NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 5.0881 8.3987 119.7436 55.5967 33.5077 174.0700 *79 A 4.0229 7.9622 124.9760 51.8301 20.7200 174.8851 80 L 5.0011 7.6856 119.5460 53.5732 45.0378 175.2412 81 Y 5.0028 8.7075 122.2858 56.2723 42.7081 174.1526 82 R 4.8062 8.6512 123.0232 55.1551 32.0537 174.7898 83 V 4.5865 8.8665 127.3881 61.0731 34.0252 174.1367 84 V 4.5746 8.1946 128.2970 61.1620 33.5505 174.2539 85 L 4.8958 8.7431 128.8529 53.9684 42.4254 176.1854 86 L 4.4245 10.1670 124.1199 52.3963 45.3637 175.4845 87 G 4.6681 8.3088 106.3779 43.9365 0.0000 172.9658 88 D 4.7021 8.3683 120.7311 53.4191 41.4951 174.7601 89 P 4.4106 0.0000 0.0000 64.3125 31.7383 177.2998 90 G 4.0410 8.9832 110.3211 45.4772 0.0000 174.6445 91 V 3.7733 7.1150 111.3050 62.2999 32.0828 176.9727 92 G 4.2797 8.4068 109.5367 45.7232 0.0000 176.1282 93 K 3.9745 8.5599 120.5892 59.7055 32.1061 179.1512 94 T 4.1422 7.8284 116.7094 66.0835 68.3599 176.8354 95 S 4.0959 8.0073 116.6556 61.6112 62.9847 176.4822 96 L 4.0584 8.0527 121.4018 57.8240 41.2882 179.5183 97 A 3.8394 8.0543 120.6698 55.1540 18.2709 179.9280 98 S 3.8162 7.9598 113.7373 61.5303 62.6322 176.8988 99 L 3.9612 7.6567 120.9760 57.6209 41.4032 178.9727 100 F 3.9583 7.8623 119.5791 61.1269 39.2690 176.8404 101 A 3.7957 7.9660 119.8307 53.3969 18.4660 178.3629 102 G 3.6515 7.8244 107.4451 45.0834 0.0000 175.3460 103 K 3.8284 8.3901 119.5442 55.2903 31.4164 173.1895 *109 H 4.8598 8.3210 121.3444 56.9706 31.2489 174.2850 110 E 3.9446 8.2469 117.5950 58.8177 29.9033 177.4343 111 Q 3.9434 7.8617 118.6978 54.5366 28.2712 180.7731 112 L 3.9543 8.3799 126.5642 54.9606 42.4721 177.1477 113 G 4.1253 8.9478 113.9986 46.6242 0.0000 173.0140 114 E 4.4812 8.5146 114.2842 55.7080 33.0744 177.3358 115 D 4.9621 7.7093 117.9936 53.9156 40.6756 176.8306 116 V 4.7677 6.9534 116.7248 61.3528 34.8904 174.5254 117 Y 4.9002 9.2552 127.3768 56.8202 41.4525 174.9921 118 E 5.3727 8.8531 120.8421 54.9165 33.5490 172.6644 119 R 4.5038 9.0180 123.0154 54.6535 34.2215 173.5782 120 T 4.9896 8.4158 122.0014 62.3297 69.8169 173.9231 121 L 4.7614 9.2519 127.1138 53.2834 44.6743 175.7845 122 T 4.9426 8.4402 119.5873 62.2912 69.6637 174.5499 123 V 4.3448 8.6919 126.3434 62.4808 34.7781 175.0023 124 D 4.3746 9.8978 126.0617 55.5534 38.3401 174.5735 125 G 3.9442 8.3757 102.8721 45.7226 0.0000 172.9402 126 E 4.7229 8.1986 120.3709 54.2319 33.2004 174.3942 127 D 5.2677 8.6907 125.8284 54.3417 43.0959 175.5056 128 T 4.9275 8.8564 117.7880 62.7199 73.7723 172.7692 129 T 4.9643 8.9373 123.1731 62.3380 70.6496 173.6828 130 L 5.3027 8.9611 125.8241 52.9721 45.1237 175.5873 131 V 4.6144 8.8505 123.7141 61.4351 33.5308 174.4438 132 V 4.6174 9.2785 129.6930 61.5492 33.0840 174.5029 133 V 4.5661 8.9225 128.9769 60.8826 32.8199 175.1400 134 D 5.2994 8.8905 127.2060 53.8465 40.2402 175.9745 135 T 4.5588 7.9015 105.1534 60.9452 70.0830 174.5316 136 W 4.1295 8.1935 132.0617 57.6385 30.1322 175.3569 *144 S 4.2862 8.3134 119.7083 57.6247 63.5454 173.6949 145 W 4.4008 8.8143 135.0000 60.7280 30.7167 178.2578 146 S 3.9900 8.0657 113.8623 61.3821 62.3553 176.3461 147 Q 4.0614 8.1262 120.9730 58.7317 28.5265 178.2502 148 E 4.2752 8.3962 121.0350 60.3451 29.8485 180.1383 149 S 4.4279 8.6012 118.4523 62.7699 62.0808 177.3930 150 C 4.1864 7.8330 120.0853 63.1088 31.2080 174.5499 151 L 4.4949 8.0994 117.1152 54.9232 41.4999 177.4563 152 Q 4.6519 8.3558 117.2425 55.0969 30.3165 181.7251 153 G 3.9473 8.2580 103.1874 46.8295 0.0000 174.3405 154 G 3.3746 7.9497 109.1438 45.2631 0.0000 174.0867 155 S 4.4122 8.7212 119.4924 60.8958 63.6002 174.4232 156 A 4.7705 7.3573 118.9665 50.7368 22.5722 174.6608 157 Y 4.8669 8.7313 117.0952 56.0986 41.7874 