NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3276 8.1227 122.4597 52.1077 19.1404 174.7733 32 E 4.3221 8.0493 121.5218 53.3187 31.4975 170.5434 33 V 4.3788 8.7889 125.7875 59.7748 34.9486 174.0303 34 L 4.7519 8.6454 125.5909 54.6684 41.7386 176.7418 35 L 4.5121 9.3685 124.1239 56.3507 43.1537 177.0481 36 L 4.7204 7.7365 119.2034 53.6827 46.0505 174.5836 37 D 5.1160 8.7739 124.7413 52.6463 43.3306 175.8161 38 S 4.2493 9.2726 122.2016 60.5827 63.1362 175.4140 39 K 4.2720 8.0823 118.7461 56.2124 32.1327 176.6480 40 A 4.2726 8.2055 125.9714 51.9946 19.0051 179.2075 41 Q 4.1901 8.7920 118.0946 58.2407 29.0714 179.7616 42 Q 4.3501 7.1488 110.6036 56.5103 28.1151 179.0530 *46 E 4.2163 8.5784 121.5028 56.2187 31.0454 174.0867 47 W 4.8314 8.6979 122.2962 56.4466 30.2296 175.8975 48 I 4.3071 8.2252 122.3993 61.0922 37.9858 175.1755 49 S 5.3852 8.7704 122.2126 57.0247 65.5733 173.9641 50 S 4.6082 9.2590 118.7796 56.1763 65.2330 171.8604 51 P 4.7784 0.0000 0.0000 61.8074 31.9619 175.7442 52 P 4.3831 0.0000 0.0000 65.5807 31.3801 177.0521 53 N 4.9014 8.2303 113.9688 53.0310 39.6953 175.2788 54 G 3.5330 8.3926 109.4339 46.7139 0.0000 176.0462 55 W 4.5618 9.3596 116.9174 56.6826 30.7107 176.5251 56 E 4.9130 9.4580 124.0027 54.2028 32.9007 174.8347 57 E 3.8337 8.9503 125.3779 56.1317 30.5827 175.8273 58 I 4.6630 8.8494 127.9374 59.4792 40.7386 174.7285 59 S 5.1293 8.6656 120.7831 57.0543 66.2139 173.8699 60 G 4.0439 8.4522 106.2822 45.9511 0.0000 171.7955 61 L 5.2399 8.2965 119.8853 52.8095 45.8975 175.9368 62 D 4.5928 8.8042 122.7618 53.8026 41.5497 177.3588 63 E 3.7615 8.4760 118.9320 59.4082 29.3464 178.0629 64 N 4.5995 7.9189 113.3396 53.0271 38.9261 174.8234 65 Y 3.5965 7.1628 114.2730 58.9324 36.1515 169.2197 66 T 4.4351 7.5994 117.5923 62.2469 69.8368 172.4683 67 P 4.8409 0.0000 0.0000 63.0277 32.4776 175.5313 68 I 4.4416 8.5200 123.6315 59.6340 39.6760 174.5561 69 R 4.8049 8.6110 126.4035 54.5019 32.0208 175.4646 70 T 4.8802 8.4877 113.8220 59.9317 72.8333 172.3907 71 Y 5.2178 8.7999 119.7740 56.4911 41.1601 174.8689 72 Q 5.2989 9.5719 122.9345 54.2611 33.4340 174.8385 73 V 4.3763 8.1647 121.1564 59.9403 34.7963 174.2284 74 C 4.9982 8.0229 123.6833 55.4880 41.9996 173.3956 75 Q 4.4456 7.3752 116.4173 56.1983 29.3401 178.2581 76 V 3.8676 7.7286 109.5016 62.7933 31.8935 176.9040 77 M 4.2618 7.5776 119.1120 55.8639 32.9189 175.6568 78 E 4.6786 7.8097 117.3419 53.4981 31.7664 173.9261 79 P 4.4631 0.0000 0.0000 62.9433 32.6029 174.9621 80 N 4.2045 8.5322 112.6437 54.4686 35.6826 175.2490 81 Q 4.2156 7.7664 116.6542 56.1761 30.2484 176.5681 82 N 5.2860 8.3605 119.4932 52.3376 39.6047 172.6152 83 N 5.1294 8.9567 118.1968 51.6407 40.9966 175.2991 84 W 5.2793 9.5297 124.2940 54.8123 32.4596 174.7757 85 L 5.1010 8.6442 124.8385 53.2209 44.5020 174.9237 86 R 4.8782 8.6783 126.2205 54.2875 33.0118 175.1550 87 T 2.4800 8.0506 117.0656 60.2492 69.7101 173.6483 88 N 4.6416 8.1994 119.4539 52.4170 37.7446 174.3430 89 W 3.6826 8.8825 129.4439 57.6172 31.5582 174.9088 90 I 3.8899 7.1902 128.2984 58.9853 38.7149 174.9981 91 S 3.6057 7.7795 122.8105 57.6762 62.5869 174.2857 92 K 4.1800 8.8285 126.0034 57.2220 34.0627 178.4029 93 G 3.7239 7.4694 107.8414 47.3992 0.0000 173.5082 94 N 4.6561 8.7996 121.0910 52.6163 38.4903 174.7783 95 A 2.8775 7.0275 121.5523 51.7528 19.5062 176.6606 96 Q 4.0423 8.0143 118.5191 56.5220 29.9016 176.0475 97 R 4.4840 8.2179 119.4902 56.1856 32.1212 176.6172 98 I 4.4783 8.4539 123.9744 59.4559 40.6003 174.4069 99 F 4.8072 8.9538 125.4452 55.7530 41.2618 174.9789 100 V 4.8045 8.8755 123.3705 61.2101 34.0801 173.5455 101 E 5.1923 9.7744 130.1337 54.5990 31.7831 174.3052 102 L 5.3926 9.2497 127.2044 52.9839 44.9200 175.4337 103 K 5.3494 9.0776 123.5135 54.7560 34.9993 175.2167 104 F 5.4238 8.7522 117.7120 56.3542 41.6141 173.0312 105 T 4.8770 8.7213 110.8728 60.4848 71.5438 173.4892 106 L 5.1453 