NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2998 8.2649 123.5843 50.4058 21.1915 177.1919 2 T 4.4452 7.3316 109.9519 60.1494 72.7345 173.9006 3 L 4.0068 8.5786 123.1026 58.1386 41.8062 179.6258 4 K 3.9776 8.0300 118.7622 59.5670 32.2493 178.2254 5 D 4.4437 8.1090 118.5510 57.7135 40.8669 178.7554 6 I 3.7959 7.9123 119.9995 64.8338 37.2006 178.6908 7 T 3.7953 8.2936 116.6531 66.3701 68.1915 176.7584 8 R 3.8314 7.7928 120.4617 59.6161 30.3265 178.3952 9 R 3.9270 7.9621 117.8268 59.5588 30.0298 178.9460 10 L 3.9352 8.0648 118.3193 57.7666 41.4506 179.5078 11 K 3.8883 7.7978 118.4612 59.5930 31.9557 179.5663 12 S 4.1449 8.0531 114.3525 61.5096 63.0826 176.3179 13 I 3.9662 7.6497 122.0774 62.8751 36.6855 178.3331 14 K 4.0545 7.8463 119.4066 59.0287 32.2833 178.7654 15 N 4.4612 7.7845 116.7188 56.3886 38.5335 177.2648 16 I 3.6714 8.0315 121.5371 64.6807 36.7752 178.0467 17 Q 3.9767 7.8507 119.8014 59.3552 28.8485 178.8955 18 K 4.0313 7.9551 118.8331 59.2296 32.1220 179.5084 19 I 3.7922 7.8754 121.1457 64.1777 36.9493 178.3646 20 T 3.9101 7.8661 110.5752 64.8280 68.2306 176.1494 21 K 4.0794 7.8475 121.9878 58.9948 31.9265 179.0142 22 S 4.1800 7.8960 114.3390 61.5807 63.2031 176.3929 23 M 4.0448 8.7082 122.7658 57.7304 31.5581 178.3910 24 K 3.8229 8.0651 119.8853 60.1123 32.4519 178.7485 25 M 4.0707 7.8119 118.3423 58.1231 31.8185 179.0709 26 V 3.5561 8.1669 118.7544 65.8867 31.7032 177.8645 27 A 4.3267 8.8665 121.9731 54.5925 18.2381 179.2730 28 A 4.0385 8.3492 119.2759 55.4992 18.6004 179.7685 29 A 3.9819 7.9645 118.7655 55.2664 18.3736 179.9344 30 K 4.1026 8.2529 116.7225 58.9623 32.1409 179.1787 31 Y 3.9789 8.2908 120.4545 60.6865 38.8276 177.5519 32 A 3.5457 7.9488 121.6494 55.1168 18.2116 179.8607 33 R 3.8248 7.3493 114.3848 58.9800 29.8448 178.6428 34 A 4.0513 7.5102 120.3196 54.3167 18.4524 179.3004 35 E 3.5424 7.9421 118.5739 59.0704 29.4082 178.2235 36 R 4.4284 7.3786 114.9778 56.1744 30.1925 176.4387 37 E 4.5408 7.3626 117.0938 55.5089 30.8957 176.4379 38 L 4.0968 7.5576 119.9499 58.0835 42.6647 178.9264 39 K 3.9492 8.1288 117.9940 59.1309 31.9208 177.3979 40 P 4.2728 0.0000 0.0000 64.7726 31.5112 177.5513 41 A 4.6649 7.4176 119.5592 52.5155 19.2429 178.4026 42 R 4.7092 7.9870 117.2671 58.7073 30.6326 179.2016 43 V 3.6903 7.8619 117.2694 64.8081 31.5036 176.8800 44 Y 4.3312 7.6790 117.4809 58.6288 38.7275 176.9245 45 G 3.4717 8.0513 106.1621 48.0539 0.0000 175.5083 46 V 3.5792 7.7068 119.3930 64.4460 31.8402 176.5633 47 G 4.0055 7.7385 106.9972 45.2778 0.0000 173.3928 *72 S 4.3985 8.5285 115.2802 57.2192 63.7389 175.9433 73 S 4.5417 8.5855 117.2284 57.9756 65.4391 175.3443 74 D 4.2655 8.4631 119.4172 56.9563 40.8338 177.3813 75 R 4.2497 7.3822 119.1013 55.2796 30.8713 176.6961 76 G 3.9569 8.4238 117.6704 46.0215 0.0000 173.4252 77 L 3.8057 8.6874 117.7946 56.2826 39.3605 174.0206 78 C 4.8903 7.2427 106.8365 58.4050 30.8593 174.8547 79 G 3.7806 8.0073 112.1337 48.3003 0.0000 174.8524 80 A 4.3088 8.6193 125.9401 52.4751 18.0221 178.9068 81 I 3.4550 7.1435 117.8300 66.1020 36.9256 177.8255 82 H 4.1144 7.8426 116.4354 58.6258 28.8290 178.0885 83 S 4.1978 8.0402 116.1172 61.3445 63.2693 176.2718 84 S 4.1129 8.5568 117.1679 61.1002 61.6313 176.2897 85 V 3.9269 7.5411 114.1242 63.4518 31.3191 178.3102 86 A 4.0874 7.6875 119.9765 54.5793 18.1959 179.2818 87 K 4.0417 7.9772 118.0316 59.6763 32.4379 178.5065 88 Q 4.1233 7.4640 116.6794 57.4284 29.2203 175.4037 89 M 4.2508 7.0277 118.4723 54.6914 33.6156 174.7825 *106 I 3.9358 7.9486 120.2930 61.0045 38.2654 175.6457 107 G 4.1476 