175.0467 158 V 4.4830 8.8194 124.5944 61.3757 33.5079 174.6749 159 I 4.6025 8.5517 130.8986 60.3323 37.7773 175.1256 160 V 4.8625 8.9788 128.7500 61.3467 33.6687 174.2539 161 Y 4.9352 8.7316 124.9377 55.3234 42.4136 173.6512 162 S 5.1900 8.8495 114.8182 56.4931 63.7609 175.1215 163 I 3.8910 8.6545 120.8127 63.2367 37.4238 176.9939 164 A 4.5522 7.6698 122.5905 52.1350 19.1788 176.9071 165 D 4.7064 8.2851 116.7486 51.4075 42.5061 175.3757 166 R 4.0943 9.6686 127.4888 59.5498 30.0663 177.7866 167 G 3.8510 8.0163 105.4439 48.1991 0.0000 175.6939 168 S 4.5604 8.2923 117.5803 60.5303 62.8677 176.4237 169 F 3.8848 8.2334 123.8918 60.9393 38.9982 176.7977 170 E 3.7148 8.3372 118.5644 59.3756 29.1172 179.3692 171 S 4.2030 7.9612 111.9042 60.1890 63.5219 175.9049 172 A 4.0711 7.6404 125.2128 55.5220 17.6270 179.4008 173 S 3.8834 7.2823 113.3697 61.9756 62.9167 176.8285 174 E 3.9499 7.7383 121.5068 59.2190 29.2870 178.9136 175 L 3.9310 7.7684 119.2027 57.4681 41.5172 179.3538 176 R 3.7657 7.7851 118.3705 59.4227 30.0844 178.5157 177 I 3.6603 7.3904 118.6044 64.2239 36.5687 178.3829 178 Q 3.9664 7.9466 118.8675 59.0745 28.3828 178.7873 179 L 3.7838 7.5933 118.4739 57.6957 41.6408 179.4235 180 R 4.0159 7.9721 120.1628 60.2843 30.2151 179.0486 181 R 4.0651 7.8248 119.1580 61.9450 29.2240 180.2070 182 T 4.2656 7.4884 110.0820 65.3707 69.1460 176.9674 *187 H 4.6836 7.7310 118.0524 52.7083 30.0014 175.3201 188 V 4.6127 7.6353 118.8939 59.9950 34.3620 173.1647 189 P 4.3924 0.0000 0.0000 62.9718 32.6800 175.1055 190 I 5.0706 8.3830 123.7719 59.5949 40.9127 174.1094 191 I 4.7857 8.6709 128.1386 59.4097 39.8146 174.3815 192 L 4.9123 9.1168 130.4339 54.1504 43.5697 175.2089 193 V 4.4829 9.0361 127.1416 61.0508 34.2687 174.6261 194 G 3.3488 8.4563 116.3766 44.8235 0.0000 172.6078 195 N 5.0189 8.8013 126.8905 51.9999 41.6271 174.4712 196 K 4.1010 8.7866 115.9968 56.8946 29.1924 178.3054 197 A 4.0285 7.9735 124.2767 55.1152 18.2220 179.8381 198 D 4.4622 8.0456 114.7998 55.7951 40.2608 176.5230 199 L 4.2784 7.7951 121.9287 54.4380 41.2629 178.3918 200 A 3.9909 7.9677 124.2041 55.2863 18.9168 180.0357 201 R 4.2457 7.8956 112.7127 57.8048 29.9100 182.0752 202 C 4.4377 8.0507 111.9930 60.6048 28.8054 173.5118 203 R 3.8372 7.1595 119.1687 56.1205 29.3631 174.9102 204 E 4.4821 9.1857 125.5194 56.0006 31.4232 176.3034 205 V 4.2750 7.5194 118.2511 60.3464 33.4891 175.8448 206 S 4.3788 9.0438 123.1723 57.8442 65.0031 175.3466 207 V 3.6653 8.2473 121.7491 66.4261 31.2246 178.0570 208 E 3.9031 8.0817 117.7159 59.3422 29.4235 179.0940 209 E 4.0107 8.4487 119.3382 59.1386 29.5643 179.4885 210 G 3.4542 7.7466 105.7202 47.6972 0.0000 175.9866 211 R 3.3045 7.5405 120.3342 58.7083 30.0163 178.8203 212 A 3.9424 7.9482 120.6423 55.5292 18.2035 179.2876 213 C 4.0238 8.0114 116.4001 62.4089 31.6394 175.6936 214 A 3.9876 7.7907 122.0811 55.0248 17.7488 179.6527 215 V 3.5174 7.5780 115.7972 66.3130 31.6525 178.1960 216 V 3.7289 7.9071 117.1018 65.7203 31.4852 177.4713 *217 F 4.1987 8.4474 118.3950 57.7846 39.5804 175.4286 218 D 4.4113 7.9930 116.8544 53.7929 37.0803 176.6559 219 C 4.8540 7.4384 113.9657 57.6948 33.4840 174.5995 220 K 4.6980 8.5736 117.4956 55.4170 34.2086 175.8473 221 F 5.4626 8.4753 123.1535 56.8732 42.4660 173.4403 222 I 4.1186 7.6461 123.8511 59.5671 41.8700 172.7794 223 E 4.9153 8.2232 126.2237 54.7267 31.7013 175.2025 224 T 4.7935 8.5374 113.0716 59.9073 73.2731 172.6231 225 S 4.9376 8.8658 115.4517 56.7360 65.0440 174.6968 226 A 4.0714 8.6834 130.2211 55.0499 18.5465 179.4401 227 T 4.1117 7.8420 105.2017 63.9929 69.2860 175.4925 228 L 4.2422 7.8293 119.6368 54.1084 42.5551 176.0600 229 Q 3.4103 7.2756 115.7725 57.4961 26.6828 173.4012 230 