NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.2948 8.3193 117.0976 56.9791 63.7202 173.2170 4 P 4.1382 0.0000 0.0000 59.9315 30.3646 174.5786 5 S 4.7711 8.8471 117.7292 58.9714 65.9613 174.7365 6 K 3.8161 7.5949 117.9695 55.8829 35.6191 173.8537 7 A 5.2756 8.1259 121.7646 50.1269 22.4959 175.4598 8 V 4.6731 8.7656 119.8191 61.1823 34.9421 174.2502 9 I 4.8203 8.7221 129.3604 59.8936 38.6378 175.2269 10 V 4.1189 8.6308 128.1603 60.2770 33.4092 173.6203 11 P 4.5506 0.0000 0.0000 61.9061 32.8099 175.6481 12 G 4.2276 8.4362 108.2620 45.2297 0.0000 173.2114 13 N 5.0099 8.6018 117.6177 52.8409 38.0200 173.6570 14 G 4.1688 9.0518 105.5397 43.4348 0.0000 175.2458 15 G 3.5857 8.5231 110.4218 46.0587 0.0000 174.4833 16 G 3.5879 7.2529 109.8297 45.4327 0.0000 173.1221 17 D 4.5988 8.7415 124.2708 53.8609 41.7985 177.0761 18 V 3.7893 9.1501 127.7936 65.1091 31.2839 177.8054 19 T 4.1378 8.0641 109.4949 63.5895 68.7684 174.9054 20 T 4.6171 7.9269 109.1515 61.0116 69.7511 172.7769 21 H 4.7625 8.1605 122.3706 55.3749 32.7190 174.6874 22 G 3.3697 7.9130 113.4569 46.4704 0.0000 174.6884 23 W 5.0888 6.8259 117.2565 55.8505 29.3646 177.7655 24 Y 4.5125 6.4359 118.6554 61.5905 37.2804 178.7869 25 G 3.7058 8.2345 105.8799 47.5835 0.0000 175.2939 26 W 4.1808 8.3999 130.6807 60.1690 30.7938 178.0046 27 V 3.7099 8.5593 118.2357 65.9086 31.0695 177.7178 28 K 3.9386 8.5006 119.5780 59.6948 31.8104 178.8585 29 K 3.9585 7.9160 117.2670 59.4466 32.2515 178.9476 30 E 3.8228 7.9881 118.9500 59.3037 29.4331 179.4496 31 L 4.1324 8.3222 119.3843 57.5215 41.5002 178.6899 32 E 4.3092 7.9580 116.3971 57.6302 29.5822 178.3700 33 K 4.2865 7.6598 118.2509 56.9544 32.6139 177.0169 34 I 3.8502 7.2093 121.4631 59.9695 37.2575 173.7246 35 P 4.3172 0.0000 0.0000 64.2767 31.4275 176.6284 36 G 3.8858 8.9878 110.3847 45.7885 0.0000 172.4801 37 F 5.0116 7.9387 120.7680 56.3260 41.9195 174.3733 38 Q 4.5194 6.3412 119.4593 54.3107 33.4477 174.1701 39 C 4.9671 8.2485 120.7364 58.2022 34.3994 172.9029 40 L 4.7195 8.7612 126.6170 53.4391 43.7299 176.0930 41 A 4.7016 8.1976 124.2030 51.2251 21.3925 175.7164 42 K 4.6247 8.3938 120.9479 54.6140 36.3196 177.7702 43 N 4.3650 8.2360 117.8405 52.4577 39.5078 172.7135 *45 P 3.8781 0.0000 0.0000 63.9974 33.0253 175.5715 46 D 4.4127 8.6264 118.0233 54.5813 39.5429 173.1862 47 P 4.6040 0.0000 0.0000 66.0811 32.0874 179.2336 48 I 3.8118 7.9244 118.8048 64.3845 37.2315 177.0615 49 T 4.2613 8.2828 112.9088 62.3967 69.1936 174.3817 50 A 2.5800 7.8153 123.4233 51.5758 16.6521 178.2349 51 R 3.7044 7.8596 118.8566 57.5005 31.9868 176.9135 52 E 3.7689 8.0873 124.2772 59.2872 29.4425 179.2448 53 S 4.2865 7.8635 112.0436 60.2600 63.1956 175.1565 54 I 4.3459 7.3492 122.5135 63.0127 38.1566 177.6281 55 W 4.2601 8.6467 118.7635 59.8012 28.9861 178.3232 56 L 4.4116 7.9718 117.5905 57.5805 41.3833 177.6055 57 P 4.5693 0.0000 0.0000 65.1657 31.1934 178.7885 58 F 4.3533 7.9951 118.7843 58.4378 38.8134 176.4959 *60 E 4.3765 8.6558 120.0602 55.7608 30.9888 177.3965 61 T 4.0636 7.8613 106.5729 62.8468 69.7306 175.4650 62 E 3.8717 7.7300 120.3908 56.7231 30.0041 176.7021 63 L 4.2379 7.2142 115.4006 53.7584 42.9195 175.4883 64 H 4.2610 7.4970 114.1716 55.5477 26.2373 175.3170 65 C 4.3048 7.8870 116.1170 59.7704 28.6397 173.0042 66 D 4.9775 8.7712 125.9595 51.9301 41.7397 175.5806 67 E 4.3000 8.9370 115.2633 58.6249 29.9124 177.7645 68 K 4.7101 9.0263 