NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9336 8.3393 109.7366 45.5585 0.0000 173.0560 2 S 4.3901 7.5902 112.0315 56.0560 65.5047 171.7110 3 P 4.2219 0.0000 0.0000 64.0224 31.8844 178.5426 4 G 3.8765 7.7303 105.0596 46.5469 0.0000 175.1801 5 I 3.8576 8.1197 122.6535 62.9305 37.4820 176.8549 6 G 4.1788 7.8948 107.7054 43.1402 0.0000 173.1194 7 G 4.4488 9.3011 122.2645 46.3215 0.0000 174.3156 8 G 3.7058 9.0171 108.2416 44.3095 0.0000 170.9775 9 G 3.6899 9.2514 104.3218 44.2299 0.0000 172.5654 10 G 4.2791 9.2694 108.0686 46.3607 0.0000 176.6282 11 G 3.5812 7.9799 105.2800 47.4825 0.0000 175.4371 12 I 3.8916 7.6619 121.6773 64.1424 37.0221 178.2259 13 L 3.9855 7.8593 118.1710 57.9885 41.5750 178.7827 14 D 4.4961 8.1696 116.9463 56.3643 41.5944 177.1375 15 S 4.4077 7.6073 115.4850 57.3147 63.4023 174.5419 *17 V 3.6318 7.3223 120.8251 63.8818 32.4635 173.7151 *140 E 4.3159 8.3839 124.8755 56.3634 30.4806 176.6538 141 K 4.2895 8.3220 121.5706 55.6503 30.4842 176.4802 142 L 4.4508 8.2478 118.5300 53.9629 42.4493 177.1420 143 G 4.0470 9.0211 106.7628 44.5046 0.0000 172.2344 144 K 5.2407 8.7925 116.0282 55.1574 36.5194 175.0714 145 L 5.3420 9.2025 123.5856 53.5142 45.4219 174.6135 146 Q 4.6457 8.9902 127.8582 54.5570 30.6964 173.8363 147 Y 5.4216 8.3995 123.6348 55.4585 42.0576 173.8715 148 S 4.9781 9.2549 113.8662 56.8690 67.1641 172.6098 149 L 5.0805 9.0320 122.1120 54.0686 45.9472 174.0873 150 D 4.9280 9.1652 124.5516 53.2822 45.3370 172.9485 151 Y 4.6304 8.8081 127.0867 56.4092 40.7598 173.9143 152 D 4.7537 8.2614 127.6183 52.9286 40.2462 176.6243 153 F 4.5148 8.6204 125.6373 59.6341 39.5907 177.3050 154 Q 4.1400 8.5079 121.3821 58.8476 28.9315 176.3034 155 N 4.6230 8.1885 111.7657 52.3457 40.4557 174.1210 156 N 4.3734 8.6277 115.3745 52.7468 36.1856 173.0667 157 Q 4.7972 6.2764 115.4484 54.6979 33.1240 174.8428 158 L 4.7434 9.1608 124.0611 54.1633 43.9664 174.9829 159 L 5.1829 9.0224 126.8462 53.0669 44.2796 175.4963 160 V 4.8935 9.1674 124.0797 61.0879 34.5976 174.1616 161 G 4.3252 9.1884 115.8896 44.1118 0.0000 172.4545 162 I 4.6166 8.9530 128.1101 60.5334 38.0857 176.4581 163 I 4.1426 8.7394 128.9503 62.2064 37.9217 175.9846 164 Q 5.1061 7.5034 116.7444 55.6091 31.4526 171.7964 165 A 5.6664 9.0100 121.4343 50.4826 22.9963 174.9678 166 A 4.8056 9.0260 119.7329 50.7908 22.9781 176.1438 167 E 3.9543 9.4983 117.3531 57.1272 27.7976 175.2874 168 L 4.1791 7.7338 117.6305 53.9040 42.3757 175.8383 169 P 4.3758 0.0000 0.0000 62.2722 32.0449 176.3229 170 A 4.2050 8.3194 123.8553 51.7860 19.3192 177.4449 171 L 4.1519 8.8988 120.9690 55.1470 42.3398 178.7623 172 D 4.2566 7.8754 122.4531 57.3107 42.5119 177.5178 173 M 4.5607 7.6831 116.6512 53.8111 31.6869 174.9377 174 G 4.0041 8.4872 109.1637 46.0062 0.0000 172.1316 175 G 4.0535 8.5553 106.8188 44.5439 0.0000 172.6444 176 T 5.0123 8.2670 109.0048 59.6947 72.3316 173.9749 177 S 4.6976 8.4820 117.6600 57.8063 65.8925 173.0220 178 D 5.8500 9.4196 119.5025 51.1616 40.0952 174.0119 179 P 5.8060 0.0000 0.0000 62.6471 33.4076 175.8985 180 Y 5.4852 8.4412 118.5342 55.9914 42.0849 173.2716 181 V 4.7420 8.8317 120.0056 61.0751 34.5601 174.2817 182 K 5.0495 9.2124 127.4550 55.1882 34.4262 175.7391 183 V 4.8542 8.7296 123.8506 61.3529 35.0106 174.1170 184 F 5.3317 8.0408 120.5583 56.5662 41.2839 172.2952 185 L 4.9925 8.4234 118.5955 52.9986 44.2069 175.8793 186 L 4.9589 9.0412 123.4427 52.5712 44.0735 175.2227 187 P 4.7926 0.0000 0.0000 62.5975 31.6670 175.6186 188 D 4.3849 7.0872 118.8686 55.7231 41.0845 176.9997 189 K 4.3691 8.4029 120.4242 56.0800 32.6778 177.0897 190 K 4.1545 7.6332 118.5424 55.5978 32.6420 176.8693 191 K 3.8463 8.2592 120.4332 56.6613 32.4184 177.3419 192 K 4.1405 8.1355 122.8376 56.4137 32.7928 176.9670 193 F 4.6649 8.7360 122.5068 57.4977 40.4789 174.4734 194 E 5.2966 8.4240 119.2322 54.9849 33.4027 175.5466 195 T 4.8870 8.7462 114.3272 60.4348 70.1133 174.4687 196 K 4.1719 9.2983 122.1346 56.4037 32.6179 177.0226 197 V 4.3155 7.9982 121.1696 62.9254 32.4933 174.8828 198 H 4.7879 9.3780 125.5128 54.1713 30.3226 174.2985 199 R 4.2827 8.6639 123.0858 