NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 A 4.3374 8.1227 122.4608 51.7808 20.5690 174.9796 32 E 4.6976 8.6825 121.8075 53.3808 32.4037 169.6077 33 V 4.2543 8.8171 127.5581 60.8709 34.5553 173.8153 34 L 4.7683 8.5744 128.5474 54.7833 41.5601 176.8000 35 L 4.4812 9.3354 124.8815 56.5282 42.9854 177.2497 36 L 4.6331 7.7272 119.4050 53.9415 45.4922 174.5495 37 D 5.0298 8.8505 124.6805 52.1865 42.3968 175.4094 38 S 4.4903 9.3404 122.2660 61.1889 63.4757 177.5428 39 K 4.2681 8.5331 119.3950 57.8744 31.8881 177.8374 40 A 4.5682 7.3969 117.7512 51.5578 19.5482 176.7845 41 Q 4.1320 7.6309 117.1511 55.6975 29.3925 176.8000 42 Q 4.2634 8.5652 120.4432 56.0759 29.5378 177.3134 43 T 3.9073 8.5580 116.0838 66.8152 68.4953 175.8130 44 E 4.0340 8.2335 117.0662 57.9038 29.6754 176.5853 45 L 4.5140 7.7811 122.3819 54.2030 41.3322 176.0057 46 E 4.8837 8.6724 121.7086 55.1230 31.3771 172.7169 47 W 5.0909 9.0596 122.1098 54.9013 31.7951 175.3378 48 I 4.5852 8.7126 124.1849 59.8511 39.0775 174.6526 49 S 5.3350 8.8050 122.8374 57.0675 64.7910 173.6859 50 S 4.6616 9.2861 119.5469 55.7994 65.2797 171.8340 51 P 4.7766 0.0000 0.0000 61.9152 31.8506 175.7345 52 P 4.4907 0.0000 0.0000 65.0320 31.3807 176.8829 53 N 4.9043 8.2063 115.0863 53.0405 40.3444 174.5078 54 G 3.5548 8.4951 107.6557 46.4409 0.0000 176.3809 55 W 4.4188 9.5215 116.7847 56.8855 30.7479 175.9563 56 E 4.8317 9.5245 125.6069 54.3165 31.7887 174.3633 57 E 4.5492 8.9508 127.7279 55.8646 30.9794 175.4425 58 I 4.5658 8.5725 126.8516 59.4387 40.8295 174.3035 59 S 5.0100 8.5856 120.5441 56.7843 65.3522 172.7796 60 G 4.1174 8.6832 111.5187 45.6371 0.0000 170.9297 61 L 5.1564 8.1325 119.5204 52.9272 43.7433 177.5328 62 D 4.6632 8.8198 126.2888 53.0863 41.6181 177.1693 63 E 3.9958 8.7348 113.7094 59.0243 29.7772 173.0105 64 N 4.7785 8.3089 112.4310 53.1576 38.7551 174.0479 65 Y 3.5651 8.1071 118.4377 58.9548 37.7904 169.0272 66 T 4.7265 7.9844 107.0374 58.4182 71.9484 171.6590 67 P 4.8686 0.0000 0.0000 62.8731 32.2960 175.7079 68 I 4.6580 8.9747 117.4772 59.0567 40.9290 174.0189 69 R 4.8388 8.6118 127.1641 54.9551 31.7857 175.0416 70 T 4.8637 8.7246 115.9423 60.1923 73.1267 171.9367 71 Y 5.4114 8.4994 117.6214 56.7435 42.5263 174.8195 72 Q 5.2841 9.2051 118.0879 55.6952 32.6024 173.4590 73 V 4.4307 8.0846 119.4721 60.1949 34.8504 174.0419 74 C 4.9885 7.8607 121.2011 55.9834 44.4000 175.1471 75 Q 4.3378 7.3545 123.2656 55.0707 27.6906 177.0482 76 V 3.9633 7.2821 108.6656 62.4138 32.8782 178.1161 77 M 4.1799 7.9772 119.8953 57.7947 32.2892 176.4852 78 E 4.4193 7.8151 116.7341 54.4157 30.8282 174.4863 79 P 4.5353 0.0000 0.0000 62.6284 32.5535 174.8161 80 N 4.2480 8.6416 112.2658 54.2644 36.1032 175.0066 81 Q 4.1549 7.9201 116.5227 56.3313 29.9808 176.6185 82 N 5.4566 8.3245 119.9897 52.3979 39.4187 173.6546 83 N 5.0506 8.6647 118.3542 52.4326 40.7210 176.1601 84 W 5.3004 9.5716 124.1622 54.8563 32.6562 174.7078 85 L 5.0955 8.5301 124.4979 53.3101 44.8417 174.9625 86 R 4.9534 8.9492 126.7154 54.4518 33.2216 175.2911 87 T 2.7151 7.9081 116.6749 60.1368 70.1196 173.3894 88 N 4.8058 8.0280 119.4852 52.0921 38.5889 174.5265 89 W 3.4926 8.8689 129.9628 57.4731 31.4676 175.0053 90 I 3.8921 7.2431 129.1445 59.0186 38.1798 175.4178 91 S 3.6997 7.5510 123.0500 57.2500 63.8502 174.7998 92 K 4.1023 8.8912 124.6366 57.5659 33.8780 178.5431 93 G 3.8007 7.4157 106.8513 47.2739 0.0000 173.5934 94 N 4.6518 8.8572 121.1968 52.5586 38.3638 174.5587 95 A 2.9614 6.9306 121.5792 51.7204 19.4029 176.2521 96 Q 4.0451 8.1151 119.9052 56.7650 29.8070 176.1342 97 R 4.2921 8.3549 119.2487 56.5662 31.8955 176.7443 98 I 4.5061 8.5216 