8.5452 113.1115 43.5538 0.0000 172.9820 108 V 4.1213 8.2877 121.3727 61.6807 32.6058 176.2369 109 G 3.9778 8.7480 112.6296 45.4645 0.0000 173.5457 110 D 4.3196 8.9369 121.7920 56.8937 41.1463 178.2027 111 K 4.0304 8.2373 119.2349 58.3902 32.1011 178.5846 112 I 3.9280 7.5635 120.6186 64.5852 36.8941 178.2536 113 R 3.9531 7.5158 116.0789 59.3590 29.3948 178.7126 114 S 4.2905 8.0144 112.5758 59.8662 63.3957 175.1522 115 I 4.0784 7.0969 122.2350 61.3969 38.2199 175.3065 *129 K 3.9323 7.2839 118.4194 56.4392 33.1245 173.6845 130 E 3.8087 9.1545 119.7223 57.5588 28.4897 174.2836 131 V 4.4438 8.4082 116.5586 60.7606 34.6686 175.1269 132 G 4.1259 9.1752 111.8323 46.6303 0.0000 175.2169 133 R 3.9766 7.8301 117.3256 58.5789 30.2696 176.6366 134 R 4.4380 7.5386 115.4139 53.6376 31.5708 174.5412 135 P 4.1433 0.0000 0.0000 61.9870 31.5299 174.4766 136 P 4.2108 0.0000 0.0000 63.4030 31.7062 176.3156 137 T 4.6571 8.2486 119.3037 61.5315 70.6648 175.3427 138 F 3.7914 9.1898 124.6828 61.5142 39.2190 176.3938 139 G 4.0894 8.4563 107.5236 48.7401 0.0000 173.9160 140 D 4.6584 7.5591 125.9332 54.0798 40.4623 176.3717 *161 I 4.0477 8.1924 126.0580 62.2336 38.1046 174.6696 162 F 4.9571 8.0589 118.4285 55.6160 40.8202 172.2673 163 N 5.0033 8.6974 118.6395 51.9454 39.9042 174.5591 164 R 4.6918 9.0049 125.1739 54.4066 31.8692 175.2130 165 F 4.4423 8.9026 129.6651 58.8559 39.6443 173.3418 166 R 4.1985 7.8837 121.5360 56.4783 33.1637 176.8306 167 S 4.5340 6.5957 109.2728 56.0787 66.5486 174.8680 168 V 3.9548 8.4795 111.9179 63.8224 31.1321 177.5959 169 I 4.1622 7.2606 117.5146 61.6690 37.9995 175.3364 170 S 4.8492 7.4076 115.2005 56.6909 65.9455 172.1531 171 Y 5.0436 7.6942 119.3107 56.0302 40.2987 173.1178 172 K 4.5094 8.9211 123.9711 54.8396 35.0525 175.0696 173 T 4.6487 8.1832 123.4478 62.8496 68.9075 174.5114 *206 E 4.4052 8.8324 124.6036 56.5945 31.9256 177.5576 207 Y 4.3655 8.0070 118.9927 60.3892 38.5126 177.1645 208 S 4.2183 8.1180 113.9453 60.0955 63.1735 175.9091 209 L 3.9672 7.6539 124.1803 58.0643 42.1764 178.0132 210 A 3.8655 7.7033 120.2072 55.0828 18.1519 179.1293 211 N 4.2354 8.0071 114.9133 56.9184 38.5796 177.7205 212 I 3.7720 7.4007 119.9498 64.0992 37.1055 178.7200 213 I 3.6572 7.8486 120.9042 64.6113 36.9000 177.8474 214 Y 3.9402 8.2041 120.7500 60.5613 38.3926 177.4555 215 Y 3.9808 8.2294 120.8617 60.6017 38.9669 178.1636 216 S 3.1557 7.4513 115.2829 61.0406 62.5573 175.9429 217 L 3.8224 7.5914 124.2834 57.7861 41.3366 179.0704 218 K 3.9013 7.4417 117.5092 58.7433 31.8453 179.1326 219 E 3.6634 7.5155 118.9213 58.8438 28.9497 179.1170 220 S 4.1117 8.3105 114.2632 61.4909 62.5354 176.1153 221 T 4.0142 7.5340 111.1534 64.3074 68.6474 177.0957 222 T 3.7547 7.2954 118.6852 66.7792 68.3651 176.7420 223 S 4.3416 7.8585 117.1662 61.4903 62.7838 176.0544 224 E 3.7653 8.0132 122.1819 59.5503 29.3181 179.0229 225 Q 4.2272 8.3356 117.9226 58.5126 28.8840 178.9377 226 S 3.6312 7.9192 114.1850 61.1995 62.4391 176.0547 227 A 3.9876 8.1519 123.7010 55.0855 18.0530 179.4948 228 R 3.8805 8.4760 117.5767 59.6878 30.1568 178.0501 229 M 3.9368 7.9540 117.9499 59.1869 32.0964 178.3693 230 T 3.8028 7.7358 115.1505 66.5148 68.6597 176.4083 231 A 3.9847 8.6551 123.1776 55.7392 18.3521 179.7117 232 M 4.1029 8.3414 117.3269 58.2218 31.9603 178.4394 233 D 4.3117 8.1930 118.3773 57.5849 41.3635 178.2728 234 N 4.3371 8.3812 116.7178 56.0809 38.4852 177.1923 235 A 3.9721 8.5714 122.5539 55.2762 18.4369 179.5801 236 S 4.0971 8.2180 113.0873 61.0120 62.4306 176.5962 237 K 3.9797 8.1112 121.1025 59.3596 31.6957 179.0413 238 