8.2841 124.6603 54.1675 44.9981 175.2079 107 R 4.2501 8.7961 126.5207 55.3178 31.1849 176.2222 108 D 3.5284 8.2204 122.7663 54.3626 41.4712 177.6437 109 C 4.1617 8.7537 124.3628 60.2337 40.4641 176.1218 110 N 4.1049 8.1065 116.4252 55.7688 38.1402 176.1611 111 S 4.3003 7.8628 111.1678 58.8363 63.6790 173.7811 112 L 4.5920 7.2333 122.3014 52.4729 42.8829 174.5082 113 P 4.4011 0.0000 0.0000 63.1983 32.1503 176.2565 114 G 4.0234 8.7724 108.8302 46.5636 0.0000 175.3280 115 V 4.1490 7.0764 120.9368 60.5753 30.9962 178.7191 *117 G 3.8613 8.5138 113.0586 47.2207 0.0000 172.3408 118 T 4.4709 7.9082 104.1076 61.1897 69.6727 173.7306 119 C 4.8090 7.9190 121.6211 55.8430 44.7197 172.6421 120 K 4.8647 8.7696 125.0636 54.9595 35.1859 175.8074 121 E 4.8621 8.7337 118.5918 56.2112 30.2856 175.4328 122 T 5.3286 7.7809 107.9772 60.0759 72.4851 172.2640 123 F 5.1634 8.7435 116.4983 55.4379 42.3960 172.8002 124 N 5.0407 9.2176 116.6450 51.4395 40.8070 173.9492 125 L 4.9303 8.2626 126.2118 54.3935 43.6582 175.0171 126 Y 5.5579 9.3047 123.4874 56.6641 42.3616 173.8547 127 Y 5.7903 9.6518 117.9542 56.5101 42.3089 173.3636 128 Y 4.7392 8.9315 121.2026 56.1803 42.2016 173.7543 129 E 4.5800 8.1164 126.5832 56.3994 30.5332 175.9611 130 T 4.4749 8.4602 117.1517 60.8136 70.8339 174.4475 131 D 4.2575 8.7209 126.2305 56.8610 41.2495 176.1085 132 Y 3.6973 7.0776 113.8609 55.4257 41.9119 173.9397 133 D 3.9997 7.0867 121.4354 55.0076 41.0977 176.1329 134 T 4.2283 8.8767 117.2801 60.9693 69.4434 173.7240 135 G 3.8548 7.8611 107.6145 44.6844 0.0000 175.4119 136 R 4.3134 8.1263 118.9166 54.3022 28.4344 175.0029 137 N 4.7494 7.6709 116.7196 52.0178 42.3179 173.8454 138 I 3.9980 8.1236 126.3731 59.7714 37.4347 175.6562 139 R 4.1245 7.9674 127.4609 54.2758 29.3514 176.3432 140 E 2.9314 8.0985 125.6772 58.9184 29.5556 179.6778 141 N 4.3518 7.7205 114.5803 55.7980 38.7213 176.1182 142 L 3.9139 7.3900 117.1548 56.5964 41.9043 177.1053 143 Y 4.3048 7.5143 116.2840 57.6216 38.6093 174.7906 144 V 4.6763 8.9326 123.9712 60.7963 34.0586 174.7343 145 K 3.6401 8.8734 129.5814 56.9330 32.2139 176.2018 146 I 3.9754 8.4263 129.4464 62.8373 37.7125 175.3546 147 D 4.3761 7.1823 118.2955 53.5545 44.5128 174.2032 148 T 4.2492 8.4525 119.3202 63.3978 69.5756 174.2244 149 I 4.2414 8.6462 126.7723 59.5136 39.1627 174.4700 150 A 5.1393 8.4429 128.3885 49.7097 21.4998 175.7852 151 A 4.4388 8.2543 121.1555 51.4065 19.4411 177.5488 152 D 4.3141 9.3079 119.9647 54.2192 41.4758 176.9500 153 E 3.8435 8.6910 122.8351 58.8369 29.7449 177.2923 154 S 4.6076 7.5255 111.2195 56.9851 63.9262 173.3193 155 F 4.6764 8.7087 123.5485 57.3710 39.4700 174.9824 156 T 5.1663 7.1329 109.0879 58.3055 71.4228 173.3421 *164 K 4.0658 8.1908 119.5304 56.1442 33.1361 175.8792 165 M 4.1511 8.5035 123.2287 55.0489 32.5463 175.9102 166 K 4.0416 8.4936 124.8123 56.4069 32.9181 175.9881 167 L 4.3247 8.4153 130.3987 54.0430 42.7224 175.5528 168 N 4.4827 8.6243 125.2936 53.0451 40.0028 174.5908 169 T 5.1714 8.2880 118.6404 61.8859 71.6402 173.0540 170 E 4.8345 9.5032 126.1008 54.4278 32.9290 175.1085 171 V 5.0421 8.5958 123.6034 61.1919 34.1580 174.7227 172 R 4.8173 9.0679 126.2545 54.2075 33.7869 174.0050 173 E 4.7439 8.6654 121.2376 54.4650 31.5355 174.9486 174 I 4.1252 8.6489 117.3372 59.4766 41.5703 175.2406 175 G 3.5140 8.2277 109.3847 43.7650 0.0000 171.2896 176 P 4.8186 0.0000 0.0000 62.0030 31.8330 176.1101 177 L 4.3945 7.9820 121.5451 53.8944 42.6507 177.2759 178 S 4.3068 8.6083 116.1778 59.0672 63.7698 173.9196 179 K 4.5153 7.5807 120.0635 54.4146 34.3872 176.2678 180 K 4.1460 8.7528 118.9023 58.9904 33.2666 177.0350 181 G 4.0739 7.6501 106.1700 46.5495 0.0000 171.8157 182 F 5.1158 7.0447 112.3845 56.5247 41.5585 172.5407 183 Y 4.9224 8.8475 117.6193 56.3479 40.8491 174.8586 184 L 5.2859 8.4171 122.2096 53.3165 44.3723 175.4945 185 A 4.6135 8.7129 123.4962 49.9461 23.2009 174.8787 