NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.3161 8.4449 121.4775 55.6603 31.5211 175.5863 6 L 4.2142 8.2329 117.4507 54.0186 43.4512 175.2003 7 D 5.0219 8.3934 123.0870 54.1812 43.7370 174.4598 8 Y 5.2636 7.6109 116.9023 56.3438 40.9798 173.5476 9 R 4.5891 9.1660 120.7960 54.7539 33.6375 173.9537 10 I 4.8283 8.6808 127.2469 60.2249 38.1131 175.1760 11 L 4.4221 8.9659 128.4099 54.6246 43.4474 177.9277 12 G 4.2106 8.9762 106.8641 45.9440 0.0000 172.0546 13 E 4.2058 7.7786 117.2865 56.8342 30.4508 176.3851 14 S 4.5959 7.6698 116.2090 57.8942 64.0829 174.3911 *16 Q 4.7835 7.8251 117.0169 56.2075 29.8107 174.5987 17 T 4.8285 8.0711 114.2954 60.2009 71.3701 172.5269 18 V 4.5754 8.6428 127.8707 59.9956 33.7555 174.3181 19 E 4.4897 9.1978 128.1461 54.8254 30.6415 174.8991 20 I 4.2893 8.4686 129.9411 60.6271 38.5569 175.1046 21 E 4.6527 9.0551 129.9504 55.7119 30.1000 176.0029 22 L 4.8176 9.1422 129.7071 53.0163 43.3829 176.3297 23 D 4.8152 9.6179 124.9288 53.1318 42.3626 174.5231 24 P 4.2906 0.0000 0.0000 64.4336 31.2437 175.0965 25 G 4.2794 8.5445 114.0252 46.0793 0.0000 174.4163 26 E 4.3082 8.4751 119.7234 56.4192 30.7584 176.6142 27 T 5.2819 8.6688 119.3065 61.8119 72.5451 173.3501 28 V 4.8992 9.1113 122.9462 60.0977 35.0002 174.3540 29 I 5.0110 8.7315 117.2193 59.7918 40.1311 174.2422 30 A 4.9478 8.3584 123.5566 50.5843 22.4219 176.1464 31 E 4.1990 8.4212 116.4151 56.0631 30.9010 176.6342 32 A 4.0125 8.6433 125.0210 54.2241 18.7695 178.0201 33 G 3.8525 9.0979 110.0570 45.6205 0.0000 174.2016 34 A 4.3631 7.5872 124.7199 51.1206 17.3463 178.1077 *36 N 4.5643 7.9161 121.7024 52.2579 41.4554 174.4695 37 Y 4.4202 6.0661 114.0876 56.1580 39.9354 172.7625 *39 T 4.1044 8.4693 109.4815 62.6017 69.6299 173.4222 40 G 4.1234 8.6353 115.9543 46.0517 0.0000 172.3082 41 D 4.8264 6.7679 116.2424 53.8389 42.8290 176.7918 42 I 4.5732 7.4555 120.0603 61.2348 37.9166 175.7392 43 R 4.9381 9.2179 125.1025 54.2741 33.9324 174.4428 44 F 5.2780 8.2227 116.2132 55.5428 41.2548 174.1013 45 T 4.5491 8.3046 113.0968 60.6400 71.1855 172.6539 46 A 4.2772 8.6748 131.5491 52.9346 19.3530 177.7538 47 R 3.5283 8.4778 122.8923 57.5253 28.3909 175.0326 *76 T 4.3716 7.2476 114.3240 63.7275 70.9841 173.5999 77 H 5.3910 9.0272 123.3030 54.0970 31.6313 173.5510 78 F 5.3541 9.5219 121.7882 56.0777 41.8465 174.5664 79 T 5.0754 9.0602 119.8953 61.5985 72.5977 173.1317 80 N 4.8195 8.9055 124.4945 53.6428 38.8888 174.9104 81 E 4.2776 9.1042 125.6726 56.4387 29.9361 178.1165 82 G 4.6895 8.1834 108.9598 44.5359 0.0000 175.9938 83 Q 4.5467 8.3174 112.3324 53.3997 28.6305 173.8182 84 G 4.2264 7.4352 108.7803 45.6255 0.0000 171.2380 85 K 4.4631 8.6925 120.6706 56.7740 32.9506 176.1871 86 Q 4.7249 8.7134 124.0578 54.2305 32.5250 174.4185 87 H 5.4526 8.8902 116.8199 54.2298 32.4743 173.6929 88 V 4.2876 8.7161 121.5852 61.0852 33.2784 173.8052 89 A 4.7336 7.2710 129.5117 50.3051 21.1819 175.6320 90 F 5.0073 8.8281 118.8905 55.8252 43.3259 173.9475 91 A 4.8686 8.5484 121.8884 50.5179 22.2574 176.3304 92 A 4.0302 8.2490 123.3710 51.4146 19.0853 175.2211 93 P 4.8475 0.0000 0.0000 62.4912 31.8120 175.3436 94 Y 5.0244 7.0612 114.6396 55.6167 40.6590 172.3590 95 P 4.3890 0.0000 0.0000 61.6818 32.2051 176.8370 96 G 4.0424 7.6131 107.8598 45.8293 0.0000 170.9334 97 S 4.9288 7.4949 113.3067 56.5812 65.9718 173.2437 98 V 4.7041 8.8858 122.0393 61.4163 33.1866 174.9918 99 V 4.3828 9.0902 127.9930 60.9781 33.7833 174.0466 100 A 4.2051 8.5221 130.0591 51.0784 19.7028 176.7789 101 V 3.9699 7.8912 117.1438 59.1553 34.4397 175.1666 102 D 4.4985 8.5111 