N 4.2736 8.5718 116.9862 56.3665 38.4400 177.1397 239 A 3.9650 8.1287 122.0902 55.2378 18.5378 179.6179 240 S 3.9994 8.2478 111.5451 61.6864 62.3867 176.1296 241 E 3.9834 8.3449 121.3710 59.7985 29.1996 179.1507 242 M 4.1014 8.2927 118.2281 58.2347 32.1814 178.4063 243 I 3.6483 7.9435 120.5394 64.3879 37.2663 177.8280 244 D 4.3559 7.8526 119.1091 57.4812 40.7252 178.9449 245 K 3.9478 7.8102 119.7622 59.6318 32.1856 178.7980 246 L 4.1290 8.0007 119.1464 57.8605 41.3829 179.5633 247 T 4.0070 8.0995 116.1053 66.4007 68.3430 176.8181 248 L 4.0239 8.3782 121.3618 58.0699 41.6935 179.4647 249 T 3.8641 7.9177 115.6556 66.6832 67.7906 175.9101 250 F 4.0501 8.6865 122.8036 61.9444 39.2677 177.2110 251 N 4.8260 8.2226 115.5505 56.1438 38.3117 177.7962 252 R 3.9318 8.1762 119.7653 59.3447 30.0040 179.2861 253 T 3.7897 8.3900 115.9377 66.4520 68.3816 176.6207 254 R 3.5870 8.7533 120.9685 59.6459 29.9456 178.5195 255 Q 3.9350 8.3387 117.6269 58.8194 28.6433 178.5235 256 A 3.9424 7.7142 121.3415 55.1092 18.3975 179.6493 257 V 3.4889 7.9218 116.9693 66.3130 31.4795 178.1673 258 I 3.6348 7.3921 119.3027 64.7170 36.9420 178.2794 259 T 3.8358 7.9340 116.3457 66.7291 68.4331 176.3096 260 K 3.8333 8.6074 121.7447 59.7057 31.7079 178.3948 261 E 3.9603 8.6259 119.7146 58.8245 29.4257 178.4654 262 L 4.0524 7.6114 120.1850 57.8764 42.3203 178.7752 263 I 3.7361 7.9738 119.8925 64.2796 36.8326 178.2365 264 E 3.9820 8.1437 119.4753 59.4588 29.2520 179.5045 265 I 3.7429 7.4889 119.0988 64.2545 37.1355 178.6041 266 I 3.6510 7.8955 120.6156 64.6590 37.1564 178.4274 267 S 4.2729 8.2239 116.0883 61.8845 62.4214 177.3078 268 G 3.5889 7.6680 106.9303 47.6866 0.0000 175.3387 269 A 4.1740 8.1173 122.9599 54.6831 18.3089 179.6168 270 A 4.0483 8.3458 118.7923 55.0389 18.5176 179.4529 271 A 4.0853 7.7391 117.9328 54.6031 18.4654 177.5186 272 L 4.1119 7.3635 120.3861 55.1731 41.6578 176.8869 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 A 8.26 4.30 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.33 4.45 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 1.21 0.00 0.00 3 L 8.58 4.01 0.00 1.68 1.78 0.80 0.20 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 4 K 8.03 3.98 0.00 1.89 1.83 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.62 7.81 5 D 8.11 4.44 0.00 2.97 2.73 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 6 I 7.91 3.80 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 1.09 0.00 0.00 7 T 8.29 3.80 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 1.16 0.00 0.00 8 R 7.79 3.83 0.00 1.87 1.91 0.00 3.13 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 9 R 7.96 3.93 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 10 L 8.06 3.94 0.00 1.91 1.62 0.77 0.53 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 11 K 7.80 3.89 0.00 1.93 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.42 7.81 12 S 8.05 4.14 0.00 4.06 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 13 I 7.65 3.97 1.95 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.42 0.90 0.00 0.00 14 K 7.85 4.05 0.00 1.93 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.60 7.81 15 N 7.78 4.46 0.00 2.90 2.85 0.00 0.00 6.96 6.78 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 16 I 8.03 3.67 1.86 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 1.40 0.66 0.91 0.00 0.00 17 Q 7.85 3.98 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 18 K 7.96 4.03 0.00 2.01 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 19 I 7.88 3.79 1.87 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 1.32 1.67 