NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2836 8.1749 110.9391 61.6125 70.0959 172.7741 3 T 4.3581 8.0651 118.7391 60.5293 69.2991 173.0035 4 P 4.3054 0.0000 0.0000 63.0702 33.0550 176.3704 5 R 4.4803 9.0685 121.5813 55.0849 30.2568 175.5134 6 R 5.1878 8.4228 122.0842 55.1002 31.9372 175.6620 7 A 5.0730 8.8983 123.2179 50.1516 22.6529 174.7094 8 L 4.7865 8.9499 123.7232 53.6024 44.1446 174.9468 9 I 4.7501 8.6432 126.9430 59.1241 40.9805 174.2611 10 V 4.4995 8.6113 129.2870 60.3752 33.5796 173.8755 11 I 4.3003 8.3919 130.2563 59.9016 38.5591 176.3024 12 D 4.6867 8.2026 129.0500 55.4633 39.0169 176.0785 13 V 4.2343 7.4010 118.7394 61.5079 30.5694 174.0366 14 Q 5.2765 8.2123 122.4258 53.1568 32.1622 176.6306 15 N 4.4407 8.9065 117.6670 56.2882 39.0786 177.2247 16 E 3.6133 8.2516 119.4252 59.3726 29.6911 178.1483 17 Y 5.1306 7.8755 114.2559 58.7216 38.1395 175.8195 18 V 4.1054 7.8218 117.1070 63.7517 33.6497 176.1740 19 T 4.4370 7.8197 107.6468 61.3337 70.2871 175.0317 20 G 3.9554 7.6001 113.0228 45.3979 0.0000 173.9649 21 D 4.7146 8.7104 126.3729 53.8859 41.8852 177.9268 22 L 4.7602 7.6034 117.9958 52.4540 41.7860 173.9039 23 P 4.8201 0.0000 0.0000 62.0599 32.4475 177.3001 24 I 3.8389 8.2292 124.8723 61.7806 37.3885 175.5678 25 E 4.6909 8.8174 123.2845 56.8611 32.2667 175.9218 26 Y 4.6716 7.5942 119.7162 55.4476 42.3156 172.6138 27 P 3.7097 0.0000 0.0000 61.6221 32.8389 175.4484 28 D 4.3171 8.5752 119.7386 55.0334 41.4815 177.8672 29 V 3.7299 8.2978 127.5780 64.4041 31.4805 178.5584 30 Q 3.9520 8.0836 118.4179 58.5635 28.5941 178.1118 31 S 4.0617 8.3868 114.5273 61.6145 62.2941 176.5649 32 S 4.6486 7.8675 117.9330 60.9187 62.6763 176.2104 33 L 4.0238 8.2155 122.5066 57.5642 41.3403 179.3793 34 A 3.9690 8.0704 120.6040 55.2856 18.2244 179.4990 35 N 4.3035 8.2610 114.9995 56.1900 38.3482 177.7429 36 I 3.5040 7.8066 120.8157 64.1467 37.2455 177.7745 37 A 4.1380 7.8879 120.4846 55.3857 18.4325 179.5128 38 R 4.0867 8.1170 116.1402 59.2852 30.1349 180.0568 39 A 4.4000 8.0699 117.6816 53.1068 18.2376 178.8060 *41 D 4.6004 8.1395 122.4740 55.8712 43.3068 178.1139 42 A 4.0083 8.5750 120.9855 54.9270 18.3336 179.4180 43 A 4.0474 8.7416 119.7720 55.3941 18.5493 179.6367 44 R 3.8617 8.1534 116.3990 59.8217 29.9354 178.4107 45 A 4.0396 8.0060 118.6567 54.7086 18.4549 178.5825 46 A 4.3116 7.8902 116.7440 51.8181 19.0041 178.0015 47 G 3.8261 7.7002 104.6723 45.9506 0.0000 173.6940 48 V 4.1237 7.7795 120.1909 61.1725 32.1296 174.3743 49 P 4.8277 0.0000 0.0000 63.0698 32.9272 175.0707 50 V 4.7905 9.2351 122.1137 61.2341 34.1618 174.1447 51 V 4.5969 8.8432 128.4315 61.1508 33.8850 174.0813 52 I 4.7644 8.4443 128.8318 59.6401 39.6413 174.7191 53 V 4.4560 8.3677 125.9176 60.9174 34.5101 173.9086 54 Q 4.8159 8.4072 127.9548 54.1823 32.1594 173.0533 55 N 5.1786 8.8842 125.3321 51.9066 40.3866 173.8241 56 F 5.3400 8.8667 124.1058 55.7466 42.4912 174.3301 57 A 4.9288 8.9504 123.4933 49.1987 22.6412 174.1076 58 P 4.7207 0.0000 0.0000 62.1349 32.7435 176.4062 59 A 4.3040 8.0125 124.0434 53.5404 18.4831 178.4922 60 G 3.9869 8.9153 110.3987 45.3467 0.0000 174.0786 61 S 4.3933 7.7207 115.5865 57.5458 63.3842 172.8462 62 P 4.3992 0.0000 0.0000 64.9448 30.4455 176.8044 63 L 4.5876 7.2062 117.7184 53.8275 45.2215 176.1940 64 F 3.9310 8.7999 119.6243 58.2139 37.3632 174.9359 65 A 4.6477 7.3401 124.4612 51.7392 18.3249 178.2145 66 R 4.2340 8.7022 123.7076 58.2272 30.4470 177.5436 67 G 3.9980 9.1926 113.7187 45.1119 0.0000 173.3011 68 S 4.6891 