126.2578 54.0581 41.0925 176.3915 103 L 3.8990 8.6596 129.0946 58.1819 41.4082 179.4343 104 D 4.3662 7.7931 117.5903 56.4015 39.2960 177.9695 105 D 4.6406 8.1176 118.8479 55.8893 41.2256 176.8089 106 V 4.5041 7.7217 113.8752 61.1152 33.0125 176.1131 107 G 3.7637 8.8159 105.1510 46.5418 0.0000 174.7533 108 G 3.9702 8.3435 104.8975 45.6655 0.0000 173.4852 109 R 4.9278 7.4312 116.7021 54.6725 33.7203 174.3170 110 L 4.3726 8.2550 126.1929 54.1834 46.0800 173.8342 111 F 4.8694 9.2315 126.2744 56.6606 40.7124 174.6540 112 C 5.2064 9.0791 116.7742 56.6852 33.4342 173.0083 113 Q 4.3036 9.4703 123.4193 55.9252 29.0449 176.7269 114 K 3.7862 8.6158 127.8664 59.7586 32.4575 178.4165 115 D 4.5016 8.2145 116.9746 57.4489 40.9199 177.6363 116 S 4.5239 8.3842 113.8883 59.4134 63.3804 173.7564 117 F 4.4073 7.8152 122.9445 58.0722 38.4337 173.5419 118 L 4.3955 7.9973 130.0749 55.9122 43.8027 175.4908 119 C 4.5984 6.5854 110.1534 57.6306 32.3761 172.0016 120 A 5.1760 8.5771 120.3331 49.9373 22.7653 175.5479 121 A 4.3329 8.8351 123.2190 52.2100 18.9092 177.1872 122 Y 4.1038 8.0461 123.8853 58.9439 39.3547 176.7753 123 G 3.4089 8.5242 113.4923 46.6765 0.0000 173.2204 124 T 4.5885 7.3817 113.1947 61.3364 71.9738 175.1440 125 R 4.3101 8.7433 126.7499 54.6224 31.5678 174.6728 126 V 4.3056 7.8899 117.0662 60.0913 33.4990 179.7092 127 G 3.8112 8.9231 119.9925 46.0793 0.0000 171.7126 128 I 4.6549 7.7257 112.1616 59.8212 39.2402 175.5917 129 A 4.5409 8.2658 118.7563 52.8132 22.1625 176.7133 *142 E 4.0632 7.9500 114.6098 55.8571 29.4554 175.7478 143 G 3.8964 8.1234 112.4062 44.0520 0.0000 170.7290 144 F 4.1474 8.7851 120.9146 59.0020 39.7617 174.1564 145 I 4.3125 7.6103 127.2354 59.1766 40.6075 173.7992 146 L 4.7009 8.1615 128.1052 53.3557 44.4178 174.9134 147 Q 5.0039 9.2049 124.8259 53.9636 32.0226 174.1760 148 K 4.4807 8.3232 122.3489 54.5274 35.0546 174.8568 149 L 5.6515 8.4496 126.1099 51.8290 45.5073 175.3336 150 E 4.9042 8.5139 119.9349 54.4355 32.9234 175.9187 151 G 4.0700 7.0424 107.6499 46.0278 0.0000 172.3220 152 D 4.8218 8.3479 119.0636 52.8394 41.0632 175.7849 153 G 4.2061 7.5087 108.2437 45.1608 0.0000 172.1562 154 L 4.6623 8.3585 119.4914 53.8598 43.3336 176.5531 155 V 4.6042 7.9274 121.8836 59.6997 35.1246 174.4517 156 F 4.9181 8.5217 120.1794 55.8050 42.1900 174.4434 157 V 4.7614 8.4214 116.6933 59.6463 35.3197 173.9947 158 H 5.2086 9.4555 124.4519 54.4495 31.8525 173.7019 159 A 4.6648 8.8308 128.1483 49.7972 20.8996 176.0487 160 G 4.3700 8.4627 109.7138 46.5353 0.0000 172.7303 161 G 3.9511 9.0629 112.9415 46.9963 0.0000 176.8242 162 T 4.2500 9.1476 123.0903 62.6691 69.4308 172.2649 163 L 4.7018 8.5638 128.6627 54.8820 43.2007 175.7937 164 I 4.4955 9.1607 127.2973 59.6719 40.0387 174.2088 165 R 4.7740 8.5939 127.8636 54.6648 31.6989 175.5729 166 R 4.6171 8.3228 124.2093 54.5552 34.7092 174.0206 167 Q 4.7102 8.6291 122.2389 54.9692 30.0811 174.9352 168 L 4.6266 8.9792 124.4813 53.1628 44.2597 175.6718 169 N 5.2863 7.7948 120.1272 50.3128 38.3333 173.5563 170 G 4.2697 9.3833 114.0496 45.3673 0.0000 171.8833 171 E 4.0244 7.7524 116.4646 57.2406 30.4823 176.3864 172 T 4.8290 8.3655 117.5131 61.9218 70.7949 173.6051 173 L 4.7696 9.0675 127.8100 53.2693 45.1428 175.1364 174 R 5.0959 8.5745 124.2497 54.6243 33.0543 175.7599 175 V 4.3518 8.3105 121.7638 61.1480 35.5112 173.2986 176 D 4.4906 8.9755 127.4384 55.1836 41.5969 176.8809 177 T 3.6706 8.0337 120.2864 64.4313 67.4861 176.2839 178 G 3.7627 7.9331 108.5319 48.4800 0.0000 173.7520 179 C 4.3702 8.1274 116.3599 60.2870 28.5285 172.8990 180 L 4.4889 7.7871 