0.91 0.00 0.00 20 T 7.87 3.91 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 1.23 0.00 0.00 21 K 7.85 4.08 0.00 2.02 2.02 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.44 7.81 22 S 7.90 4.18 0.00 4.12 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 M 8.71 4.04 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 24 K 8.07 3.82 0.00 1.96 1.95 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.72 7.81 25 M 7.81 4.07 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 26 V 8.17 3.56 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 1.01 0.00 0.00 0.97 0.00 0.00 27 A 8.87 4.33 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.35 4.04 1.45 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 29 A 7.96 3.98 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 30 K 8.25 4.10 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.55 7.81 31 Y 8.29 3.98 0.00 3.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.95 3.55 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 33 R 7.35 3.82 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 34 A 7.51 4.05 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.94 3.54 0.00 1.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 36 R 7.38 4.43 0.00 1.83 1.86 0.00 3.09 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 37 E 7.36 4.54 0.00 2.03 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 2.15 2.16 0.00 38 L 7.56 4.10 0.00 1.77 1.68 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.13 3.95 0.00 1.86 1.86 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.45 7.81 40 P 0.00 4.27 0.00 2.20 2.12 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 41 A 7.42 4.66 1.37 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 0.00 0.00 0.00 42 R 7.99 4.71 0.00 2.22 2.14 0.00 3.24 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.84 0.00 43 V 7.86 3.69 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 0.92 0.00 0.00 0.98 0.00 0.00 44 Y 7.68 4.33 0.00 3.16 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 45 G 8.05 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.71 3.58 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 0.76 0.00 0.00 0.86 0.00 0.00 47 G 7.74 4.01 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 0.00 0.00 0.00 *72 S 8.53 4.40 0.00 4.05 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 73 S 8.59 4.54 0.00 4.16 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 74 D 8.46 4.27 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.38 4.25 0.00 1.88 1.84 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 76 G 8.42 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 0.00 0.00 0.00 77 L 8.69 3.81 0.00 1.81 1.76 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 78 C 7.24 4.89 0.00 3.02 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 79 G 8.01 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 80 A 8.62 4.31 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.14 3.45 1.71 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 0.59 0.00 0.00 82 H 7.84 4.11 0.00 3.18 3.33 0.00 5.62 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 83 S 8.04 4.20 0.00 4.07 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 84 S 8.56 4.11 0.00 4.24 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 85 V 7.54 3.93 2.11 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 0.88 0.00 0.00 1.02 0.00 0.00 86 A 7.69 4.09 1.37 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 0.00 0.00 0.00 87 K 7.98 4.04 0.00 1.94 2.01 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 