7.5491 113.6511 56.5138 65.2173 173.9487 69 N 4.4155 8.7668 120.0192 56.7299 39.0959 177.2353 70 G 3.5371 8.1913 106.5652 48.4393 0.0000 175.0072 71 A 4.1296 7.6316 121.8209 54.0974 18.9638 177.8993 72 E 4.2282 7.8732 115.9579 55.9298 30.1172 176.6386 73 L 4.4544 8.3387 122.2883 54.8507 42.4775 176.8518 74 H 4.5272 9.0393 122.6503 55.0228 30.6191 174.4914 75 P 4.4781 0.0000 0.0000 64.8360 30.7866 178.7630 76 V 3.5875 8.0812 116.1406 65.9850 31.6627 177.1810 77 V 4.0915 7.6742 116.3091 64.6864 32.2682 177.7536 78 S 4.2387 8.4798 114.3264 60.8869 62.7303 175.3710 79 E 4.3724 7.9801 119.7455 55.9746 29.7600 176.3945 80 R 4.5092 6.9782 117.6816 53.9321 32.1241 176.0973 81 A 4.2184 8.2439 122.6743 52.7944 18.9462 177.2553 82 R 4.7288 8.0026 114.9984 55.0961 32.2959 174.7090 83 D 4.7917 8.7744 119.2346 56.4440 41.9499 176.1327 84 H 4.5796 7.5308 115.8934 55.1414 33.0947 171.6598 85 Y 5.0160 7.7263 123.1260 55.9368 41.9314 174.4907 86 V 4.3913 7.8329 117.9644 59.3144 36.3795 174.0494 87 E 5.0669 8.4448 120.1980 54.8273 31.6345 175.1032 88 K 4.8964 8.9225 120.6920 55.4504 36.5311 176.5786 89 S 4.7515 8.7748 111.8761 57.5276 64.2572 173.1070 90 L 4.7906 7.4798 119.8684 52.0802 44.6910 174.6178 91 P 4.2888 0.0000 0.0000 65.7255 31.1974 177.8188 92 S 4.2272 7.9480 112.9659 58.0314 62.7547 174.2708 93 A 4.1828 8.6711 130.3123 53.6596 18.5100 178.3720 94 F 4.3014 8.2985 115.4393 59.7899 39.4730 176.2059 95 T 4.1223 7.6500 116.7962 64.1488 68.5582 174.6574 96 G 3.9237 9.0710 114.4882 46.3785 0.0000 172.4669 97 T 4.7101 7.5034 108.7552 59.0662 72.0438 173.4546 98 D 4.8451 8.4374 118.5140 53.5161 39.5566 177.8053 99 L 3.9329 7.8857 123.9155 58.7961 42.0575 178.9397 100 A 4.4317 8.3574 120.3671 55.1974 18.4289 179.6559 101 G 3.6346 8.2051 103.8583 47.7316 0.0000 175.6259 102 W 4.0385 8.7068 131.2682 60.1286 30.7273 178.1789 103 L 4.0474 8.5506 118.9796 57.7405 41.0875 179.3372 104 A 3.9926 8.2921 120.5951 55.0930 18.0928 179.5814 105 A 3.9514 7.8615 118.3341 54.4814 18.4215 179.0139 106 R 4.1101 7.0016 114.2783 54.9113 30.5550 176.2013 107 Q 3.4602 7.7816 116.5363 56.7739 26.8976 174.1162 108 I 4.1020 7.8124 118.5383 61.4580 37.8140 175.9875 109 D 4.9960 8.9375 123.6131 53.5301 41.7933 175.9016 110 T 5.1326 7.8137 116.2505 61.8288 72.8120 172.1919 111 L 5.1146 9.2076 129.2359 53.7828 44.3322 174.9928 112 T 4.7820 8.9187 124.3607 62.2779 70.3104 173.8620 113 V 4.5696 8.7725 127.9113 61.4202 33.5382 174.7531 114 T 4.4021 8.5729 116.8944 60.4570 73.0571 173.7548 115 G 3.1781 8.6353 107.3614 43.9354 0.0000 171.2920 116 Y 4.7460 7.7010 117.0445 56.5589 40.9737 175.3513 *118 T 4.7511 8.8346 120.7031 63.7779 70.3554 175.1895 119 H 3.1665 7.4306 112.3700 54.9657 29.2139 174.6796 120 N 4.6874 7.2467 116.9427 53.7654 40.9402 175.4123 *122 D 4.4886 8.1520 116.7737 54.4147 42.9600 177.4013 123 A 3.9381 7.6669 120.0688 55.3450 18.2684 179.8834 124 S 4.0062 8.2218 113.6844 61.9210 62.8267 177.0169 125 T 4.1137 7.8801 117.9492 66.8318 68.2160 176.5909 126 I 3.8172 8.0014 121.7539 64.4031 37.2157 178.0530 127 N 4.3514 8.4510 118.2327 56.8746 38.8657 176.6152 128 H 4.1668 8.2442 117.4153 58.7999 28.9168 177.5012 129 A 3.6993 8.1206 122.4899 55.1588 18.2499 179.7303 130 V 3.8259 7.9180 118.0672 66.0812 31.4403 177.8920 131 H 4.3709 8.0784 113.8840 57.8096 28.6524 176.9791 132 S 4.4210 7.5925 114.4953 58.6046 63.4163 174.9163 133 G 4.0305 7.7631 110.7228 44.8936 0.0000 173.8218 134 L 4.3853 7.8752 119.8149 54.3483 43.1020 176.3262 135 A 4.5108 8.8154 