H 4.7635 8.4362 117.3209 55.4591 32.2899 173.6502 231 N 4.5436 8.6700 121.1778 53.9732 36.5464 176.3034 232 V 3.5750 7.7003 118.9397 66.0482 31.7034 177.6530 233 A 4.1793 8.0856 120.0107 55.5894 17.9354 179.3343 234 E 3.9075 8.1636 116.3356 59.1248 29.4857 179.1700 235 L 3.7717 7.7739 120.5115 58.3100 42.1633 179.2022 236 F 4.0869 7.9437 117.1474 60.4438 38.8562 177.6721 237 E 4.1928 8.8336 118.9163 59.2573 29.1567 179.6715 238 G 3.5242 8.1904 105.9362 47.5789 0.0000 175.8128 239 V 3.4874 7.7918 120.8437 65.7162 31.5298 178.0252 240 V 3.5952 7.7170 117.7790 66.3095 31.3256 178.0955 241 R 3.9407 7.9062 117.4446 59.5074 29.6990 179.1261 242 Q 3.9860 7.9874 116.6156 58.9355 28.5659 178.5284 243 L 3.8702 7.9877 120.1246 57.7483 41.5080 179.7856 244 R 4.0448 8.0705 117.8218 58.8635 29.7407 178.9656 245 L 4.1558 7.6280 120.3827 58.0873 41.5937 179.6391 246 R 4.0760 7.5776 122.2903 62.2782 29.3786 183.0197 247 R 4.3135 7.9669 120.4178 60.4139 29.4589 178.5805 248 R 4.3958 7.7109 122.1760 56.3057 30.2272 175.0822 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 0 M 8.40 5.09 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 *79 A 7.96 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.69 5.00 0.00 1.49 1.35 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.71 5.00 0.00 3.00 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 82 R 8.65 4.81 0.00 1.89 1.78 0.00 3.11 0.00 0.00 3.40 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 83 V 8.87 4.59 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 0.75 0.00 0.00 0.89 0.00 0.00 84 V 8.19 4.57 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 1.14 0.00 0.00 0.70 0.00 0.00 85 L 8.74 4.90 0.00 1.76 1.65 1.03 1.10 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 86 L 10.17 4.42 0.00 1.23 0.79 0.48 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 G 8.31 4.67 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 0.00 0.00 0.00 88 D 8.37 4.70 0.00 2.83 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 89 P 0.00 4.41 0.00 2.08 2.03 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 90 G 8.98 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 91 V 7.11 3.77 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 0.82 0.00 0.00 1.10 0.00 0.00 92 G 8.41 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 93 K 8.56 3.97 0.00 1.89 1.94 0.00 1.78 0.00 0.00 2.03 0.00 0.00 3.21 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.58 1.60 7.81 94 T 7.83 4.14 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 1.28 0.00 0.00 95 S 8.01 4.10 0.00 4.00 3.91 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 96 L 8.05 4.06 0.00 1.93 1.90 0.88 0.61 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 97 A 8.05 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.96 3.82 0.00 3.92 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 99 L 7.66 3.96 0.00 1.81 1.74 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.86 3.96 0.00 1.56 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.80 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.82 3.65 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 0.00 0.00 0.00 103 K 8.39 3.83 0.00 1.79 1.72 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.02 7.81 *109 H 8.32 4.86 0.00 3.09 3.40 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.25 3.94 0.00 2.09 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 0.00 2.25 2.24 0.00 111 Q 7.86 3.94 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.99 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 112 L 8.38 3.95 0.00 1.54 1.57 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.95 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 