56.1618 30.8212 177.1088 200 K 4.3261 8.9896 121.1173 55.9254 30.0583 175.0945 201 T 4.6306 8.1554 110.4496 61.0341 71.1778 173.0794 202 L 4.5780 8.5673 126.3907 55.1845 42.9299 175.8130 203 N 5.7093 8.2297 115.4097 50.3470 38.1632 172.8680 204 P 4.2064 0.0000 0.0000 62.5268 33.6541 177.2740 205 V 4.1868 7.8371 122.3017 61.7207 32.1132 175.1168 206 F 4.2901 8.8586 127.1873 58.9726 39.5898 176.5275 207 N 4.1822 7.8904 113.2328 54.7966 36.1572 173.6564 208 E 4.6945 8.3252 116.2616 54.4189 34.0604 176.5983 209 Q 4.6924 8.0989 122.6405 54.2532 31.8858 174.4391 210 F 4.5653 9.2379 123.8344 55.7375 42.8426 174.1875 211 T 4.9739 7.7597 117.2838 61.7955 71.4542 173.3184 212 F 4.7684 9.5141 125.6759 55.8315 41.1362 175.4011 213 K 4.3813 8.8847 124.9047 55.4966 30.6940 175.1908 214 V 4.5328 8.1027 120.2168 60.0474 34.6378 173.2584 215 P 4.5809 0.0000 0.0000 62.5756 32.2440 176.4850 216 Y 3.4935 8.9201 122.5789 60.9118 38.2965 178.9606 217 S 3.9738 8.1234 113.3268 60.9283 63.0403 175.2390 218 E 4.2700 7.7527 119.5477 56.6538 29.9367 177.2460 219 L 4.1807 7.5778 121.6860 57.1278 41.9918 178.3302 220 G 3.6997 7.7562 107.1968 48.4766 0.0000 174.0331 221 G 3.8506 7.8621 105.2767 45.3149 0.0000 173.2193 222 K 4.7049 7.9016 120.0758 55.3217 34.9622 175.6008 223 T 4.8478 8.5736 117.7641 61.7613 72.5404 173.0647 224 L 4.3319 8.6948 129.0699 54.2507 43.8058 175.3588 225 V 4.3222 8.0357 126.1971 61.0308 34.5647 173.9520 226 M 4.9589 7.8289 126.0125 53.2694 35.3365 174.3451 227 A 4.9470 8.8655 125.0985 50.0480 22.7375 174.5733 228 V 4.5194 8.7316 123.4748 61.7639 33.3656 174.5549 229 Y 4.9078 8.5787 125.0838 56.1575 41.8344 174.3404 230 D 5.2777 8.8380 121.7617 52.4791 42.0768 175.8410 231 F 4.2618 9.3908 130.1371 58.4372 40.1197 174.1645 232 D 4.3037 6.9684 123.7828 52.4515 44.0782 175.2004 233 R 3.4881 8.0136 125.9191 57.9944 30.2379 176.6666 234 F 4.9233 8.3479 114.0635 57.1936 39.9583 174.5971 235 S 4.6997 7.6502 115.6086 56.3009 66.9103 173.6723 236 K 3.8984 8.4874 120.8104 57.7271 32.4944 176.1872 237 H 4.6948 8.4887 119.0311 55.8208 29.3958 174.9313 238 D 4.6801 8.8652 123.6426 54.0773 42.0750 175.6490 239 I 3.5214 8.3433 123.1165 61.4036 38.4176 175.2883 240 I 4.0588 8.4706 130.4903 62.1019 37.8384 176.0007 241 G 4.1261 7.4436 106.1836 46.2133 0.0000 170.7669 242 E 5.3296 8.7927 117.5049 55.5276 33.6573 173.7477 243 F 5.2194 8.3240 113.8398 55.9740 41.6786 173.0596 244 K 4.8100 8.7033 117.9344 54.5999 35.6321 176.6056 245 V 4.2845 8.7368 123.4170 60.1457 33.3978 172.6570 246 P 4.5369 0.0000 0.0000 62.3857 32.0102 178.0480 247 M 4.1445 8.9545 123.4891 58.2786 32.0321 177.9247 248 N 4.7530 8.2009 114.0413 54.3082 37.7616 175.3294 249 T 4.5600 7.6390 108.1463 61.3364 69.2636 173.9456 250 V 3.7616 7.4674 121.5158 62.3324 32.5541 175.5055 251 D 4.6889 8.2854 126.2116 53.1324 40.1911 176.6514 252 F 4.5491 8.9506 125.4667 59.0163 39.2874 176.9367 253 G 3.9614 8.4851 108.9810 46.7117 0.0000 173.1939 254 H 4.8885 7.6735 117.1772 53.9168 33.1923 172.7884 255 V 3.8840 7.9186 124.4133 63.5381 32.1881 175.1257 256 T 4.5771 8.8114 124.8000 62.2926 70.4513 173.6055 257 E 4.8387 8.3740 126.4509 54.8605 32.7344 173.6351 258 E 4.6511 8.1737 123.3973 55.2455 33.6001 173.7857 259 W 5.1328 8.6826 120.4763 55.7506 30.6715 176.1496 260 R 4.5404 9.0240 123.2854 54.0377 33.0227 174.6939 261 D 4.8590 8.6272 123.8900 54.1130 41.5527 176.2084 262 L 4.3516 8.8942 124.7377 55.0565 42.3465 176.6351 263 Q 4.7443 9.0391 122.6444 53.9195 31.5534 175.4336 264 S 4.3933 8.6320 117.5720 59.3289 63.7734 174.4821 265 A 4.0465 8.7797 124.7436 52.0299 18.4619 177.3594 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 G 8.34 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 0.00 0.00 0.00 2 S 7.59 4.39 0.00 4.02 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 3 P 0.00 4.22 0.00 2.06 2.17 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 4 G 7.73 3.88 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 0.00 0.00 0.00 5 I 8.12 3.86 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 1.35 0.58 0.91 0.00 0.00 6 G 7.89 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 