124.1104 51.7323 20.1956 176.7193 136 V 5.0165 8.3761 119.4786 61.1976 35.4450 174.0561 137 E 5.3476 9.3512 125.9096 54.6044 33.5591 174.7533 138 F 5.0918 9.2052 124.3311 56.5851 43.0561 173.4435 139 L 4.7601 7.7912 127.1618 53.4775 41.8455 177.4642 140 H 4.2329 8.7648 121.2182 57.2642 29.1584 176.0270 141 D 4.7281 7.7508 118.6587 53.0032 39.6039 176.2359 142 A 4.7986 7.8163 120.6099 51.9808 20.6892 176.0995 143 T 4.9294 7.1445 108.0113 61.8637 72.1510 172.4357 144 G 4.0351 7.3083 108.7985 46.9995 0.0000 171.5431 145 S 5.0017 8.4995 115.6390 56.8873 67.7271 173.5118 146 V 4.8695 7.8736 112.6855 58.8789 35.2619 174.1627 147 P 4.5688 0.0000 0.0000 62.9649 32.6191 175.0902 148 Y 5.2729 8.6540 117.9940 56.4847 42.3214 174.1460 149 E 5.3738 8.9462 122.8851 54.9680 32.9857 174.1128 150 N 4.9374 9.1466 123.6758 51.9716 40.0839 174.8121 151 S 4.1426 8.6752 111.4438 61.2293 63.0385 174.8662 152 A 4.1719 8.2366 122.7309 52.6119 19.0219 176.7432 153 G 3.8016 6.8260 102.2579 43.9127 0.0000 172.0754 154 F 5.5222 8.5102 121.8386 56.6235 42.2347 175.9693 155 A 4.3313 7.6572 125.3705 50.2620 22.9314 176.2819 156 S 4.3921 8.5353 116.9390 57.6257 64.4763 175.4225 157 A 3.9824 8.6101 122.1214 55.2361 17.9940 179.4913 158 E 3.4598 8.0198 117.2522 59.3586 29.5824 178.7802 159 E 3.9051 7.9923 118.4621 59.4060 29.4622 179.4485 160 I 3.7651 7.7703 119.7516 64.7531 37.1188 178.0669 161 H 4.2796 8.5644 119.2940 59.1781 29.6488 177.3066 162 R 3.9330 8.4174 120.7707 59.4274 29.9364 178.5362 163 V 3.5536 8.0659 118.2902 66.2622 31.4914 178.0623 164 F 3.7753 8.5942 117.5321 60.3585 38.6826 177.9220 165 S 4.0325 8.4441 115.2645 61.5361 62.7617 176.9372 166 V 3.5770 8.1013 121.2450 66.0580 30.9304 178.2762 167 V 3.6200 8.0834 118.4190 65.8812 31.2889 177.9985 168 L 4.0953 8.3083 119.3118 57.9185 41.5273 179.2811 169 Q 4.3281 8.4784 121.0608 58.5051 29.0630 178.2511 170 S 4.3016 8.0493 114.8048 60.9382 62.8017 174.6958 171 R 4.3840 7.4217 119.8866 56.7515 36.9919 175.2290 172 F 4.5432 8.3524 115.0563 58.2457 39.9811 175.3416 173 A 4.9977 7.5614 119.6488 50.3079 23.1402 175.3137 174 A 4.7298 8.9822 122.0148 51.4406 19.5796 176.9301 175 V 4.8117 9.3431 123.5925 62.5241 32.6391 175.1663 176 A 5.0547 8.8769 128.6211 50.5305 23.4213 175.4782 177 S 4.3772 9.2890 114.2540 57.7767 64.3716 175.7965 178 T 3.9016 8.9254 118.2896 67.0521 68.1014 176.6419 179 D 4.4046 8.1175 120.1442 57.5558 40.9132 178.6074 180 E 4.0189 8.3256 119.0202 59.0229 29.3388 179.2954 181 W 4.0551 8.4919 128.5034 60.4979 30.7877 177.9550 182 I 3.3510 8.2670 119.9303 64.4125 36.5211 178.2227 183 A 3.8914 8.0846 121.1376 55.0988 18.1115 179.5775 184 A 3.9289 7.8720 120.6243 54.5485 18.2923 180.1255 185 V 3.1902 7.4542 117.0322 66.1653 31.3147 178.3857 186 Q 4.0306 7.8697 116.7909 58.4862 28.6443 178.1582 187 G 3.8494 8.1459 104.1570 43.8290 0.0000 173.5736 188 G 3.9737 7.7634 109.4115 46.8726 0.0000 173.4059 189 T 4.5128 7.7713 108.1258 58.4041 71.4492 171.8992 190 P 4.5041 0.0000 0.0000 62.4063 32.5364 175.1488 191 L 4.7345 8.0213 117.6472 52.5069 43.9276 176.5690 192 A 4.2014 8.4464 124.1666 52.3214 19.0096 177.1939 193 R 4.6701 8.4288 121.0591 54.5558 32.8416 176.7048 194 G 4.2181 8.2874 110.3258 45.9180 0.0000 172.1357 195 N 5.6174 8.2151 114.4836 51.1444 40.3452 175.9814 196 I 3.6881 8.5647 121.2852 64.7466 37.2147 178.1045 197 Y 4.3470 8.0155 119.5789 60.8311 38.7574 177.6604 198 A 3.9113 8.6732 121.9595 55.2925 18.3066 179.8355 199 S 4.0822 8.1819 113.6209 61.7550 62.8752 176.4936 