123.4800 54.8572 41.8685 175.4288 181 V 4.3432 8.5941 126.7643 63.9813 32.2644 174.9971 182 A 5.3688 7.9302 119.7733 51.2484 23.2518 173.7145 183 F 5.6742 8.9191 113.4912 56.4917 41.7895 174.4642 184 T 4.5566 8.4671 110.5176 61.1433 71.1497 173.9104 185 D 4.7924 8.8412 120.5063 55.1258 42.1692 176.7901 186 G 4.0741 9.1596 108.7661 46.1180 0.0000 172.5910 187 I 4.6845 7.4159 119.6531 59.3504 39.8544 174.8601 188 D 4.7319 9.4859 129.2070 53.8638 41.6792 175.4322 189 Y 5.1561 8.2611 121.6856 55.4397 41.1099 175.2784 190 D 4.3928 8.7269 121.1151 53.3220 44.3263 174.2329 191 V 4.3547 8.4476 126.7964 62.9801 32.8813 174.9709 192 Q 4.6294 9.1864 125.0692 55.1374 33.5561 173.0050 193 L 5.0602 8.2113 119.2648 53.1175 45.2925 176.7162 194 A 4.6907 8.5482 133.0377 50.4698 16.7838 179.2752 195 G 3.7774 8.8844 108.5130 48.9311 0.0000 173.5733 *207 L 4.2688 7.5760 118.5911 54.8371 43.1335 175.8776 208 L 4.7628 7.7121 121.0973 54.3040 43.1325 175.4589 209 L 5.0022 8.5541 123.7967 53.1322 44.9335 175.5135 210 T 4.9721 8.9352 119.5358 62.1486 71.3913 173.1858 211 T 4.6672 9.0028 123.8632 62.1321 70.5712 173.8797 212 L 5.4298 8.9545 126.3467 52.9714 45.6418 175.7410 213 K 4.9925 7.7238 119.4394 56.5465 36.3594 176.3069 214 G 4.1502 7.8267 109.3584 45.6088 0.0000 171.3583 215 S 5.8586 9.2729 115.4154 55.7113 65.3152 174.8447 216 G 4.0702 7.6026 110.0348 44.6145 0.0000 170.8061 217 T 4.9053 8.0532 116.2941 61.7302 71.0903 174.3083 218 V 5.0261 8.2459 119.1430 59.3270 35.2709 174.6021 219 W 5.1275 9.9090 124.2657 55.0477 31.7890 175.0066 220 L 5.5478 9.5547 124.9547 52.8959 45.1261 175.2813 221 Q 5.1872 8.7953 118.0005 54.7028 30.7953 175.8045 222 S 4.2710 8.9780 116.8908 60.3342 64.3960 174.0540 223 L 4.8697 8.0621 123.1280 51.8384 42.0721 173.8642 224 P 4.8076 0.0000 0.0000 61.7167 32.6047 177.9293 225 F 3.5641 8.5829 122.3282 61.6026 38.9027 177.7850 226 S 3.9732 7.9788 113.1823 61.3555 62.8636 176.3707 227 R 3.8258 7.7905 121.8788 58.8094 29.8633 178.0458 228 L 3.8038 7.5601 119.4388 58.1155 42.1656 178.7986 229 A 3.8368 7.6339 121.0295 54.9902 18.1806 179.8773 230 G 3.5282 7.9374 104.1979 48.0890 0.0000 176.2548 231 R 3.9723 8.0410 120.7007 58.7332 29.7914 179.1507 232 I 3.6980 7.7173 119.1347 64.6039 37.4398 177.3266 233 Y 4.2433 8.1759 120.1143 60.8651 38.7218 177.6138 234 D 4.4142 8.5136 119.5420 57.7024 40.9318 179.2972 235 A 4.2290 7.9223 118.6180 54.1180 18.5360 178.4445 236 T 4.2833 8.0851 108.1998 61.5151 69.0665 176.1144 237 F 3.8452 7.8975 125.1498 61.7360 39.3220 177.0034 238 R 3.9915 8.1126 117.2101 59.5704 29.8287 178.0433 239 A 3.9722 7.9105 118.8238 55.0194 18.4733 179.0463 240 R 4.0080 7.4036 112.3014 58.0966 30.2052 178.0749 241 E 3.7249 7.9161 120.7997 58.4829 29.3370 177.6239 242 E 3.9004 7.7884 118.7650 58.7570 29.5775 178.5332 243 V 3.7318 7.3119 111.0850 63.7698 32.1860 176.1075 244 R 4.1517 7.6793 122.7533 56.3370 29.9566 175.7469 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 5 E 8.44 4.32 0.00 1.97 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 0.00 2.25 2.39 0.00 6 L 8.23 4.21 0.00 1.95 1.74 1.02 0.79 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 7 D 8.39 5.02 0.00 2.75 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 8 Y 7.61 5.26 0.00 2.85 2.93 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 9 R 9.17 4.59 0.00 1.83 1.79 0.00 3.07 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 10 I 8.68 4.83 2.