0.00 114 E 8.51 4.48 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 2.11 1.85 0.00 115 D 7.71 4.96 0.00 2.62 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 0.00 116 V 6.95 4.77 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 0.79 0.00 0.00 0.88 0.00 0.00 117 Y 9.26 4.90 0.00 3.15 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 0.00 118 E 8.85 5.37 0.00 1.70 1.67 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 2.11 1.83 0.00 119 R 9.02 4.50 0.00 1.16 0.80 0.00 2.60 0.00 0.00 2.48 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.37 0.00 120 T 8.42 4.99 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 1.21 0.00 0.00 121 L 9.25 4.76 0.00 1.63 1.62 1.19 0.54 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 0.00 122 T 8.44 4.94 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 123 V 8.69 4.34 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 1.11 0.00 0.00 0.99 0.00 0.00 124 D 9.90 4.37 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.38 3.94 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 0.00 0.00 0.00 126 E 8.20 4.72 0.00 2.02 1.93 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 2.22 2.28 0.00 127 D 8.69 5.27 0.00 2.68 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.86 4.93 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 1.45 0.00 0.00 129 T 8.94 4.96 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 1.29 0.00 0.00 130 L 8.96 5.30 0.00 1.74 1.52 1.01 0.67 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 0.00 131 V 8.85 4.61 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 1.01 0.00 0.00 0.96 0.00 0.00 132 V 9.28 4.62 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 0.86 0.00 0.00 0.04 0.00 0.00 133 V 8.92 4.57 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 1.00 0.00 0.00 0.94 0.00 0.00 134 D 8.89 5.30 0.00 2.99 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 0.00 135 T 7.90 4.56 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 0.00 136 W 8.19 4.13 0.00 3.45 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *144 S 8.31 4.29 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 W 8.81 4.40 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 0.00 146 S 8.07 3.99 0.00 4.03 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 0.00 147 Q 8.13 4.06 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 148 E 8.40 4.28 0.00 2.51 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.19 0.00 149 S 8.60 4.43 0.00 3.73 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 0.00 150 C 7.83 4.19 0.00 3.22 3.43 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 0.00 151 L 8.10 4.49 0.00 1.69 1.55 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.36 4.65 0.00 2.03 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 153 G 8.26 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 0.00 0.00 0.00 154 G 7.95 3.37 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 0.00 155 S 8.72 4.41 0.00 3.82 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 A 7.36 4.77 1.05 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 0.00 0.00 157 Y 8.73 4.87 0.00 2.93 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 0.00 158 V 8.82 4.48 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 0.88 0.00 0.00 0.76 0.00 0.00 159 I 8.55 4.60 1.89 0.00 0.00 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 0.98 0.50 0.92 0.00 0.00 160 V 8.98 4.86 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 0.93 0.00 0.00 0.89 0.00 0.00 161 Y 8.73 4.94 0.00 3.18 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 0.00 162 S 8.85 5.19 0.00 3.98 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 0.00 163 I 8.65 3.89 1.90 