 7.86 4.18 0.00 3.20 2.91 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 0.00 153 E 7.89 4.10 0.00 2.18 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 2.38 2.42 0.00 154 L 7.47 3.67 0.00 1.76 1.55 0.25 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.89 4.20 0.00 3.80 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 7.95 3.62 0.00 1.44 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 *159 E 8.37 4.36 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 160 T 7.97 4.57 4.56 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 1.39 0.00 0.00 161 V 7.48 4.04 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 -0.09 0.00 0.00 1.07 0.00 0.00 162 N 9.00 4.49 0.00 2.71 2.84 0.00 0.00 7.05 7.95 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 0.00 163 W 8.03 4.56 0.00 2.29 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 0.00 164 E 9.17 4.25 0.00 2.42 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 2.54 2.50 0.00 165 F 8.41 4.56 0.00 2.92 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 4.37 0.00 3.12 3.42 0.00 6.02 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 0.00 167 R 7.97 3.84 0.00 2.11 2.27 0.00 3.39 0.00 0.00 3.03 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.73 0.00 168 M 7.41 2.55 0.00 1.32 0.76 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.49 0.00 169 P 0.00 4.07 0.00 1.64 1.74 0.00 2.33 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.83 0.00 170 E 8.37 3.79 0.00 1.92 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 2.26 2.26 0.00 171 S 7.90 4.07 0.00 4.05 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 0.00 172 L 7.40 4.09 0.00 0.63 0.13 -0.47 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 173 L 7.44 3.62 0.00 1.70 1.59 0.47 0.25 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 0.00 174 Y 8.37 3.98 0.00 2.86 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 Y 7.50 3.81 0.00 3.30 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 C 8.16 4.37 0.00 2.96 3.01 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 0.00 177 L 7.54 4.06 0.00 1.59 1.55 0.82 0.74 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 0.00 178 K 7.46 3.76 0.00 1.45 1.63 0.00 1.30 0.00 0.00 1.19 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.45 7.81 179 P 0.00 4.37 0.00 2.17 2.24 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 180 L 9.05 3.83 0.00 1.92 1.59 0.89 0.73 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 0.00 181 C 8.05 4.46 0.00 2.96 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 D 7.04 4.50 0.00 2.93 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 0.00 183 R 8.36 3.92 0.00 2.04 2.08 0.00 3.29 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 184 N 7.12 4.16 0.00 2.80 2.96 0.00 0.00 6.80 7.54 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 0.00 185 R 8.07 4.57 0.00 1.74 1.87 0.00 3.27 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 186 A 7.48 5.04 1.07 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 0.00 0.00 187 T 8.91 4.63 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 0.00 188 M 8.68 4.81 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 189 L 8.65 4.84 0.00 1.57 1.53 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 190 K 8.71 4.98 0.00 1.73 1.76 0.00 1.52 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.38 7.81 191 D 8.36 4.82 0.00 2.85 2.84 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 0.00 192 E 8.77 3.86 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 193 N 8.17 4.57 0.00 2.72 2.80 0.00 0.00 7.23 7.62 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 0.00 194 D 7.08 4.17 0.00 2.63 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 0.00 195 K 7.56 4.31 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.27 7.81 196 V 8.24 4.00 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 0.91 0.00 0.00 0.90 0.00 0.00 197 I 8.90 4.50 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.90 0.00 0.00 198 A 7.56 4.97 1.24 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 0.00 0.00 199 I 8.86 4.86 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.08 1.02 0.00 0.00 200 K 8.85 5.20 0.00 1.88 1.90 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.19 7.81 201 V 7.60 4.81 1.69 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 0.51 0.00 0.00 -0.21 0.00 0.00 202 V 7.60 4.82 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 0.93 0.00 0.00 1.09 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.