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.03 0.96 0.00 0.00 11 L 8.97 4.42 0.00 1.61 1.59 0.98 1.04 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 12 G 8.98 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 0.00 0.00 0.00 0.00 13 E 7.78 4.21 0.00 2.10 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 2.26 2.28 0.00 14 S 7.67 4.60 0.00 3.90 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 *16 Q 7.83 4.78 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.60 2.33 0.00 17 T 8.07 4.83 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 1.21 0.00 0.00 18 V 8.64 4.58 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 0.58 0.00 0.00 0.47 0.00 0.00 19 E 9.20 4.49 0.00 2.04 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 2.32 2.31 0.00 20 I 8.47 4.29 2.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.61 0.93 0.00 0.00 21 E 9.06 4.65 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 22 L 9.14 4.82 0.00 1.61 1.62 1.06 0.74 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 23 D 9.62 4.82 0.00 2.94 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.29 0.00 1.94 2.26 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 25 G 8.54 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 26 E 8.48 4.31 0.00 2.10 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 2.39 2.34 0.00 27 T 8.67 5.28 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 1.05 0.00 0.00 28 V 9.11 4.90 2.13 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 1.12 0.00 0.00 0.84 0.00 0.00 29 I 8.73 5.01 1.86 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.21 0.84 0.00 0.00 30 A 8.36 4.95 0.71 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 31 E 8.42 4.20 0.00 2.08 2.19 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 2.48 2.34 0.00 32 A 8.64 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.10 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.59 4.36 1.43 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 0.00 0.00 0.00 *36 N 7.92 4.56 0.00 2.35 2.93 0.00 0.00 7.02 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 37 Y 6.07 4.42 0.00 3.09 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 *39 T 8.47 4.10 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 1.39 0.00 0.00 40 G 8.64 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 6.77 4.83 0.00 2.65 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 42 I 7.46 4.57 1.99 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 1.47 0.94 1.18 0.00 0.00 43 R 9.22 4.94 0.00 1.64 1.65 0.00 3.15 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 44 F 8.22 5.28 0.00 2.12 2.55 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 45 T 8.30 4.55 4.08 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 1.08 0.00 0.00 46 A 8.67 4.28 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 47 R 8.48 3.53 0.00 1.87 1.88 0.00 3.33 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 1.53 1.69 0.00 *76 T 7.25 4.37 4.49 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 1.09 0.00 0.00 77 H 9.03 5.39 0.00 2.99 3.09 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.52 5.35 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.06 5.08 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 1.28 0.00 0.00 80 N 8.91 4.82 0.00 2.87 2.89 0.00 0.00 7.09 7.74 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 81 E 9.10 4.28 0.00 2.00 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 2.29 2.29 0.00 82 G 8.18 4.69 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 83 Q 8.32 4.55 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 84 G 7.44 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 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0.00 