NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 51 R 4.3981 8.2431 121.0000 56.6795 31.6359 176.7436 52 G 4.0718 9.1004 104.1723 44.8198 0.0000 171.5689 53 C 5.0575 9.5472 114.7078 57.8208 34.2941 171.1723 54 T 5.0843 8.8408 116.1050 61.9068 70.6740 174.1577 55 V 4.2425 9.0758 128.2580 61.7963 32.4187 174.5724 56 W 4.9245 9.0334 135.0000 54.9269 30.3139 174.7158 57 L 4.7011 8.2073 125.9609 54.8213 42.1668 176.4110 58 T 5.0880 8.9910 116.6435 59.8364 71.3526 173.1117 59 G 4.6063 8.2379 116.0240 44.8935 0.0000 171.7668 60 L 3.9427 7.2636 119.8332 53.8486 42.2469 176.9999 61 S 4.1828 8.2609 115.5136 60.0078 62.4846 174.6982 62 G 3.8663 8.9022 115.0756 45.4851 0.0000 173.9741 63 A 3.9213 7.7576 123.1655 54.3303 18.6709 177.6696 64 G 3.4519 8.3191 104.2602 45.5088 0.0000 175.7919 65 K 3.8299 8.2167 121.8982 59.5759 32.0753 178.9865 66 T 3.7325 7.7871 115.3569 67.0849 68.3700 176.5380 67 T 3.7915 7.7008 116.7321 66.5576 68.5821 176.7785 68 V 3.5115 8.0666 120.7638 65.9290 31.5121 178.1562 69 S 4.0426 8.2517 114.3465 61.7904 62.7935 176.3121 70 M 3.9646 8.0991 122.2861 57.9595 31.6683 178.6900 71 A 3.9995 7.9621 120.9120 54.9116 18.4945 179.4866 72 L 3.8789 8.3836 119.3602 58.1583 42.0965 178.7526 73 E 3.9171 8.5314 119.7013 59.2991 29.6064 178.4533 74 E 3.9514 8.0929 118.5281 59.6574 29.4445 178.7853 75 Y 3.9671 8.0293 119.1909 60.7240 38.8483 177.9465 76 L 4.1015 8.3363 120.0250 57.9606 41.7051 179.7981 77 V 3.6236 8.0772 118.4458 66.0354 31.3581 177.3460 78 C 4.3143 7.8440 111.1973 59.8714 29.6725 174.1144 79 H 4.6345 7.4480 118.3014 54.9531 28.5785 174.9320 80 G 3.8643 8.0150 108.3645 46.3822 0.0000 173.5268 81 I 4.5437 7.8914 121.2322 58.3909 38.5381 174.2216 82 P 4.6495 0.0000 0.0000 63.2532 32.4703 175.0144 83 C 5.7108 8.3539 113.9288 58.9673 31.9773 172.2673 84 Y 4.8654 8.2020 120.3876 56.6058 42.2404 173.2495 85 T 4.7996 6.8165 121.8148 61.6974 70.9626 173.7425 86 L 4.7750 8.7236 126.4609 53.2560 44.1956 175.5311 87 D 3.7224 9.2072 123.0900 50.7052 43.0151 176.2179 88 G 3.7521 8.3709 103.6994 48.2137 0.0000 175.4083 89 D 4.3910 7.9224 120.3127 56.5856 40.9732 177.5788 90 N 4.8096 8.1895 113.8881 53.1517 38.4504 175.7386 91 I 4.3433 7.5819 121.6904 63.1458 38.1744 177.5758 92 R 3.9544 8.0234 119.8141 59.1971 30.0238 177.6199 93 Q 4.7489 8.1658 113.1750 55.3116 30.8751 175.1960 94 G 3.8336 8.1947 106.5385 45.4573 0.0000 175.1785 95 L 3.9580 9.5619 121.3975 57.8875 43.1069 176.3588 96 N 4.9751 8.2520 114.4348 52.8112 38.6262 177.0695 97 K 4.2815 8.3382 120.1312 58.7559 32.6811 177.1118 98 N 4.8972 8.0568 115.9474 52.4313 37.6697 174.1917 99 L 4.9443 7.7625 117.9712 53.7186 44.9529 176.9696 100 G 4.1865 9.3556 114.8907 45.3583 0.0000 173.8486 101 F 4.9926 8.7174 120.5817 57.6442 39.9369 176.8294 102 S 4.4335 7.8445 116.9632 57.5374 65.0218 172.9323 103 P 4.2737 0.0000 0.0000 66.0752 31.1505 178.6263 104 E 3.9617 8.1011 117.4415 59.3994 29.6359 178.4610 105 D 4.4547 8.0620 118.6224 57.3056 40.9428 178.9611 106 R 4.0852 8.2673 118.8171 59.1015 30.0605 178.8628 107 E 4.0454 8.2199 118.5107 59.3442 29.4575 178.9593 108 E 4.0044 8.2453 119.2789 58.8008 29.7413 178.0397 109 N 4.2486 8.5557 117.8457 56.9182 39.0029 176.9612 110 V 3.6434 7.6702 118.8080 65.9066 31.6079 177.7609 111 R 3.8958 8.0336 118.4801 59.7098 29.8138 178.7270 112 R 3.9752 8.1591 117.6650 59.2134 30.0228 179.1483 113 I 3.7542 7.8125 119.2234 64.4142 37.1433 178.2710 114 A 4.5073 8.7538 122.0079 55.5612 18.0664 179.5961 115 E 3.9905 8.5770 117.1443 59.3543 29.5820 179.8319 116 V 3.7360 8.3889 118.6236 65.9148 31.6235 177.8215 117 A 4.3164 8.7664 121.0896 55.3390 18.2206 179.4409 118 K 3.9058 8.4602 118.0259 59.6817 32.2162 178.9785 119 L 4.0129 7.8413 119.3168 57.8741 41.4416 179.5546 120 F 4.0894 8.4394 117.3009 60.3593 38.9351 177.6272 121 A 4.3100 8.5401 120.6808 55.2980 17.9951 179.2154 122 D 4.2949 8.4642 115.7766 57.4282 41.4236 178.0995 123 A 4.1510 8.3452 120.6089 53.5157 18.3363 178.2001 124 G 4.1268 7.6502 103.9792 45.1885 0.0000 173.6306 125 L 4.7408 8.3954 120.2315 