200 N 4.3571 8.4827 119.9202 56.7365 38.7447 176.9488 201 Q 3.9927 8.4965 119.9231 58.8906 28.5596 178.7745 202 K 3.9464 7.9671 119.4070 59.3796 32.5557 178.4714 203 A 4.1442 7.8598 121.2698 55.2071 18.3292 179.8829 204 R 3.9426 8.3548 116.3962 59.0221 30.2111 178.9183 205 A 4.1226 7.9126 120.0042 54.6537 18.0570 179.5835 206 R 3.9867 7.7454 115.7880 58.8179 30.0918 178.6109 207 R 3.9266 7.8734 118.1137 56.9267 30.2406 175.9907 208 A 3.7275 7.9107 119.2104 52.9903 16.6808 177.2310 209 T 4.0461 8.1444 121.3216 65.5017 68.4567 174.5994 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 2 T 8.17 4.28 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 3 T 8.07 4.36 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 1.20 0.00 0.00 4 P 0.00 4.31 0.00 2.08 2.04 0.00 3.65 0.00 0.00 3.82 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 5 R 9.07 4.48 0.00 1.77 1.90 0.00 3.11 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 6 R 8.42 5.19 0.00 1.83 2.09 0.00 3.17 0.00 0.00 3.64 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 7 A 8.90 5.07 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 L 8.95 4.79 0.00 1.82 1.57 0.35 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.64 4.75 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.32 0.91 0.00 0.00 10 V 8.61 4.50 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 1.08 0.00 0.00 0.80 0.00 0.00 11 I 8.39 4.30 1.87 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 1.08 0.38 0.80 0.00 0.00 12 D 8.20 4.69 0.00 3.06 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 13 V 7.40 4.23 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 1.16 0.00 0.00 0.65 0.00 0.00 14 Q 8.21 5.28 0.00 2.42 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.66 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 15 N 8.91 4.44 0.00 2.90 2.86 0.00 0.00 6.91 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 16 E 8.25 3.61 0.00 1.47 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 1.73 0.00 17 Y 7.88 5.13 0.00 3.21 2.52 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 18 V 7.82 4.11 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 0.84 0.00 0.00 0.94 0.00 0.00 19 T 7.82 4.44 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 1.22 0.00 0.00 20 G 7.60 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 21 D 8.71 4.71 0.00 2.52 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 22 L 7.60 4.76 0.00 1.57 1.18 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.82 0.00 2.21 2.04 0.00 3.84 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 24 I 8.23 3.84 1.54 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 0.74 0.00 0.00 25 E 8.82 4.69 0.00 1.82 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 2.24 2.40 0.00 26 Y 7.59 4.67 0.00 2.97 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 27 P 0.00 3.71 0.00 1.67 1.55 0.00 3.56 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.17 0.00 28 D 8.58 4.32 0.00 2.74 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 29 V 8.30 3.73 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 0.87 0.00 0.00 0.75 0.00 0.00 30 Q 8.08 3.95 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 31 S 8.39 4.06 0.00 3.96 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 32 S 7.87 4.65 0.00 4.09 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.22 4.02 0.00 1.85 1.73 0.78 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.07 3.97 1.37 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.12 