119.7411 56.4078 32.7407 174.9114 69 T 5.1041 7.9783 116.2704 61.9513 71.4032 173.5822 70 I 4.8080 8.6926 126.6454 60.0551 39.2336 174.6913 71 I 4.6208 8.8674 129.6859 60.1457 38.8937 175.1401 72 I 4.8145 9.0923 129.5072 59.9200 38.7304 174.7246 73 G 4.4553 9.0694 115.5443 44.5370 0.0000 170.5864 74 H 5.5781 9.2120 125.1508 55.4352 32.4638 174.9639 75 S 4.4045 9.6844 121.7566 58.4001 62.9594 174.3054 76 S 4.3071 9.5455 115.5187 61.6985 62.6132 175.3964 77 G 3.8918 8.7660 108.2870 47.5201 0.0000 175.7618 78 A 4.0986 7.7797 122.0382 55.0491 18.6187 179.2606 79 I 3.5481 7.5787 117.1953 64.3139 37.3193 178.1621 80 A 4.0970 8.0573 121.7166 54.9247 18.1980 180.4635 81 A 4.2777 7.9646 116.8222 52.9546 18.3507 179.5603 *83 R 4.3438 7.9994 122.0986 58.0650 32.0177 177.5530 84 Y 4.0213 8.6335 118.9142 60.6517 38.7622 177.6639 85 A 4.5901 8.3745 120.7208 53.3810 18.6245 179.0018 86 E 4.1923 8.0729 115.7911 58.3925 29.6408 177.7135 87 T 4.5186 7.6808 104.8858 61.0404 69.5894 173.3640 88 H 4.8173 7.6290 119.1822 53.9960 32.2296 172.6444 89 R 4.6295 8.5077 122.4841 55.7560 30.7060 176.2622 90 V 4.8560 8.4032 120.8417 60.2133 34.5090 175.8217 91 Y 4.3089 8.5026 121.4047 60.6396 39.5651 175.4763 92 A 5.2080 8.1074 118.8893 50.9130 23.5533 174.8939 93 I 5.0221 8.7395 112.9023 59.1147 41.0820 174.4113 94 V 4.7810 9.2911 126.6615 61.2550 33.6165 174.0429 95 L 5.0617 9.3214 129.4300 53.3974 43.5730 175.7811 96 V 4.4937 8.9604 124.9693 61.2678 33.6245 175.4079 97 S 3.8454 8.8560 125.8127 59.5547 60.1728 171.3023 98 A 4.8141 7.6748 122.8367 51.6593 20.5772 176.2931 99 Y 4.8625 7.4845 116.2781 56.7064 40.3418 173.9736 100 T 4.8019 9.3824 107.4635 61.1230 70.3010 173.2740 101 S 4.8788 8.3787 115.1322 55.9834 65.9325 173.2578 102 D 3.6617 8.2052 116.7730 52.9180 39.1146 176.6328 103 L 3.5734 8.4369 118.0619 55.6774 39.7469 175.0210 104 G 3.8814 8.7519 104.1845 46.4820 0.0000 173.8478 105 D 4.8024 8.0061 119.6777 52.2452 43.2397 176.7209 106 E 3.9172 8.7276 127.1274 59.5373 29.5562 178.4863 107 N 4.3470 8.5890 117.1081 56.4561 38.9731 176.8840 108 E 4.2547 8.4092 119.7218 59.4997 29.7363 178.9571 109 R 4.0553 8.3726 118.7504 59.5237 29.9384 178.3052 110 A 4.1144 8.1221 119.4680 54.5997 18.5005 179.3331 111 S 3.9522 8.0177 113.3528 59.3876 62.9036 176.2611 112 G 3.8445 7.8601 109.2188 45.3554 0.0000 173.9493 113 Y 4.0236 7.0891 117.0512 59.9723 37.7836 176.7960 114 F 4.7294 7.6328 117.0340 57.3561 39.4279 176.7165 115 T 4.0706 7.7824 110.0003 62.6819 68.8796 173.8502 116 R 4.4877 6.9348 117.1581 54.3194 32.4301 172.8486 117 P 4.3302 0.0000 0.0000 62.2175 31.8835 176.2793 118 W 3.8140 8.1294 120.1327 56.4385 30.1838 177.9561 119 Q 4.3193 8.6510 124.3931 53.9285 27.0290 176.1537 120 W 4.6173 7.9898 122.7326 60.2756 29.6961 177.9004 121 E 4.0522 8.4441 117.5933 59.3430 28.9235 179.4810 122 K 4.0548 8.0889 118.1569 59.3843 32.3001 179.3102 123 I 4.0167 7.7291 121.1346 63.9070 36.8913 178.3879 124 K 3.9473 8.2289 119.0344 59.4937 32.0088 178.2703 125 A 4.2338 7.9343 120.3020 54.7092 18.7493 178.6898 126 N 4.8228 8.3468 113.8877 53.6278 38.6866 174.3022 127 C 5.0276 7.9560 118.9627 55.3522 33.2883 171.5260 128 P 4.1228 0.0000 0.0000 64.8821 31.3008 176.0582 129 Y 4.6673 7.4771 117.0392 55.9236 40.5939 175.2149 130 I 4.9899 8.4619 125.0396 59.6666 40.4985 174.6132 131 V 4.7918 8.7037 127.5219 61.1572 34.4070 174.2721 132 Q 5.0867 8.8591 126.4670 54.4671 