53.5029 44.1681 176.2108 126 V 4.2973 8.5651 122.1662 62.7939 32.6815 174.2950 127 C 5.0093 9.4676 130.0535 58.1096 33.3926 172.0943 128 I 4.9605 8.6297 128.0469 59.8491 39.0799 174.6665 129 T 4.7586 8.7154 117.7832 60.0013 71.2389 173.7203 130 S 4.6034 7.9219 118.5189 56.2277 61.9842 172.4745 131 F 4.7753 7.8060 120.0117 54.9894 43.2343 174.7135 132 I 3.9744 8.6969 121.8123 63.0890 37.6096 176.4440 133 S 4.0124 8.0085 111.8618 58.7324 59.9243 169.6833 134 P 4.1752 0.0000 0.0000 64.9797 32.3460 176.1040 135 Y 5.0764 7.3745 116.9529 56.3771 40.3169 176.2726 136 T 3.8013 8.7543 122.0419 66.9204 68.7042 176.4618 137 Q 3.9069 8.1436 120.7451 59.4816 28.9829 178.2586 138 D 4.3500 8.0432 119.2260 57.4034 40.9526 178.8159 139 R 3.6017 7.8772 118.2238 59.0587 29.9997 178.7420 140 N 4.1183 8.1767 116.4261 56.1630 38.5343 176.7252 141 N 4.0760 8.0228 118.0190 56.6690 38.6681 176.4802 142 A 3.6863 7.5240 121.8646 55.1018 18.2961 179.4676 143 R 2.0000 7.3588 117.2300 59.0878 29.9437 178.8164 144 Q 3.8296 7.7514 117.7391 58.6323 28.4391 178.2714 145 I 3.5804 7.3562 120.1873 64.9418 37.3685 177.8099 146 H 4.3094 7.7028 116.0885 58.9978 28.7127 177.8368 147 E 4.0585 8.2206 120.4104 59.0120 29.0530 179.4639 148 G 3.6832 8.2215 104.8371 46.4756 0.0000 174.4390 149 A 4.5645 7.5692 119.9450 50.7119 20.0226 176.0062 150 S 3.6746 7.7279 112.3861 59.6784 60.9268 171.8519 151 L 4.6820 8.0036 120.1655 52.3601 43.0682 175.5454 152 P 4.1198 0.0000 0.0000 63.2496 32.4407 174.9370 153 F 4.8535 8.2309 125.7094 56.2859 42.3006 173.6121 154 F 4.8281 8.4630 125.4717 55.6009 41.3857 174.3443 155 E 4.6818 9.7311 127.1748 55.4817 30.8110 175.2843 156 V 4.6688 8.9543 128.4721 61.0882 34.1233 174.2752 157 F 5.1017 9.3605 132.4581 57.7958 40.3246 174.8964 158 V 4.1819 9.4542 128.8163 61.9402 31.8420 173.9496 159 D 4.3242 8.8442 129.0202 52.0068 42.4220 174.4716 160 A 4.7982 7.9963 126.6791 49.0739 22.4374 173.8796 161 P 4.3194 0.0000 0.0000 62.1676 32.5310 177.1834 162 L 3.8802 8.7877 122.9151 58.8561 41.8550 178.7251 163 H 4.0521 8.3525 117.3708 59.6051 29.7082 177.0210 164 V 3.4947 7.7001 119.0430 66.2335 31.3540 177.3831 165 C 4.0279 8.0789 116.4290 63.0136 27.6820 176.1205 166 E 3.9983 7.9645 119.1782 59.2439 29.3160 178.9006 167 Q 4.0718 7.7237 116.3177 58.0633 28.6984 178.6742 168 R 4.0186 7.5058 118.6101 57.9137 31.7740 176.2290 169 D 4.3184 7.5615 114.8471 55.5210 39.9798 174.0280 170 V 3.5484 7.6503 116.7934 64.7482 32.4871 177.4633 *191 E 4.1752 7.6920 112.5906 55.3605 31.1604 175.6838 192 Y 4.2891 8.2356 117.1035 58.9579 40.1810 173.8921 193 E 4.6034 7.7281 125.9503 54.0427 31.4724 176.2023 194 K 3.7405 8.5420 124.7788 55.3869 32.7934 175.4691 195 P 4.0377 0.0000 0.0000 63.3897 31.8731 176.2061 196 E 4.0608 8.7617 122.2609 58.8941 30.0469 177.7571 197 A 4.6973 7.3897 119.8460 49.6254 18.9914 173.5624 198 P 4.5977 0.0000 0.0000 61.6610 32.7266 177.5987 199 E 4.2759 8.8433 119.6082 59.5180 30.1101 177.1682 200 L 4.6799 8.1111 120.1525 53.5890 46.0997 174.6145 201 V 4.8005 8.4667 124.9847 61.2030 33.7921 174.6904 202 L 4.4629 8.8387 128.1835 53.0097 43.7781 176.1391 203 K 4.5952 8.4827 125.3818 56.0119 31.4342 177.7077 204 T 4.2414 8.3012 114.9548 62.7020 68.9615 175.8235 205 D 4.4807 8.1455 121.6930 54.9283 40.0199 176.9704 206 S 4.6377 7.9308 111.4520 57.7315 64.6457 173.4213 207 C 4.7912 7.7916 119.0185 57.6571 30.5887 174.0736 208 D 4.6456 8.2417 123.3622 52.3560 41.5423 177.6090 209 V 3.5281 8.2200 118.6232 66.5440 31.3525 177.6776 210 N 4.2966 8.0623 115.3938 56.3658 38.5358 177.0248 211 D 4.3354 8.6651 120.6090 57.4351 40.8516 178.6352 212 C 4.0778 8.1402 117.3001 62.6010 28.0328 176.1075 213 V 3.4141 7.8651 120.0218 66.3130 31.0281 178.0854 214 Q 3.7321 7.9205 117.4305 58.8615 28.4137 179.0999 215 Q 3.8777 7.7188 118.6527 58.8870 28.7810 178.9189 216 V 3.4036 7.5657 119.1932 65.9204 31.4764 178.1537 217 V 3.4361 7.7973 118.2515 65.9594 31.1507 177.6832 218 E 4.0126 8.3366 118.6728 59.3437 29.1896 179.0221 219 L 3.8002 7.6788 120.1589 58.2900 42.1021 179.1587 220 