3.70 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 0.00 130 V 7.92 3.83 2.24 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 1.12 0.00 0.00 1.17 0.00 0.00 131 H 8.08 4.37 0.00 3.18 3.37 0.00 5.89 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 S 7.59 4.42 0.00 3.94 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 0.00 133 G 7.76 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 0.00 0.00 0.00 134 L 7.88 4.39 0.00 1.87 1.67 1.09 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.82 4.51 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 0.00 136 V 8.38 5.02 2.38 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 1.17 0.00 0.00 1.03 0.00 0.00 137 E 9.35 5.35 0.00 1.96 1.87 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 2.33 2.33 0.00 138 F 9.21 5.09 0.00 3.10 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 0.00 139 L 7.79 4.76 0.00 1.24 1.31 0.35 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.76 4.23 0.00 3.37 3.62 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 D 7.75 4.73 0.00 2.82 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 0.00 142 A 7.82 4.80 0.99 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 0.00 0.00 143 T 7.14 4.93 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 0.80 0.00 0.00 144 G 7.31 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 0.00 145 S 8.50 5.00 0.00 3.88 3.61 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 0.00 146 V 7.87 4.87 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 0.81 0.00 0.00 0.71 0.00 0.00 147 P 0.00 4.57 0.00 2.25 2.09 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.31 0.00 148 Y 8.65 5.27 0.00 2.79 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 0.00 149 E 8.95 5.37 0.00 2.31 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 2.28 2.47 0.00 150 N 9.15 4.94 0.00 2.89 2.85 0.00 0.00 6.32 8.45 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 0.00 151 S 8.68 4.14 0.00 4.01 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 0.00 152 A 8.24 4.17 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 0.00 153 G 6.83 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 0.00 0.00 0.00 154 F 8.51 5.52 0.00 3.01 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 A 7.66 4.33 1.02 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 0.00 156 S 8.54 4.39 0.00 3.95 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 A 8.61 3.98 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 0.00 158 E 8.02 3.46 0.00 1.53 1.71 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 1.47 1.72 0.00 159 E 7.99 3.91 0.00 2.11 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 2.29 0.00 160 I 7.77 3.77 1.74 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.70 0.00 0.00 161 H 8.56 4.28 0.00 3.45 3.68 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.42 3.93 0.00 1.97 2.02 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 163 V 8.07 3.55 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 0.86 0.00 0.00 0.94 0.00 0.00 164 F 8.59 3.78 0.00 3.25 2.96 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 0.00 165 S 8.44 4.03 0.00 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 0.00 166 V 8.10 3.58 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 0.99 0.00 0.00 1.01 0.00 0.00 167 V 8.08 3.62 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 0.93 0.00 0.00 0.80 0.00 0.00 168 L 8.31 4.10 0.00 1.77 1.65 0.01 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 