124.2755 59.4281 40.6076 174.4590 99 F 4.9106 8.9828 124.8992 55.5659 41.7593 174.8497 100 V 4.8732 8.9126 122.5891 61.1780 34.2447 173.5648 101 E 5.2729 9.7342 129.8760 54.5508 31.9287 174.2755 102 L 5.4677 9.3846 127.1951 52.9985 44.9226 175.4402 103 K 5.3610 9.2944 123.3105 54.7462 35.1581 175.2392 104 F 5.5071 8.5647 118.3680 56.3243 41.7827 172.8870 105 T 4.9195 8.9716 109.7404 60.0382 72.0828 173.3056 106 L 4.8169 8.3231 124.8167 53.8884 44.3129 175.5995 107 R 4.2076 8.5616 126.5519 55.7619 31.0533 176.7003 108 D 4.5646 8.6815 122.6797 54.3545 42.1933 177.8598 109 C 4.5102 9.8922 124.0160 59.3945 39.8988 175.9829 110 N 4.2846 8.0952 117.9165 55.9466 38.1898 176.4824 111 S 4.4795 7.8079 112.9241 58.8426 64.6033 174.2160 112 L 4.7066 7.4590 121.3232 52.9778 42.1303 175.4635 113 P 4.3165 0.0000 0.0000 62.0566 31.9716 176.8369 *116 L 3.9643 8.2005 125.4876 53.8590 41.7908 176.1598 117 G 4.0296 8.7043 110.3453 44.7202 0.0000 171.6506 118 T 4.3295 7.4129 107.5531 61.8542 69.9580 175.6862 119 C 4.6250 8.0378 122.5391 56.4322 43.8807 172.3571 120 K 4.8546 8.7755 124.7295 54.9514 34.7381 176.3480 121 E 4.8045 8.7549 119.2081 56.1616 30.1766 175.5078 122 T 5.1514 7.7663 108.1166 60.2377 72.5154 172.1332 123 F 5.1472 8.4928 115.5899 55.5582 42.2300 172.8000 124 N 5.1698 9.1200 116.3208 51.4044 41.2818 173.6777 125 L 4.9507 8.5224 125.5110 53.8648 44.0722 174.8563 126 Y 5.5321 9.0835 123.3740 56.5779 42.4242 173.8329 127 Y 5.6862 9.4189 117.9002 56.2445 42.2769 173.4956 128 Y 4.7153 9.0370 121.4171 56.1274 42.1444 173.9001 129 E 4.6224 8.3211 126.5478 56.5867 30.5775 176.0026 130 T 4.3562 8.3850 116.5815 61.0723 70.7573 174.3553 131 D 4.5928 8.6257 126.8898 56.9277 41.3072 175.8180 132 Y 3.4459 6.5167 114.5321 54.5776 40.5288 173.7275 133 D 4.0493 7.0311 120.6691 54.8233 41.9079 175.6474 134 T 4.6411 8.5573 122.1360 60.7576 69.8497 174.7566 135 G 3.8467 8.5237 110.5534 45.6985 0.0000 173.6170 136 R 3.9541 8.4361 116.2450 57.6961 29.9579 176.0885 137 N 4.6856 7.9480 117.4369 51.8643 39.7653 173.6887 138 I 4.4164 7.7942 125.8654 58.9958 40.3026 175.3380 139 R 3.8682 7.9879 123.7659 55.9920 30.4723 177.4569 140 E 3.2646 8.1387 123.7995 58.5928 29.6777 178.8960 141 N 4.3121 7.7758 115.4601 55.8262 38.7109 176.0264 142 L 3.9995 7.2320 116.4034 56.1248 42.0165 176.8218 143 Y 4.2406 7.3245 116.7549 57.4214 38.6923 174.7370 144 V 4.4514 8.5384 124.2665 60.8470 33.5499 174.7840 145 K 3.7739 8.8584 130.0192 56.9754 32.1506 176.2346 146 I 4.0723 8.6899 129.7371 63.1676 37.5696 175.3778 147 D 4.4108 7.2502 118.4075 53.5377 44.6283 173.8866 148 T 4.5185 8.3689 119.0372 63.3267 69.6770 174.1943 149 I 4.2933 8.6407 126.8950 59.3440 39.3084 174.6480 150 A 5.1619 8.4098 127.1611 49.7340 22.2598 175.5015 151 A 4.3903 8.8142 122.2483 51.5153 19.3531 177.5469 152 D 4.5266 8.9503 120.1413 54.1100 41.4443 176.8940 153 E 4.1785 8.4880 122.2011 57.1405 31.2807 174.4429 154 S 4.3102 7.7767 123.7862 58.4956 68.5179 175.8277 *166 K 4.3373 9.0108 115.0050 55.4700 33.3662 175.3835 167 L 4.6258 7.5483 116.6050 53.0970 43.6223 176.2905 168 N 4.5542 8.2392 120.4478 52.8857 40.1652 174.3024 169 T 5.1872 8.3501 118.6727 61.9028 71.6696 173.1057 170 E 4.8739 9.6633 126.1306 54.4587 33.1237 175.0621 171 V 5.1068 8.6414 123.5512 61.2379 34.2621 174.7745 172 R 4.8597 9.1885 125.9980 54.2677 34.1143 173.8835 173 E 4.7719 8.6669 120.6615 54.4348 31.8725 174.8165 174 I 4.2190 8.3680 115.4508 59.6455 41.8584 175.1303 175 G 3.7136 8.2538 109.0130 43.6615 0.0000 171.2095 176 P 4.6812 0.0000 0.0000 62.0012 31.7562 176.3876 177 L 4.4693 7.9568 121.9939 53.6883 43.0569 176.9945 178 S 4.3061 8.6359 