L 3.7455 7.7036 118.7063 57.7515 41.0768 179.5359 221 Q 4.0534 8.3288 118.3893 58.8143 28.3424 178.5976 222 E 4.0928 7.8056 119.0076 58.7540 29.5795 178.8826 223 R 4.6478 7.3861 115.5502 55.7141 31.7339 175.7839 224 D 4.4900 7.5748 114.2766 55.7024 39.2212 175.7608 225 I 4.1116 8.0019 120.2162 63.1815 37.9784 176.5840 226 V 3.9986 7.6537 122.4700 62.8677 31.4616 174.9564 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 51 R 8.24 4.40 0.00 1.61 1.65 0.00 3.22 0.00 0.00 3.22 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 52 G 9.10 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 53 C 9.55 5.06 0.00 3.35 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 54 T 8.84 5.08 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 1.46 0.00 0.00 55 V 9.08 4.24 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 0.99 0.00 0.00 1.01 0.00 0.00 56 W 9.03 4.92 0.00 3.05 2.67 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 0.00 0.00 0.00 0.00 57 L 8.21 4.70 0.00 1.57 1.54 0.81 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.99 5.09 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 59 G 8.24 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.26 3.94 0.00 1.55 1.45 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.26 4.18 0.00 3.78 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.90 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 63 A 7.76 3.92 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.32 3.45 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 65 K 8.22 3.83 0.00 1.70 1.74 0.00 1.74 0.00 0.00 2.02 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.47 7.81 66 T 7.79 3.73 4.15 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 1.11 0.00 0.00 67 T 7.70 3.79 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 1.16 0.00 0.00 68 V 8.07 3.51 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 0.91 0.00 0.00 0.91 0.00 0.00 69 S 8.25 4.04 0.00 3.92 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 M 8.10 3.96 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.48 0.00 71 A 7.96 4.00 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 72 L 8.38 3.88 0.00 1.71 1.85 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.53 3.92 0.00 1.99 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 2.30 2.36 0.00 74 E 8.09 3.95 0.00 2.37 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 0.00 2.34 2.44 0.00 75 Y 8.03 3.97 0.00 3.13 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 76 L 8.34 4.10 0.00 1.93 1.91 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.08 3.62 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.03 0.00 0.00 78 C 7.84 4.31 0.00 3.10 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 79 H 7.45 4.63 0.00 2.98 3.27 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.01 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 81 I 7.89 4.54 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.70 0.98 0.00 0.00 82 P 0.00 4.65 0.00 2.19 2.23 0.00 3.78 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 83 C 8.35 5.71 0.00 3.07 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 84 Y 8.20 4.87 0.00 2.91 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 0.00 0.00 0.00 0.00 85 T 6.82 4.80 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 1.06 0.00 0.00 86 L 8.72 4.78 0.00 1.62 1.74 1.08 0.85 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 87 D 9.21 3.72 0.00 2.31 2.31 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 88 G 8.37 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 7.92 4.39 0.00 2.85 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 N 8.19 4.81 0.00 2.94 2.95 0.00 0.00 5.89 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.58 4.34 2.29 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 1.70 1.30 1.00 0.00 0.00 92 R 8.02 3.95 0.00 2.00 2.23 0.00 3.19 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 93 Q 8.17 4.75 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 94 G 8.19 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 