0.00 0.00 0.00 7 G 9.30 4.45 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 8 G 9.02 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 0.00 0.00 0.00 9 G 9.25 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 9.27 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 11 G 7.98 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.66 3.89 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 1.64 1.20 0.91 0.00 0.00 13 L 7.86 3.99 0.00 1.78 1.74 0.92 1.00 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 14 D 8.17 4.50 0.00 2.77 2.82 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 15 S 7.61 4.41 0.00 4.10 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 *17 V 7.32 3.63 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 1.00 0.00 0.00 0.93 0.00 0.00 *140 E 8.38 4.32 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 141 K 8.32 4.29 0.00 1.74 1.77 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 142 L 8.25 4.45 0.00 1.79 1.67 0.92 1.07 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 0.00 143 G 9.02 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 0.00 0.00 0.00 144 K 8.79 5.24 0.00 2.14 1.92 0.00 0.84 0.00 0.00 1.34 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.50 7.81 145 L 9.20 5.34 0.00 2.01 1.90 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.99 4.65 0.00 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.42 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 147 Y 8.40 5.42 0.00 3.23 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 9.25 4.98 0.00 3.82 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 0.00 149 L 9.03 5.08 0.00 1.89 1.57 0.98 1.10 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 0.00 150 D 9.17 4.93 0.00 2.82 2.45 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 0.00 151 Y 8.81 4.63 0.00 3.50 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 0.00 152 D 8.26 4.75 0.00 2.50 2.40 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 0.00 153 F 8.62 4.51 0.00 3.18 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 0.00 154 Q 8.51 4.14 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 155 N 8.19 4.62 0.00 2.87 2.80 0.00 0.00 7.13 8.10 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 0.00 156 N 8.63 4.37 0.00 3.03 3.03 0.00 0.00 6.75 7.28 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 0.00 157 Q 6.28 4.80 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 158 L 9.16 4.74 0.00 2.10 1.86 1.15 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 159 L 9.02 5.18 0.00 1.69 1.54 0.87 0.39 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 0.00 160 V 9.17 4.89 2.43 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 1.20 0.00 0.00 1.21 0.00 0.00 161 G 9.19 4.33 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 0.00 162 I 8.95 4.62 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.48 0.79 0.00 0.00 163 I 8.74 4.14 1.86 0.00 0.00 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 1.25 0.92 0.91 0.00 0.00 164 Q 7.50 5.11 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 165 A 9.01 5.67 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 0.00 166 A 9.03 4.81 1.18 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 0.00 0.00 167 E 9.50 3.95 0.00 2.16 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 2.19 2.18 0.00 168 L 7.73 4.18 0.00 1.71 1.66 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.38 0.00 2.19 2.06 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 170 A 8.32 4.21 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 0.00 171 L 8.90 4.15 0.00 1.93 1.63 0.99 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 172 D 7.88 4.26 0.00 2.64 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 0.00 173 M 7.68 4.56 0.00 2.02 1.99 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 2.51 2.50 0.00 174 G 8.49 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 8.56 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 0.00 0.00 0.00 176 T 8.27 5.01 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 1.24 0.00 0.00 177 S 8.48 4.70 0.00 4.14 