116.1778 60.4361 63.8096 175.0923 179 K 4.4149 8.2084 121.6631 55.9158 32.7562 177.7821 180 K 4.2441 9.2474 123.8843 57.9964 32.9856 177.0020 181 G 4.2088 8.0256 104.6209 46.2905 0.0000 171.4021 182 F 5.2294 7.7206 112.3474 56.3379 41.5011 172.7684 183 Y 4.8383 8.9794 117.7588 56.4148 40.8932 174.8280 184 L 5.3987 8.3668 121.5296 53.3012 44.6629 175.4940 185 A 4.6932 8.6517 122.6336 50.0958 23.3243 174.9538 186 F 5.2226 8.7573 118.4793 55.6576 42.6947 173.8547 187 Q 4.5051 9.0455 125.6473 54.2480 31.0051 173.4033 188 D 5.2004 9.4225 127.2911 52.7289 42.9591 176.9016 189 V 4.8045 8.0464 117.2560 60.4351 32.3821 175.0947 190 G 3.7450 8.0776 109.1361 46.3141 0.0000 173.7328 191 A 5.0342 9.4390 122.9258 49.5479 21.8972 175.6289 192 C 4.9105 8.3706 119.2739 55.2387 43.6506 171.7567 193 I 5.1407 8.8648 126.7341 59.0511 40.2115 174.4972 194 A 4.9121 8.7163 128.3542 50.2161 21.3718 175.4485 195 L 4.5834 9.1518 126.7476 54.7793 41.6936 177.1071 196 V 3.8622 8.7951 127.3380 65.0927 32.5848 176.3237 197 S 4.7501 7.9581 113.9091 56.7294 66.2402 172.9682 198 V 5.1155 9.4268 126.6405 61.2609 34.4088 174.1155 199 K 5.3294 9.5116 127.6190 54.6367 35.7487 175.3399 200 V 5.1825 9.1246 124.4910 61.3685 34.4488 173.8886 201 Y 5.6397 8.6623 124.7330 56.4262 42.0356 172.8737 202 Y 5.4042 8.7633 116.7866 55.7548 42.2758 173.6465 203 K 5.4066 9.2498 119.3031 53.7561 34.3096 176.5854 204 K 4.3898 8.5908 123.2463 57.0240 32.5526 176.4205 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 31 A 8.12 4.34 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.68 4.70 0.00 1.96 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 2.14 2.42 0.00 33 V 8.82 4.25 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 0.92 0.00 0.00 0.66 0.00 0.00 34 L 8.57 4.77 0.00 1.60 1.66 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.34 4.48 0.00 1.72 1.75 1.14 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.73 4.63 0.00 1.70 1.55 1.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.85 5.03 0.00 2.79 2.54 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 38 S 9.34 4.49 0.00 3.99 4.53 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 39 K 8.53 4.27 0.00 1.84 1.88 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.43 7.81 40 A 7.40 4.57 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 41 Q 7.63 4.13 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.88 0.00 0.00 0.00 0.00 0.00 2.52 2.64 0.00 42 Q 8.57 4.26 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 43 T 8.56 3.91 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 1.24 0.00 0.00 44 E 8.23 4.03 0.00 2.13 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 0.00 2.33 2.32 0.00 45 L 7.78 4.51 0.00 1.93 1.89 1.09 1.18 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 46 E 8.67 4.88 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 2.17 1.90 0.00 47 W 9.06 5.09 0.00 3.18 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 48 I 8.71 4.59 1.87 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 1.26 1.28 1.00 0.00 0.00 49 S 8.81 5.33 0.00 3.89 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 50 S 9.29 4.66 0.00 3.84 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 51 P 0.00 4.78 0.00 2.31 2.21 0.00 3.99 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 52 P 0.00 4.49 0.00 2.11 2.21 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 53 N 8.21 4.90 0.00 2.70 2.81 0.00 0.00 6.92 7.98 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 54 G 8.50 3.55 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 0.00 55 W 9.52 4.42 0.00 3.27 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 