32.8136 173.4312 133 F 5.3311 9.8374 125.1056 55.8639 42.0731 174.6599 134 G 5.0243 9.3035 108.6030 45.4719 0.0000 171.7070 135 S 5.6488 9.2649 116.4766 56.3320 65.5342 175.0708 136 T 4.0268 8.9332 117.0582 63.7058 68.9596 175.1602 137 D 4.8782 7.8944 121.5243 52.8680 39.6453 175.0685 138 D 4.6569 8.0735 120.7401 54.3712 41.1966 175.3484 139 P 4.2173 0.0000 0.0000 64.7840 31.8412 177.1998 140 F 4.3810 8.9022 117.7116 58.2868 39.5879 176.0180 141 L 4.8296 7.5403 119.0010 51.8774 44.5569 174.2469 142 P 4.6207 0.0000 0.0000 61.7791 32.6164 176.9798 143 W 4.2575 9.1117 131.3690 60.4926 30.4879 177.6764 144 K 3.7663 8.3101 119.1382 59.9317 31.5676 178.2881 145 E 4.0177 8.1445 118.3658 59.3109 29.4433 179.2997 146 Q 3.9408 7.5032 117.7858 58.7245 28.6709 178.2778 147 Q 3.5709 7.5623 121.0353 58.6788 28.9722 177.7183 148 E 3.6850 7.8737 120.5129 59.0991 29.6329 179.0137 149 V 3.1948 7.4122 117.5068 65.7778 31.5497 177.7681 150 A 4.1636 7.4891 121.6674 54.6592 18.1913 179.4610 151 D 4.0935 8.1699 117.6167 57.6601 40.7556 179.3612 152 R 3.5675 7.5687 117.3431 58.2160 29.8838 177.5180 153 L 4.3618 7.5820 115.0483 53.6653 42.4957 175.8750 154 E 3.6941 7.3271 116.6963 57.3757 27.5543 174.8105 155 T 4.2825 7.3770 107.5789 61.6290 71.1799 175.3006 156 K 4.4648 8.7614 122.9008 55.3617 32.5182 175.5201 157 L 4.5261 8.2570 127.6322 54.7985 43.3604 176.0436 158 H 4.3727 9.3068 124.2628 53.8076 29.8648 171.8921 159 K 4.8501 7.9650 123.8851 54.9927 33.4361 175.1835 160 F 5.2888 9.2589 125.7233 56.0265 42.8574 175.5855 161 T 4.8306 9.0406 106.2817 60.4757 69.7635 174.1547 162 D 5.2064 7.8531 119.1881 52.6131 40.3919 175.4710 163 C 4.0928 8.3471 116.2364 59.0841 29.4806 175.1087 164 G 3.6677 7.8938 109.9779 47.5502 0.0000 173.8202 165 H 5.2680 9.0206 122.5358 54.7350 30.1674 174.9903 166 F 3.6039 7.6937 114.1050 58.6965 36.1337 175.4299 167 Q 4.6269 7.7434 113.2019 55.7302 29.7574 176.3072 168 N 4.6982 7.9765 116.8426 52.7818 40.0932 174.6939 169 T 4.6710 8.0128 106.2656 61.5094 69.7623 174.0462 170 E 3.9910 7.3535 120.1573 54.7689 33.6286 175.8806 171 F 4.8774 6.9192 119.5812 56.4674 40.8201 173.7435 172 H 4.4849 8.3390 124.9347 59.5479 30.1588 175.8370 173 E 4.0564 8.4243 119.6694 59.3797 29.3095 179.0009 174 L 3.3712 6.9303 119.9639 57.7026 41.7660 179.0887 175 I 3.6467 7.3848 119.3834 64.5953 37.1130 178.2507 176 T 3.7931 7.7040 116.5133 66.5499 68.2400 176.8047 177 V 3.5596 7.7262 120.0530 66.0556 31.7367 178.2522 178 V 3.5708 7.7998 117.9400 66.0044 31.1111 178.1713 179 K 3.8799 8.0262 117.7442 59.2188 32.1662 179.2081 180 S 4.2246 8.0828 114.8125 61.3707 62.9476 176.6095 181 L 3.8488 7.8209 122.5336 57.2559 41.1110 179.1476 182 L 4.0683 7.5878 119.9137 57.1466 41.6192 179.1022 183 K 4.2339 7.5367 121.5247 55.3836 33.3394 181.7856 184 V 3.5416 7.6191 116.7827 62.5929 29.5876 170.2231 185 P 4.4499 0.0000 0.0000 61.6659 32.3702 177.1052 186 A 4.1617 8.3488 122.4643 52.1871 18.8807 177.7455 187 L 4.0664 8.4430 124.5341 55.2373 42.4355 177.5623 188 E 4.3585 8.1431 118.0746 54.6043 31.1395 174.7984 189 H 4.3358 8.5655 118.8139 57.1516 29.7708 174.0016 190 H 5.1154 8.2709 124.3831 54.0935 31.8236 172.5049 191 H 4.6671 9.1756 117.1052 54.8296 30.7675 172.9020 192 H 4.9414 8.7815 121.8813 54.3305 30.2713 173.9441 193 H 5.1055 9.2521 123.0379 54.6606 32.6659 174.0235 *194 H 4.4887 8.7221 115.7956 55.0181 27.9262 174.5553 