93 P 0.00 4.85 0.00 2.28 2.15 0.00 3.76 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 2.01 1.90 0.00 94 Y 7.06 5.02 0.00 3.24 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 95 P 0.00 4.39 0.00 2.31 2.29 0.00 4.11 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 2.20 2.05 0.00 96 G 7.61 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 97 S 7.49 4.93 0.00 4.19 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 0.00 98 V 8.89 4.70 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 0.77 0.00 0.00 0.92 0.00 0.00 99 V 9.09 4.38 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 0.84 0.00 0.00 0.95 0.00 0.00 100 A 8.52 4.21 0.89 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 0.00 0.00 101 V 7.89 3.97 1.81 0.00 0.00 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0.00 0.00 0.00 1.24 0.00 0.00 163 L 8.56 4.70 0.00 1.70 1.63 1.13 1.13 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 0.00 164 I 9.16 4.50 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 0.91 0.00 0.00 165 R 8.59 4.77 0.00 1.58 1.72 0.00 2.56 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00 166 R 8.32 4.62 0.00 1.68 1.66 0.00 3.13 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 1.48 1.53 0.00 167 Q 8.63 4.71 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 168 L 8.98 4.63 0.00 1.72 1.73 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 169 N 7.79 5.29 0.00 2.53 2.69 0.00 0.00 7.32 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 0.00 170 G 9.38 4.27 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 0.00 171 E 7.75 4.02 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 172 T 8.37 4.83 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 1.24 0.00 0.00 173 L 9.07 4.77 0.00 1.63 1.42 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.57 5.10 0.00 1.68 1.77 0.00 3.22 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 175 V 8.31 4.35 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 0.74 0.00 0.00 0.90 0.00 0.00 176 D 8.98 4.49 0.00 2.82 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 0.00 177 T 8.03 3.67 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 1.04 0.00 0.00 178 G 7.93 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 C 8.13 4.37 0.00 3.21 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 0.00 180 L 7.79 4.49 0.00 1.63 1.82 1.05 0.87 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 0.00 181 V 8.59 4.34 2.37 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 1.00 0.00 0.00 1.11 0.00 0.00 182 A 7.93 5.37 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 8.92 5.67 0.00 3.33 3.24 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 0.00 184 T 8.47 4.56 4.40 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 1.42 0.00 0.00 185 D 8.84 4.79 0.00 2.83 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 0.00 186 G 9.16 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 0.00 187 I 7.42 4.68 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.79 0.00 0.00 188 D 9.49 4.73 0.00 2.64 2.53 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 0.00 189 Y 8.26 5.16 0.00 2.69 2.46 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 0.00 190 D 8.73 4.39 0.00 2.66 2.48 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 0.00 191 V 8.45 4.35 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 0.80 0.00 0.00 1.00 0.00 0.00 192 Q 9.19 4.63 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.45 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 193 L 8.21 5.06 0.00 1.57 1.46 