56 E 9.52 4.83 0.00 2.04 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 2.22 2.26 0.00 57 E 8.95 4.55 0.00 2.20 1.85 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 2.02 1.69 0.00 58 I 8.57 4.57 1.82 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 1.06 1.06 0.82 0.00 0.00 59 S 8.59 5.01 0.00 3.71 3.60 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 60 G 8.68 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.13 5.16 0.00 1.23 1.22 -0.11 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.82 4.66 0.00 2.87 2.81 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 0.00 0.00 0.00 0.00 63 E 8.73 4.00 0.00 2.01 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 2.23 1.90 0.00 64 N 8.31 4.78 0.00 2.81 2.89 0.00 0.00 6.88 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Y 8.11 3.57 0.00 3.01 3.04 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 66 T 7.98 4.73 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 1.26 0.00 0.00 67 P 0.00 4.87 0.00 1.90 1.96 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 68 I 8.97 4.66 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.87 0.87 0.00 0.00 69 R 8.61 4.84 0.00 1.76 1.87 0.00 2.90 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.21 0.00 70 T 8.72 4.86 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 1.14 0.00 0.00 71 Y 8.50 5.41 0.00 2.98 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 72 Q 9.21 5.28 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 73 V 8.08 4.43 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 -0.82 0.00 0.00 0.55 0.00 0.00 74 C 7.86 4.99 0.00 2.80 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 75 Q 7.35 4.34 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 76 V 7.28 3.96 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 0.71 0.00 0.00 0.91 0.00 0.00 77 M 7.98 4.18 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 78 E 7.82 4.42 0.00 1.94 1.86 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 2.26 2.28 0.00 79 P 0.00 4.54 0.00 2.18 2.07 0.00 3.92 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 1.99 1.98 0.00 80 N 8.64 4.25 0.00 2.91 2.96 0.00 0.00 6.93 7.69 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 81 Q 7.92 4.15 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.03 0.00 0.00 0.00 0.00 0.00 2.61 2.42 0.00 82 N 8.32 5.46 0.00 2.71 2.80 0.00 0.00 7.10 7.79 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 83 N 8.66 5.05 0.00 2.64 2.84 0.00 0.00 6.91 7.82 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 84 W 9.57 5.30 0.00 3.35 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 85 L 8.53 5.10 0.00 0.62 0.56 1.08 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 86 R 8.95 4.95 0.00 1.75 1.60 0.00 2.48 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 87 T 7.91 2.72 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 88 N 8.03 4.81 0.00 2.90 3.22 0.00 0.00 5.93 8.88 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 89 W 8.87 3.49 0.00 3.11 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 90 I 7.24 3.89 0.56 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.13 0.53 0.00 0.00 91 S 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 8.91 4.87 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 1.18 0.00 0.00 0.92 0.00 0.00 101 E 9.73 5.27 0.00 2.42 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 2.38 2.42 0.00 102 L 9.38 5.47 0.00 1.87 1.81 1.10 1.23 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 0.00 103 K 9.29 5.36 0.00 1.72 1.72 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 104 F 8.56 5.51 0.00 3.39 3.24 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 0.00 105 T 8.97 4.92 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 1.23 0.00 0.00 106 L 8.32 4.82 0.00 1.96 1.76 1.