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 3 S 8.32 4.29 0.00 3.65 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.14 0.00 2.15 1.16 0.00 3.31 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.43 0.00 5 S 8.85 4.77 0.00 3.83 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 6 K 7.59 3.82 0.00 1.56 1.63 0.00 1.32 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.31 7.81 7 A 8.13 5.28 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 8 V 8.77 4.67 2.03 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 0.89 0.00 0.00 0.91 0.00 0.00 9 I 8.72 4.82 1.81 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.80 0.72 0.00 0.00 10 V 8.63 4.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.82 0.00 0.00 11 P 0.00 4.55 0.00 1.79 0.92 0.00 3.32 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 12 G 8.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.60 5.01 0.00 3.05 2.80 0.00 0.00 6.05 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 9.05 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 0.00 0.00 0.00 0.00 15 G 8.52 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 16 G 7.25 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 17 D 8.74 4.60 0.00 2.71 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 18 V 9.15 3.79 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 0.77 0.00 0.00 0.66 0.00 0.00 19 T 8.06 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 1.26 0.00 0.00 20 T 7.93 4.62 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 1.25 0.00 0.00 21 H 8.16 4.76 0.00 3.28 3.29 0.00 5.82 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.91 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 23 W 6.83 5.09 0.00 3.65 3.27 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 24 Y 6.44 4.51 0.00 3.03 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.23 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 26 W 8.40 4.18 0.00 3.54 3.54 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 27 V 8.56 3.71 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.48 0.00 0.00 28 K 8.50 3.94 0.00 2.00 2.05 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 29 K 7.92 3.96 0.00 1.77 1.73 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.63 7.81 30 E 7.99 3.82 0.00 1.70 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 1.47 1.47 0.00 31 L 8.32 4.13 0.00 1.88 2.02 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.96 4.31 0.00 2.07 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 0.00 2.32 2.59 0.00 33 K 7.66 4.29 0.00 1.87 1.82 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.63 7.81 34 I 7.21 3.85 2.05 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.75 0.00 0.00 35 P 0.00 4.32 0.00 2.03 2.02 0.00 3.73 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 2.02 2.09 0.00 36 G 8.99 3.89 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 0.00 37 F 7.94 5.01 0.00 2.86 3.03 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 38 Q 6.34 4.52 0.00 1.58 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.52 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 39 C 8.25 4.97 0.00 2.90 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 40 L 8.76 4.72 0.00 1.55 1.48 0.89 0.65 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 41 A 8.20 4.70 1.16 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 0.00 0.00 42 K 8.39 4.62 0.00 1.84 1.75 0.00 1.72 0.00 