186 F 5.1916 8.5944 118.8912 55.6686 42.4456 173.8975 187 Q 4.5982 9.1939 126.0723 54.2320 30.8997 173.5183 188 D 5.0598 9.5521 127.3103 52.9762 42.8380 176.9473 189 V 4.9816 8.2730 116.7343 60.0072 32.8426 174.4798 190 G 3.4032 7.7922 108.4689 46.1798 0.0000 173.4025 191 A 5.0083 8.6064 121.7160 50.1430 22.3968 176.2809 192 C 4.8463 8.4008 119.8510 55.0239 43.4741 171.8428 193 I 5.3003 8.7002 125.5409 58.9101 40.8657 174.3553 194 A 5.0256 8.7789 127.0712 50.0816 21.7491 175.1600 195 L 4.5764 9.4988 126.4935 55.1865 42.3207 177.1261 196 V 4.1355 9.0165 127.7004 64.3986 32.9792 176.1423 197 S 4.7438 7.8082 113.7308 56.9908 66.1736 173.2295 198 V 5.0423 9.3146 126.6281 61.2561 34.6301 174.1169 199 K 5.3194 9.4636 127.2906 54.6344 35.8530 175.3231 200 V 5.1409 9.2621 125.0587 61.3353 34.3611 173.8724 201 Y 5.5599 8.6062 124.7328 56.3858 42.0373 172.8350 202 Y 5.5417 8.7627 117.3651 55.3917 42.0700 173.9943 203 K 4.8119 9.0469 118.8878 55.1462 35.2416 176.0897 204 K 4.3619 8.0461 120.9648 56.7004 31.9232 175.6146 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 31 A 8.12 4.33 1.26 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 32 E 8.05 4.32 0.00 1.98 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 2.19 2.36 0.00 33 V 8.79 4.38 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.89 0.00 0.00 34 L 8.65 4.75 0.00 1.59 1.72 0.96 1.11 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 35 L 9.37 4.51 0.00 1.70 1.75 1.09 1.43 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 36 L 7.74 4.72 0.00 1.72 1.51 1.11 1.14 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 37 D 8.77 5.12 0.00 2.77 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 38 S 9.27 4.25 0.00 4.01 4.30 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 39 K 8.08 4.27 0.00 2.02 1.89 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.39 7.81 40 A 8.21 4.27 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 41 Q 8.79 4.19 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.00 0.00 42 Q 7.15 4.35 0.00 2.13 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.40 0.00 0.00 0.00 0.00 0.00 2.47 2.58 0.00 *46 E 8.58 4.22 0.00 2.01 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 2.13 1.91 0.00 47 W 8.70 4.83 0.00 2.82 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 48 I 8.23 4.31 1.88 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 1.30 0.68 0.95 0.00 0.00 49 S 8.77 5.39 0.00 3.89 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 50 S 9.26 4.61 0.00 3.84 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 51 P 0.00 4.78 0.00 2.31 2.20 0.00 3.99 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 52 P 0.00 4.38 0.00 2.11 2.22 0.00 3.71 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 2.06 2.16 0.00 53 N 8.23 4.90 0.00 2.74 2.84 0.00 0.00 6.82 7.65 0.00 0.00 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 G 8.39 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 55 W 9.36 4.56 0.00 3.30 3.35 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 56 E 9.46 4.91 0.00 1.91 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 0.00 2.30 2.29 0.00 57 E 8.95 3.83 0.00 1.75 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 0.00 1.47 1.91 0.00 58 I 8.85 4.66 1.81 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 1.24 1.02 0.87 0.00 0.00 59 S 8.67 5.13 0.00 3.81 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.45 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.30 5.24 0.00 1.54 1.47 1.02 1.07 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 62 D 8.80 4.59 0.00 2.81 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 63 E 8.48 3.76 0.00 1.87 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 2.22 2.26 0.00 64 N 7.92 4.60 0.00 2.70 2.88 0.00 0.00 6.97 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 65 Y 7.16 3.60 0.00 3.15 