88 Q 7.46 4.12 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.64 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 89 M 7.03 4.25 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 *106 I 7.95 3.94 1.88 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 1.35 0.67 0.92 0.00 0.00 107 G 8.55 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 0.00 108 V 8.29 4.12 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 0.78 0.00 0.00 0.92 0.00 0.00 109 G 8.75 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 0.00 0.00 0.00 110 D 8.94 4.32 0.00 2.97 2.65 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 0.00 0.00 0.00 0.00 111 K 8.24 4.03 0.00 1.75 1.60 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.89 1.37 7.81 112 I 7.56 3.93 2.09 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 1.61 0.87 0.92 0.00 0.00 113 R 7.52 3.95 0.00 1.91 2.06 0.00 3.06 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 1.92 1.63 0.00 114 S 8.01 4.29 0.00 4.03 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 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0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 165 F 8.90 4.44 0.00 3.10 3.14 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 0.00 0.00 0.00 166 R 7.88 4.20 0.00 1.59 1.61 0.00 3.06 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 167 S 6.60 4.53 0.00 3.88 3.82 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 0.00 0.00 0.00 168 V 8.48 3.95 1.98 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 0.98 0.00 0.00 0.94 0.00 0.00 169 I 7.26 4.16 1.83 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 1.16 0.49 0.89 0.00 0.00 170 S 7.41 4.85 0.00 3.77 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.69 5.04 0.00 3.06 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 0.00 172 K 8.92 4.51 0.00 1.73 1.60 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.29 7.81 173 T 8.18 4.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 *206 E 8.83 4.41 0.00 2.12 2.11 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 2.33 2.34 0.00 207 Y 8.01 4.37 0.00 3.04 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 0.00 208 S 8.12 4.22 0.00 4.07 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 0.00 209 L 7.65 3.97 0.00 1.79 1.91 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 210 A 7.70 3.87 1.20 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 0.00 0.00 0.00 211 N 8.01 4.24 0.00 2.79 2.82 0.00 0.00 6.99 6.82 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 0.00 212 I 7.40 3.77 1.85 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 1.65 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4.01 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 1.21 0.00 0.00 222 T 7.30 3.75 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 0.48 0.00 0.00 223 S 7.86 4.34 0.00 3.86 3.62 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 0.00 224 E 8.01 3.77 0.00 2.04 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 2.26 2.28 0.00 225 Q 8.34 4.23 0.00 2.21 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 226 S 7.92 3.63 0.00 4.14 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 0.00 227 A 8.15 3.99 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 0.00 0.00 0.00 0.00 0.00 228 R 8.48 3.88 0.00 1.81 2.00 0.00 3.12 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 229 M 7.95 3.94 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 230 T 7.74 3.80 4.35 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 1.21 0.00 0.00 231 A 8.66 3.98 1.34 