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.56 4.21 0.00 1.78 1.86 0.00 3.40 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 108 D 8.68 4.56 0.00 2.69 2.55 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 0.00 109 C 9.89 4.51 0.00 3.04 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 0.00 110 N 8.10 4.28 0.00 2.83 2.89 0.00 0.00 7.00 7.02 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 0.00 111 S 7.81 4.48 0.00 4.04 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 0.00 112 L 7.46 4.71 0.00 1.62 1.59 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.32 0.00 2.18 2.08 0.00 3.79 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 1.98 1.95 0.00 *116 L 8.20 3.96 0.00 1.63 1.69 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.70 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 0.00 118 T 7.41 4.33 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 0.00 119 C 8.04 4.62 0.00 2.95 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 0.00 120 K 8.78 4.85 0.00 1.81 1.68 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.65 7.81 121 E 8.75 4.80 0.00 1.95 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 2.24 2.28 0.00 122 T 7.77 5.15 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 1.22 0.00 0.00 123 F 8.49 5.15 0.00 3.47 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 0.00 124 N 9.12 5.17 0.00 2.72 2.44 0.00 0.00 6.96 6.06 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 0.00 125 L 8.52 4.95 0.00 1.72 1.53 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 9.08 5.53 0.00 3.01 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 0.00 127 Y 9.42 5.69 0.00 3.34 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 0.00 128 Y 9.04 4.72 0.00 1.87 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 0.00 129 E 8.32 4.62 0.00 1.64 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 2.32 2.36 0.00 130 T 8.38 4.36 3.92 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 1.35 0.00 0.00 131 D 8.63 4.59 0.00 2.72 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 0.00 132 Y 6.52 3.45 0.00 2.55 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 0.00 133 D 7.03 4.05 0.00 2.33 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 0.00 134 T 8.56 4.64 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 1.08 0.00 0.00 135 G 8.52 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 0.00 136 R 8.44 3.95 0.00 1.95 2.11 0.00 3.04 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 137 N 7.95 4.69 0.00 2.65 2.71 0.00 0.00 6.80 7.94 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 0.00 138 I 7.79 4.42 1.92 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.57 0.61 0.00 0.00 139 R 7.99 3.87 0.00 1.67 1.58 0.00 3.07 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 140 E 8.14 3.26 0.00 1.54 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 1.47 0.00 141 N 7.78 4.31 0.00 2.56 2.80 0.00 0.00 6.97 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 0.00 142 L 7.23 4.00 0.00 0.94 0.69 0.53 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 143 Y 7.32 4.24 0.00 3.00 3.12 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 0.00 0.00 0.00 144 V 8.54 4.45 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 1.09 0.00 0.00 0.80 0.00 0.00 145 K 8.86 3.77 0.00 1.59 1.60 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.11 0.63 7.81 146 I 8.69 4.07 1.90 0.00 0.00 0.77 