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 66 T 7.60 4.44 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 67 P 0.00 4.84 0.00 2.05 2.05 0.00 3.73 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 1.98 2.00 0.00 68 I 8.52 4.44 1.83 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 1.20 0.80 0.88 0.00 0.00 69 R 8.61 4.80 0.00 1.49 1.57 0.00 3.01 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 70 T 8.49 4.88 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 1.19 0.00 0.00 71 Y 8.80 5.22 0.00 3.03 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 72 Q 9.57 5.30 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 73 V 8.16 4.38 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 -0.79 0.00 0.00 0.59 0.00 0.00 74 C 8.02 5.00 0.00 2.81 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 75 Q 7.38 4.45 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.07 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 76 V 7.73 3.87 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 0.63 0.00 0.00 0.90 0.00 0.00 77 M 7.58 4.26 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 78 E 7.81 4.68 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 79 P 0.00 4.46 0.00 2.18 2.07 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 80 N 8.53 4.20 0.00 2.91 2.96 0.00 0.00 6.95 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 81 Q 7.77 4.22 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.57 2.33 0.00 82 N 8.36 5.29 0.00 2.72 2.79 0.00 0.00 7.04 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 83 N 8.96 5.13 0.00 2.59 2.77 0.00 0.00 6.89 7.30 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 84 W 9.53 5.28 0.00 3.33 3.00 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 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 2.42 0.00 102 L 9.25 5.39 0.00 1.91 1.80 1.16 0.96 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 0.00 103 K 9.08 5.35 0.00 1.75 1.73 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.43 7.81 104 F 8.75 5.42 0.00 3.34 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 0.00 105 T 8.72 4.88 4.31 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 1.23 0.00 0.00 106 L 8.28 5.15 0.00 2.15 1.91 1.38 1.15 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 0.00 107 R 8.80 4.25 0.00 1.73 1.79 0.00 3.21 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 108 D 8.22 3.53 0.00 1.58 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 0.00 0.00 0.00 0.00 109 C 8.75 4.16 0.00 3.01 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.21 0.00 0.00 119 C 7.92 4.81 0.00 2.94 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 0.00 120 K 8.77 4.86 0.00 1.75 1.71 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.54 7.81 121 E 8.73 4.86 0.00 2.11 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 0.00 2.47 2.33 0.00 122 T 7.78 5.33 4.29 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 1.25 0.00 0.00 123 F 8.74 5.16 0.00 3.42 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 0.00 124 N 9.22 5.04 0.00 2.77 2.62 0.00 0.00 7.02 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 0.00 125 L 8.26 4.93 0.00 1.78 1.56 1.06 0.77 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 0.00 126 Y 9.30 5.56 0.00 3.07 3.22 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 0.00 127 Y 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0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.31 0.00 1.84 1.94 0.00 3.29 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 137 N 7.67 4.75 0.00 2.57 2.57 0.00 0.00 7.20 7.94 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 0.00 138 I 8.12 4.00 1.68 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 1.13 0.64 0.43 0.00 0.00 139 R 7.97 4.12 0.00 1.69 1.63 0.00 3.05 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 140 E 8.10 2.93 0.00 1.47 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 