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 0.00 0.00 0.00 232 M 8.34 4.10 0.00 2.35 2.29 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 2.69 2.58 0.00 233 D 8.19 4.31 0.00 2.94 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 0.00 234 N 8.38 4.34 0.00 2.92 2.84 0.00 0.00 6.96 7.50 0.00 0.00 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 8.57 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 4.10 0.00 3.96 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 0.00 237 K 8.11 3.98 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.69 7.81 238 N 8.57 4.27 0.00 3.01 2.87 0.00 0.00 6.90 6.74 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 0.00 239 A 8.13 3.96 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 240 S 8.25 4.00 0.00 4.08 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 0.00 241 E 8.34 3.98 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 242 M 8.29 4.10 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 243 I 7.94 3.65 2.03 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 1.50 0.54 0.89 0.00 0.00 244 D 7.85 4.36 0.00 2.87 2.73 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 0.00 245 K 7.81 3.95 0.00 1.92 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.50 7.81 246 L 8.00 4.13 0.00 1.90 1.72 0.93 0.76 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 0.00 247 T 8.10 4.01 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 248 L 8.38 4.02 0.00 1.83 1.73 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 249 T 7.92 3.86 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 1.24 0.00 0.00 250 F 8.69 4.05 0.00 3.17 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 0.00 251 N 8.22 4.83 0.00 2.79 2.89 0.00 0.00 7.13 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 0.00 252 R 8.18 3.93 0.00 1.99 1.96 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 253 T 8.39 3.79 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 254 R 8.75 3.59 0.00 1.14 1.83 0.00 3.17 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 255 Q 8.34 3.93 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 256 A 7.71 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 V 7.92 3.49 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 1.02 0.00 0.00 0.92 0.00 0.00 258 I 7.39 3.63 1.98 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 1.49 1.25 0.89 0.00 0.00 259 T 7.93 3.84 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 1.20 0.00 0.00 260 K 8.61 3.83 0.00 1.79 2.00 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 261 E 8.63 3.96 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 262 L 7.61 4.05 0.00 1.93 1.79 0.91 1.45 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 0.00 263 I 7.97 3.74 1.86 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 1.51 0.67 0.90 0.00 0.00 264 E 8.14 3.98 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 265 I 7.49 3.74 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.63 0.91 0.00 0.00 266 I 7.90 3.65 1.99 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 1.72 0.85 0.91 0.00 0.00 267 S 8.22 4.27 0.00 3.86 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 0.00 268 G 7.67 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 269 A 8.12 4.17 1.37 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 0.00 0.00 0.00 270 A 8.35 4.05 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 0.00 271 A 7.74 4.09 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 0.00 272 L 7.36 4.11 0.00 1.77 1.60 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.