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 0.00 178 D 9.42 5.85 0.00 2.98 2.83 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 0.00 179 P 0.00 5.81 0.00 2.47 2.35 0.00 4.28 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 180 Y 8.44 5.49 0.00 3.09 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 V 8.83 4.74 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 0.99 0.00 0.00 0.27 0.00 0.00 182 K 9.21 5.05 0.00 2.00 1.92 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.65 1.46 7.81 183 V 8.73 4.85 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 1.21 0.00 0.00 0.79 0.00 0.00 184 F 8.04 5.33 0.00 3.10 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 0.00 185 L 8.42 4.99 0.00 1.52 1.46 0.69 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 186 L 9.04 4.96 0.00 1.52 1.57 0.95 1.24 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 0.00 187 P 0.00 4.79 0.00 2.17 2.13 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 188 D 7.09 4.38 0.00 3.11 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 0.00 189 K 8.40 4.37 0.00 1.71 1.79 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.42 7.81 190 K 7.63 4.15 0.00 1.72 1.66 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 191 K 8.26 3.85 0.00 1.58 1.63 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.39 7.81 192 K 8.14 4.14 0.00 1.50 1.73 0.00 1.41 0.00 0.00 0.97 0.00 0.00 2.46 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.65 1.09 7.81 193 F 8.74 4.66 0.00 2.47 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 0.00 0.00 0.00 194 E 8.42 5.30 0.00 1.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 195 T 8.75 4.89 4.60 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 1.25 0.00 0.00 196 K 9.30 4.17 0.00 1.87 1.79 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.54 7.81 197 V 8.00 4.32 1.75 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 0.76 0.00 0.00 0.38 0.00 0.00 198 H 9.38 4.79 0.00 3.12 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 R 8.66 4.28 0.00 1.71 1.90 0.00 3.32 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 200 K 8.99 4.33 0.00 1.84 1.85 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 201 T 8.16 4.63 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 1.27 0.00 0.00 202 L 8.57 4.58 0.00 1.76 1.83 0.94 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 0.00 203 N 8.23 5.71 0.00 2.56 2.72 0.00 0.00 6.99 7.29 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 0.00 204 P 0.00 4.21 0.00 0.84 1.88 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 205 V 7.84 4.19 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 0.80 0.00 0.00 0.91 0.00 0.00 206 F 8.86 4.29 0.00 3.24 3.13 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 0.00 207 N 7.89 4.18 0.00 2.83 2.83 0.00 0.00 6.89 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 0.00 208 E 8.33 4.69 0.00 1.81 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 2.16 2.52 0.00 209 Q 8.10 4.69 0.00 1.87 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.75 0.00 0.00 0.00 0.00 0.00 2.03 2.37 0.00 210 F 9.24 4.57 0.00 2.78 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 0.00 0.00 0.00 211 T 7.76 4.97 4.10 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 0.00 0.00 1.21 0.00 0.00 212 F 9.51 4.77 0.00 3.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 K 8.88 4.38 0.00 1.72 1.84 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.49 7.81 214 V 8.10 4.53 2.25 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 0.81 0.00 0.00 1.08 0.00 0.00 215 P 0.00 4.58 0.00 2.26 2.03 0.00 3.85 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 2.15 2.14 0.00 216 Y 8.92 3.49 0.00 2.41 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 8.12 3.97 0.00 4.04 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 0.00 218 E 7.75 4.27 0.00 2.05 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 2.26 2.28 0.00 219 L 7.58 4.18 0.00 1.51 1.26 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 220 G 7.76 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221 G 7.86 