1.47 1.47 0.00 141 N 7.72 4.35 0.00 2.58 2.80 0.00 0.00 6.94 7.85 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 0.00 142 L 7.39 3.91 0.00 0.90 0.40 0.50 0.70 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 0.00 143 Y 7.51 4.30 0.00 3.12 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.42 4.32 0.00 1.64 1.53 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 168 N 8.62 4.48 0.00 1.44 2.06 0.00 0.00 6.38 7.64 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 0.00 169 T 8.29 5.17 4.24 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 1.35 0.00 0.00 170 E 9.50 4.83 0.00 2.09 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 2.44 2.60 0.00 171 V 8.60 5.04 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 1.09 0.00 0.00 1.06 0.00 0.00 172 R 9.07 4.82 0.00 1.65 1.64 0.00 3.24 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 173 E 8.67 4.74 0.00 1.16 1.28 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 2.01 2.02 0.00 174 I 8.65 4.13 1.32 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.77 0.46 0.00 0.00 175 G 8.23 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 176 P 0.00 4.82 0.00 1.97 1.89 0.00 3.64 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 177 L 7.98 4.39 0.00 1.50 1.65 0.38 0.81 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 0.00 178 S 8.61 4.31 0.00 3.92 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 0.00 179 K 7.58 4.52 0.00 1.79 1.68 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.27 7.81 180 K 8.75 4.15 0.00 1.80 1.89 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 181 G 7.65 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 0.00 0.00 0.00 182 F 7.04 5.12 0.00 3.24 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 0.00 183 Y 8.85 4.92 0.00 3.26 2.95 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 0.00 0.00 0.00 184 L 8.42 5.29 0.00 1.33 1.18 1.04 1.02 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 0.00 185 A 8.71 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.59 5.19 0.00 2.32 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 0.00 187 Q 9.19 4.60 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 1.99 1.29 0.00 188 D 9.55 5.06 0.00 2.55 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 0.00 0.00 0.00 189 V 8.27 4.98 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 1.14 0.00 0.00 0.98 0.00 0.00 190 G 7.79 3.40 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 0.00 191 A 8.61 5.01 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 0.00 192 C 8.40 4.85 0.00 2.97 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 0.00 193 I 8.70 5.30 1.60 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.51 0.87 0.00 0.00 194 A 8.78 5.03 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 0.00 195 L 9.50 4.58 0.00 1.64 1.75 0.77 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 196 V 9.02 4.14 2.26 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 0.80 0.00 0.00 0.99 0.00 0.00 197 S 7.81 4.74 0.00 3.96 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 0.00 198 V 9.31 5.04 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 1.18 0.00 0.00 1.11 0.00 0.00 199 K 9.46 5.32 0.00 1.90 1.86 0.00 1.67 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.45 7.81 200 V 9.26 5.14 2.28 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 1.22 0.00 0.00 1.07 0.00 0.00 201 Y 8.61 5.56 0.00 3.22 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 0.00 202 Y 8.76 5.54 0.00 3.28 3.06 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 0.00 203 K 9.05 4.81 0.00 2.08 1.88 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.64 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 0.98 7.81 204 K 8.05 4.36 0.00 1.81 1.69 0.00 1.98 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.47 7.81 * Residues marked with a * may have inaccurate shift predictions.