169 Q 8.48 4.33 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 170 S 8.05 4.30 0.00 4.13 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 0.00 171 R 7.42 4.38 0.00 1.30 1.38 0.00 2.99 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 172 F 8.35 4.54 0.00 3.07 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 0.00 173 A 7.56 5.00 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 0.00 174 A 8.98 4.73 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 0.00 175 V 9.34 4.81 2.32 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 1.04 0.00 0.00 1.15 0.00 0.00 176 A 8.88 5.05 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 0.00 177 S 9.29 4.38 0.00 4.14 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 0.00 178 T 8.93 3.90 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 1.32 0.00 0.00 179 D 8.12 4.40 0.00 2.71 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 0.00 180 E 8.33 4.02 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 181 W 8.49 4.06 0.00 3.39 3.38 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 0.00 182 I 8.27 3.35 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.81 0.87 0.00 0.00 183 A 8.08 3.89 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 0.00 184 A 7.87 3.93 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 0.00 185 V 7.45 3.19 1.57 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 0.73 0.00 0.00 -0.58 0.00 0.00 186 Q 7.87 4.03 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 187 G 8.15 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 0.00 188 G 7.76 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 T 7.77 4.51 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 1.24 0.00 0.00 190 P 0.00 4.50 0.00 2.23 2.13 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 191 L 8.02 4.73 0.00 1.74 1.69 1.22 0.84 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 0.00 192 A 8.45 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 R 8.43 4.67 0.00 1.69 1.84 0.00 3.23 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 194 G 8.29 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 0.00 0.00 0.00 0.00 195 N 8.22 5.62 0.00 2.81 2.87 0.00 0.00 6.75 7.85 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 0.00 196 I 8.56 3.69 1.85 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 1.49 0.68 0.90 0.00 0.00 197 Y 8.02 4.35 0.00 2.91 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 0.00 198 A 8.67 3.91 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 0.00 199 S 8.18 4.08 0.00 4.10 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 0.00 200 N 8.48 4.36 0.00 2.83 2.92 0.00 0.00 7.26 7.39 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 0.00 201 Q 8.50 3.99 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.08 0.00 202 K 7.97 3.95 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 203 A 7.86 4.14 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 0.00 204 R 8.35 3.94 0.00 2.01 2.01 0.00 3.29 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 205 A 7.91 4.12 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 0.00 206 R 7.75 3.99 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 207 R 7.87 3.93 0.00 1.83 1.96 0.00 3.41 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 208 A 7.91 3.73 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 0.00 209 T 8.14 4.05 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 * Residues marked with a * may have inaccurate shift predictions.