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 0.89 0.80 0.00 0.00 147 D 7.25 4.41 0.00 2.57 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 0.00 0.00 0.00 0.00 148 T 8.37 4.52 4.16 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 1.13 0.00 0.00 149 I 8.64 4.29 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.86 0.08 0.00 0.00 150 A 8.41 5.16 1.21 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 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0.00 2.12 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 2.53 2.67 0.00 171 V 8.64 5.11 2.21 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 1.06 0.00 0.00 1.09 0.00 0.00 172 R 9.19 4.86 0.00 1.66 1.65 0.00 3.25 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 173 E 8.67 4.77 0.00 1.16 1.17 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 1.95 1.93 0.00 174 I 8.37 4.22 1.14 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 0.68 0.51 0.46 0.00 0.00 175 G 8.25 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 0.00 176 P 0.00 4.68 0.00 1.97 1.90 0.00 3.63 0.00 0.00 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 177 L 7.96 4.47 0.00 1.48 1.64 0.27 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.64 4.31 0.00 3.94 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 0.00 179 K 8.21 4.41 0.00 1.85 1.78 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.72 7.81 180 K 9.25 4.24 0.00 1.44 1.82 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.27 7.81 181 G 8.03 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 0.00 0.00 0.00 0.00 182 F 7.72 5.23 0.00 3.27 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 0.00 183 Y 8.98 4.84 0.00 3.17 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 0.00 184 L 8.37 5.40 0.00 1.36 1.15 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.65 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 F 8.76 5.22 0.00 2.31 2.81 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 0.00 0.00 0.00 0.00 187 Q 9.05 4.51 0.00 0.93 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.09 1.57 0.00 188 D 9.42 5.20 0.00 2.61 2.34 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 0.00 189 V 8.05 4.80 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 1.18 0.00 0.00 0.98 0.00 0.00 190 G 8.08 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 0.00 0.00 0.00 191 A 9.44 5.03 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 0.00 192 C 8.37 4.91 0.00 2.97 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 0.00 193 I 8.86 5.14 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.47 0.69 0.00 0.00 194 A 8.72 4.91 1.26 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 0.00 0.00 195 L 9.15 4.58 0.00 1.76 1.69 0.79 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.80 3.86 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 0.77 0.00 0.00 0.96 0.00 0.00 197 S 7.96 4.75 0.00 3.94 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 0.00 198 V 9.43 5.12 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 1.35 0.00 0.00 1.10 0.00 0.00 199 K 9.51 5.33 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.55 1.45 7.81 200 V 9.12 5.18 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 1.29 0.00 0.00 1.10 0.00 0.00 201 Y 8.66 5.64 0.00 3.20 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 0.00 202 Y 8.76 5.40 0.00 3.29 3.06 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 0.00 203 K 9.25 5.41 0.00 1.76 1.80 0.00 1.86 0.00 0.00 2.24 0.00 0.00 2.56 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.35 1.33 7.81 204 K 8.59 4.39 0.00 1.83 1.93 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.