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 0.00 222 K 7.90 4.70 0.00 1.69 1.75 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.50 7.81 223 T 8.57 4.85 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 224 L 8.69 4.33 0.00 1.52 1.42 0.64 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 225 V 8.04 4.32 0.67 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 0.65 0.00 0.00 0.61 0.00 0.00 226 M 7.83 4.96 0.00 1.56 0.71 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 227 A 8.87 4.95 1.24 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 0.00 0.00 228 V 8.73 4.52 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 0.98 0.00 0.00 0.98 0.00 0.00 229 Y 8.58 4.91 0.00 1.78 2.62 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 0.00 230 D 8.84 5.28 0.00 2.74 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 0.00 231 F 9.39 4.26 0.00 3.16 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 0.00 232 D 6.97 4.30 0.00 2.53 2.33 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 0.00 233 R 8.01 3.49 0.00 1.45 0.66 0.00 2.94 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.32 0.00 234 F 8.35 4.92 0.00 3.01 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 0.00 235 S 7.65 4.70 0.00 3.83 3.74 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 0.00 236 K 8.49 3.90 0.00 1.86 1.83 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.52 7.81 237 H 8.49 4.69 0.00 3.16 3.64 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 D 8.87 4.68 0.00 2.67 2.62 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 0.00 239 I 8.34 3.52 1.57 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.34 0.84 0.00 0.00 240 I 8.47 4.06 1.95 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 1.17 0.68 0.93 0.00 0.00 241 G 7.44 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 0.00 242 E 8.79 5.33 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 243 F 8.32 5.22 0.00 3.16 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 0.00 244 K 8.70 4.81 0.00 1.58 1.61 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.65 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.17 1.33 7.81 245 V 8.74 4.28 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 1.10 0.00 0.00 0.89 0.00 0.00 246 P 0.00 4.54 0.00 2.22 1.96 0.00 3.66 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 2.11 2.09 0.00 247 M 8.95 4.14 0.00 2.20 2.35 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 2.70 2.66 0.00 248 N 8.20 4.75 0.00 2.85 3.18 0.00 0.00 5.82 7.71 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 0.00 249 T 7.64 4.56 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 1.24 0.00 0.00 250 V 7.47 3.76 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.88 0.00 0.00 251 D 8.29 4.69 0.00 2.82 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 0.00 252 F 8.95 4.55 0.00 3.23 3.41 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 0.00 253 G 8.49 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 0.00 254 H 7.67 4.89 0.00 3.18 3.14 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 255 V 7.92 3.88 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 0.79 0.00 0.00 0.88 0.00 0.00 256 T 8.81 4.58 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 1.15 0.00 0.00 257 E 8.37 4.84 0.00 1.78 1.66 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 1.99 2.19 0.00 258 E 8.17 4.65 0.00 2.03 1.88 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 1.83 2.14 0.00 259 W 8.68 5.13 0.00 3.16 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 0.00 260 R 9.02 4.54 0.00 0.67 0.67 0.00 3.15 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.00 261 D 8.63 4.86 0.00 2.52 2.61 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 0.00 262 L 8.89 4.35 0.00 1.57 1.67 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 263 Q 9.04 4.74 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 264 S 8.63 4.39 0.00 3.75 3.80 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 0.00 265 A 8.78 4.05 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 * Residues marked with a * may have inaccurate shift predictions.