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 1.35 0.93 0.89 0.00 0.00 164 A 7.67 4.55 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 0.00 165 D 8.29 4.71 0.00 2.77 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 0.00 166 R 9.67 4.09 0.00 2.09 2.00 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 167 G 8.02 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 0.00 168 S 8.29 4.56 0.00 4.27 4.26 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 0.00 169 F 8.23 3.88 0.00 2.82 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 0.00 170 E 8.34 3.71 0.00 2.21 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 2.48 0.00 171 S 7.96 4.20 0.00 4.09 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 0.00 172 A 7.64 4.07 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 0.00 173 S 7.28 3.88 0.00 3.76 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 0.00 174 E 7.74 3.95 0.00 2.07 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 2.31 2.22 0.00 175 L 7.77 3.93 0.00 1.79 1.45 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 176 R 7.79 3.77 0.00 1.83 1.98 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 177 I 7.39 3.66 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.70 0.88 0.00 0.00 178 Q 7.95 3.97 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 179 L 7.59 3.78 0.00 1.63 1.51 0.57 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 180 R 7.97 4.02 0.00 1.84 2.07 0.00 3.26 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 181 R 7.82 4.07 0.00 1.96 1.86 0.00 3.32 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 182 T 7.49 4.27 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 1.22 0.00 0.00 *187 H 7.73 4.68 0.00 2.98 3.03 0.00 7.16 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 V 7.64 4.61 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 0.98 0.00 0.00 1.11 0.00 0.00 189 P 0.00 4.39 0.00 2.02 1.96 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 190 I 8.38 5.07 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.99 0.91 0.00 0.00 191 I 8.67 4.79 1.76 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 1.04 0.91 0.85 0.00 0.00 192 L 9.12 4.91 0.00 1.88 1.85 1.17 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 193 V 9.04 4.48 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 0.75 0.00 0.00 0.74 0.00 0.00 194 G 8.46 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 0.00 0.00 0.00 195 N 8.80 5.02 0.00 2.68 2.71 0.00 0.00 7.04 6.37 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 0.00 196 K 8.79 4.10 0.00 2.01 1.89 0.00 2.02 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.36 7.81 197 A 7.97 4.03 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 0.00 198 D 8.05 4.46 0.00 2.90 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 0.00 199 L 7.80 4.28 0.00 1.84 1.69 0.93 0.54 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 0.00 200 A 7.97 3.99 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 0.00 201 R 7.90 4.25 0.00 1.84 1.85 0.00 3.26 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 202 C 8.05 4.44 0.00 3.05 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 0.00 203 R 7.16 3.84 0.00 1.93 1.85 0.00 3.20 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 204 E 9.19 4.48 0.00 1.95 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 2.37 0.00 205 V 7.52 4.28 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 -0.12 0.00 0.00 0.80 0.00 0.00 206 S 9.04 4.38 0.00 4.16 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 0.00 207 V 8.25 3.67 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 1.32 0.00 0.00 0.96 0.00 0.00 208 E 8.08 3.90 0.00 2.05 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 