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 194 A 8.55 4.69 1.06 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 0.00 195 G 8.88 3.78 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 0.00 0.00 0.00 *207 L 7.58 4.27 0.00 1.75 1.95 0.91 0.31 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 0.00 208 L 7.71 4.76 0.00 1.57 1.56 0.92 0.64 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 0.00 209 L 8.55 5.00 0.00 1.60 1.49 0.92 0.48 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 0.00 210 T 8.94 4.97 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 1.20 0.00 0.00 211 T 9.00 4.67 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 1.18 0.00 0.00 212 L 8.95 5.43 0.00 1.42 1.40 0.76 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 213 K 7.72 4.99 0.00 1.77 1.83 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.34 7.81 214 G 7.83 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 0.00 0.00 0.00 0.00 215 S 9.27 5.86 0.00 3.89 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 7.60 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 0.00 217 T 8.05 4.91 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 0.35 0.00 0.00 218 V 8.25 5.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.89 0.00 0.00 219 W 9.91 5.13 0.00 3.26 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 0.00 220 L 9.55 5.55 0.00 1.58 1.67 0.93 0.38 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 0.00 221 Q 8.80 5.19 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.03 0.00 0.00 0.00 0.00 0.00 2.56 2.39 0.00 222 S 8.98 4.27 0.00 3.95 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 0.00 223 L 8.06 4.87 0.00 1.83 1.73 0.94 0.95 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 0.00 224 P 0.00 4.81 0.00 2.29 2.62 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 225 F 8.58 3.56 0.00 1.51 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 0.00 226 S 7.98 3.97 0.00 4.09 4.18 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 0.00 227 R 7.79 3.83 0.00 1.88 2.08 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 228 L 7.56 3.80 0.00 1.62 1.55 0.85 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 229 A 7.63 3.84 0.78 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 0.00 0.00 230 G 7.94 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 0.00 231 R 8.04 3.97 0.00 1.95 1.98 0.00 3.30 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 232 I 7.72 3.70 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.71 0.95 0.00 0.00 233 Y 8.18 4.24 0.00 3.12 3.16 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 0.00 234 D 8.51 4.41 0.00 2.93 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 A 7.92 4.23 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 0.00 236 T 8.09 4.28 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 1.31 0.00 0.00 237 F 7.90 3.85 0.00 3.25 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 0.00 238 R 8.11 3.99 0.00 2.03 1.94 0.00 3.27 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 239 A 7.91 3.97 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 0.00 240 R 7.40 4.01 0.00 1.81 1.93 0.00 2.80 0.00 0.00 2.77 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.27 0.00 241 E 7.92 3.72 0.00 1.16 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.38 0.00 242 E 7.79 3.90 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 243 V 7.31 3.73 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 0.65 0.00 0.00 0.93 0.00 0.00 244 R 7.68 4.15 0.00 1.73 1.75 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.