0.00 1.75 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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 0.00 121 E 8.44 4.05 0.00 2.06 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 2.53 2.57 0.00 122 K 8.09 4.05 0.00 2.00 2.01 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.55 7.81 123 I 7.73 4.02 2.18 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 1.48 1.81 1.00 0.00 0.00 124 K 8.23 3.95 0.00 1.91 1.98 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.40 7.81 125 A 7.93 4.23 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 0.00 126 N 8.35 4.82 0.00 2.98 3.07 0.00 0.00 6.31 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 0.00 127 C 7.96 5.03 0.00 2.97 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 0.00 128 P 0.00 4.12 0.00 1.49 1.93 0.00 3.99 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 129 Y 7.48 4.67 0.00 2.64 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 8.46 4.99 1.89 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 1.27 0.76 0.94 0.00 0.00 131 V 8.70 4.79 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 0.82 0.00 0.00 0.96 0.00 0.00 132 Q 8.86 5.09 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 133 F 9.84 5.33 0.00 2.75 2.59 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 0.00 134 G 9.30 5.02 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 0.00 0.00 0.00 135 S 9.26 5.65 0.00 3.91 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 0.00 136 T 8.93 4.03 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 0.30 0.00 0.00 137 D 7.89 4.88 0.00 2.83 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 0.00 138 D 8.07 4.66 0.00 3.12 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.22 0.00 2.02 2.13 0.00 4.04 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.06 0.00 140 F 8.90 4.38 0.00 2.93 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 0.00 141 L 7.54 4.83 0.00 1.60 1.59 1.20 0.44 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 0.00 142 P 0.00 4.62 0.00 2.27 2.21 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 143 W 9.11 4.26 0.00 3.54 3.23 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 0.00 144 K 8.31 3.77 0.00 1.94 1.82 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.63 7.81 145 E 8.14 4.02 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 146 Q 7.50 3.94 0.00 0.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.74 2.36 0.00 147 Q 7.56 3.57 0.00 1.58 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 148 E 7.87 3.68 0.00 2.09 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 2.05 2.14 0.00 149 V 7.41 3.19 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 0.89 0.00 0.00 0.93 0.00 0.00 150 A 7.49 4.16 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 0.00 151 D 8.17 4.09 0.00 2.42 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 0.00 152 R 7.57 3.57 0.00 0.67 0.66 0.00 2.88 0.00 0.00 2.87 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 153 L 7.58 4.36 0.00 1.72 1.68 1.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.33 3.69 0.00 1.77 1.56 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 2.11 2.05 0.00 155 T 7.38 4.28 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 1.21 0.00 0.00 156 K 8.76 4.46 0.00 1.74 1.80 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.42 7.81 157 L 8.26 4.53 0.00 1.61 1.53 1.08 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 158 H 9.31 4.37 0.00 2.21 2.75 0.00 5.65 0.00 0.00 0.00 0.00 6.