2.38 2.44 0.00 209 E 8.45 4.01 0.00 1.87 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 0.00 2.29 2.25 0.00 210 G 7.75 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 0.00 211 R 7.54 3.30 0.00 1.83 1.83 0.00 3.11 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 1.48 1.60 0.00 212 A 7.95 3.94 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 0.00 213 C 8.01 4.02 0.00 3.34 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 A 7.79 3.99 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 0.00 215 V 7.58 3.52 2.22 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 0.81 0.00 0.00 0.95 0.00 0.00 216 V 7.91 3.73 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 0.85 0.00 0.00 0.93 0.00 0.00 *217 F 8.45 4.20 0.00 2.33 2.30 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 0.00 218 D 7.99 4.41 0.00 2.87 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 C 7.44 4.85 0.00 3.20 2.92 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 0.00 0.00 0.00 220 K 8.57 4.70 0.00 1.72 1.76 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.50 7.81 221 F 8.48 5.46 0.00 2.95 2.89 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 0.00 222 I 7.65 4.12 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.10 0.64 0.00 0.00 223 E 8.22 4.92 0.00 1.75 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 224 T 8.54 4.79 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 1.07 0.00 0.00 225 S 8.87 4.94 0.00 3.90 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 0.00 226 A 8.68 4.07 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 0.00 227 T 7.84 4.11 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 1.21 0.00 0.00 228 L 7.83 4.24 0.00 1.70 1.75 0.89 0.95 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 0.00 229 Q 7.28 3.41 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 230 H 8.44 4.76 0.00 3.07 3.12 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 N 8.67 4.54 0.00 2.71 2.71 0.00 0.00 7.27 7.68 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 0.00 232 V 7.70 3.58 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 1.28 0.00 0.00 0.95 0.00 0.00 233 A 8.09 4.18 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 0.00 234 E 8.16 3.91 0.00 2.00 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 2.37 2.42 0.00 235 L 7.77 3.77 0.00 1.56 1.55 0.58 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 236 F 7.94 4.09 0.00 3.29 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 0.00 237 E 8.83 4.19 0.00 2.08 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 2.41 2.62 0.00 238 G 8.19 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.49 2.23 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 0.98 0.00 0.00 0.82 0.00 0.00 240 V 7.72 3.60 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 1.07 0.00 0.00 1.07 0.00 0.00 241 R 7.91 3.94 0.00 2.06 1.96 0.00 3.18 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 242 Q 7.99 3.99 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 243 L 7.99 3.87 0.00 1.46 0.70 0.43 0.47 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 0.00 244 R 8.07 4.04 0.00 2.05 2.00 0.00 3.16 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 245 L 7.63 4.16 0.00 1.75 1.72 0.91 1.18 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 0.00 246 R 7.58 4.08 0.00 1.92 1.83 0.00 3.29 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 247 R 7.97 4.31 0.00 1.90 1.90 0.00 3.18 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.27 0.00 248 R 7.71 4.40 0.00 1.99 1.79 0.00 3.37 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 1.53 1.40 0.00 * Residues marked with a * may have inaccurate shift predictions.