95 L 9.56 3.96 0.00 1.67 1.80 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.25 4.98 0.00 2.86 2.83 0.00 0.00 6.78 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 97 K 8.34 4.28 0.00 1.90 2.04 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.25 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.36 7.81 98 N 8.06 4.90 0.00 2.86 2.95 0.00 0.00 5.83 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 99 L 7.76 4.94 0.00 1.86 1.65 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 100 G 9.36 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.72 4.99 0.00 2.99 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 0.00 102 S 7.84 4.43 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.27 0.00 2.16 2.12 0.00 3.62 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 2.12 2.17 0.00 104 E 8.10 3.96 0.00 2.04 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 2.38 2.40 0.00 105 D 8.06 4.45 0.00 3.02 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 0.00 106 R 8.27 4.09 0.00 1.94 2.08 0.00 3.21 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 107 E 8.22 4.05 0.00 2.21 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 2.52 2.46 0.00 108 E 8.25 4.00 0.00 2.13 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 2.33 2.38 0.00 109 N 8.56 4.25 0.00 3.01 3.05 0.00 0.00 6.78 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 0.00 110 V 7.67 3.64 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.09 0.00 0.00 111 R 8.03 3.90 0.00 2.05 2.07 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 112 R 8.16 3.98 0.00 2.07 2.01 0.00 3.50 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 1.68 1.91 0.00 113 I 7.81 3.75 2.05 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.60 0.82 0.00 0.00 114 A 8.75 4.51 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.58 3.99 0.00 2.17 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 2.52 2.48 0.00 116 V 8.39 3.74 2.39 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 1.37 0.00 0.00 1.07 0.00 0.00 117 A 8.77 4.32 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 0.00 0.00 0.00 0.00 0.00 118 K 8.46 3.91 0.00 1.53 2.06 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.44 7.81 119 L 7.84 4.01 0.00 1.87 1.58 0.92 1.03 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 0.00 120 F 8.44 4.09 0.00 3.45 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 0.00 121 A 8.54 4.31 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.46 4.29 0.00 2.72 2.88 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 0.00 123 A 8.35 4.15 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 0.00 124 G 7.65 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.40 4.74 0.00 2.10 1.79 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.57 4.30 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 0.96 0.00 0.00 1.01 0.00 0.00 127 C 9.47 5.01 0.00 3.18 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 0.00 128 I 8.63 4.96 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.42 0.80 0.00 0.00 129 T 8.72 4.76 3.97 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 1.22 0.00 0.00 130 S 7.92 4.60 0.00 3.57 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 0.00 131 F 7.81 4.78 0.00 2.77 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.70 3.97 1.93 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 1.20 1.99 1.02 0.00 0.00 133 S 8.01 4.01 0.00 4.38 4.22 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 0.00 134 P 0.00 4.18 0.00 1.58 2.17 0.00 3.66 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 1.23 1.64 0.00 135 Y 7.37 5.08 0.00 3.18 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 0.00 136 T 8.75 3.80 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 0.00 137 Q 8.14 3.91 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 138 D 8.04 4.35 0.00 3.00 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 0.00 139 R 7.88 3.60 0.00 1.83 1.87 0.00 3.33 0.00 0.00 3.49 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 140 