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 7.96 4.85 0.00 1.80 1.56 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 0.99 7.81 160 F 9.26 5.29 0.00 3.09 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 0.00 161 T 9.04 4.83 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 1.14 0.00 0.00 162 D 7.85 5.21 0.00 2.66 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 0.00 163 C 8.35 4.09 0.00 2.11 1.53 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 0.00 164 G 7.89 3.67 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 0.00 165 H 9.02 5.27 0.00 3.39 3.41 0.00 5.90 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 F 7.69 3.60 0.00 3.39 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 0.00 167 Q 7.74 4.63 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.65 0.00 168 N 7.98 4.70 0.00 2.53 2.64 0.00 0.00 7.03 7.54 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 0.00 169 T 8.01 4.67 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 170 E 7.35 3.99 0.00 1.29 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 1.47 1.68 0.00 171 F 6.92 4.88 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 4.48 0.00 3.44 3.40 0.00 5.93 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 E 8.42 4.06 0.00 2.41 2.42 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 2.76 2.63 0.00 174 L 6.93 3.37 0.00 0.27 0.66 0.52 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 175 I 7.38 3.65 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 1.98 0.75 0.85 0.00 0.00 176 T 7.70 3.79 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 0.00 177 V 7.73 3.56 2.29 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 1.02 0.00 0.00 1.00 0.00 0.00 178 V 7.80 3.57 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 0.89 0.00 0.00 1.00 0.00 0.00 179 K 8.03 3.88 0.00 1.82 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.49 7.81 180 S 8.08 4.22 0.00 4.03 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 0.00 181 L 7.82 3.85 0.00 1.89 1.83 0.96 0.35 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 0.00 182 L 7.59 4.07 0.00 1.62 1.52 0.14 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 183 K 7.54 4.23 0.00 1.87 1.70 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.30 7.81 184 V 7.62 3.54 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 1.20 0.00 0.00 1.00 0.00 0.00 185 P 0.00 4.45 0.00 2.28 2.04 0.00 3.41 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 186 A 8.35 4.16 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 0.00 187 L 8.44 4.07 0.00 1.57 1.46 0.77 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 188 E 8.14 4.36 0.00 1.98 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 2.18 1.85 0.00 189 H 8.57 4.34 0.00 3.03 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 H 8.27 5.12 0.00 3.04 3.21 0.00 5.71 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 H 9.18 4.67 0.00 2.90 3.07 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 H 8.78 4.94 0.00 3.06 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 H 9.25 5.11 0.00 3.10 3.17 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *194 H 8.72 4.49 0.00 2.93 2.83 0.00 7.23 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 * Residues marked with a * may have inaccurate shift predictions.