N 8.18 4.12 0.00 2.82 2.75 0.00 0.00 6.65 6.48 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 0.00 141 N 8.02 4.08 0.00 2.89 2.88 0.00 0.00 7.12 7.03 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 0.00 142 A 7.52 3.69 0.46 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 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.36 2.00 0.00 1.19 1.63 0.00 2.95 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.00 144 Q 7.75 3.83 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.49 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 145 I 7.36 3.58 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.43 0.94 0.00 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0.00 0.68 0.00 0.00 0.89 0.00 0.00 *191 E 7.69 4.18 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.88 0.00 192 Y 8.24 4.29 0.00 3.05 2.88 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 0.00 193 E 7.73 4.60 0.00 1.78 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 2.23 2.25 0.00 194 K 8.54 3.74 0.00 1.58 1.55 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.64 7.81 195 P 0.00 4.04 0.00 1.77 2.07 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 0.00 196 E 8.76 4.06 0.00 1.93 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 2.26 2.24 0.00 197 A 7.39 4.70 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.60 0.00 2.59 2.17 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 199 E 8.84 4.28 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 200 L 8.11 4.68 0.00 1.69 1.46 0.90 0.70 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 0.00 201 V 8.47 4.80 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 1.09 0.00 0.00 202 L 8.84 4.46 0.00 1.49 1.49 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.48 4.60 0.00 1.61 1.70 0.00 1.52 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.33 7.81 204 T 8.30 4.24 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 1.12 0.00 0.00 205 D 8.15 4.48 0.00 2.77 2.78 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 0.00 0.00 0.00 206 S 7.93 4.64 0.00 3.93 3.95 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 0.00 207 C 7.79 4.79 0.00 3.03 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 D 8.24 4.65 0.00 2.91 2.78 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 0.00 0.00 0.00 209 V 8.22 3.53 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 1.10 0.00 0.00 0.89 0.00 0.00 210 N 8.06 4.30 0.00 2.83 2.83 0.00 0.00 7.09 8.08 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 0.00 211 D 8.67 4.34 0.00 2.94 2.67 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 0.00 0.00 0.00 0.00 212 C 8.14 4.08 0.00 3.09 2.90 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 0.00 213 V 7.87 3.41 2.09 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 0.81 0.00 0.00 0.93 0.00 0.00 214 Q 7.92 3.73 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 215 Q 7.72 3.88 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 216 V 7.57 3.40 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 0.87 0.00 0.00 0.89 0.00 0.00 217 V 7.80 3.44 1.76 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 0.98 0.00 0.00 0.37 0.00 0.00 218 E 8.34 4.01 0.00 2.22 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 2.27 0.00 219 L 7.68 3.80 0.00 1.59 1.61 0.85 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 220 L 7.70 3.75 0.00 1.80 1.66 0.89 0.52 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 0.00 221 Q 8.33 4.05 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 222 E 7.81 4.09 0.00 2.09 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 2.35 2.34 0.00 223 R 7.39 4.65 0.00 2.15 2.09 0.00 3.68 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 224 D 7.57 4.49 0.00 2.90 2.78 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 0.00 0.00 0.00 225 I 8.00 4.11 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 1.02 0.00 0.00 226 V 7.65 4.00 2.09 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 0.84 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.