NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9355 8.3549 109.7367 44.9541 0.0000 173.4817 2 S 4.1276 8.2579 115.5382 57.4155 63.0768 172.5461 3 H 4.4754 9.2371 123.9981 56.5598 31.8099 173.5217 4 M 5.1964 8.3306 124.6805 53.4191 34.3873 175.1685 5 I 4.6867 8.5380 116.9534 59.0475 40.9590 174.5818 6 D 5.1768 8.7140 125.2150 52.7407 41.4603 176.0314 7 V 4.4583 8.6599 119.8876 60.5331 34.7323 172.5579 8 P 4.7200 0.0000 0.0000 62.9684 32.3171 176.0401 9 I 4.5191 8.7721 124.1412 58.9438 41.6557 172.8070 10 P 4.3370 0.0000 0.0000 62.8912 31.8505 177.3711 11 R 3.7598 8.2420 122.6362 59.5442 29.8046 178.8784 12 F 4.3858 8.0382 111.8676 58.5850 38.2481 175.8905 13 A 4.4557 7.0735 120.9132 52.0119 19.8684 178.5965 14 V 3.4454 7.1816 118.3346 64.7655 31.1752 178.6552 15 G 3.6542 7.9668 105.3636 47.0877 0.0000 175.3055 16 I 3.7325 7.5958 120.8033 63.9525 38.0980 177.8121 17 V 3.7663 7.5378 117.5181 66.0427 31.9532 177.6860 18 I 3.9459 7.5477 119.4594 63.0338 37.0381 177.6630 19 G 4.3153 7.9199 104.3332 45.0752 0.0000 172.4976 20 R 4.0273 8.1791 119.3247 57.0699 30.6314 176.6127 21 N 4.2185 9.7420 120.0174 53.7112 36.7295 174.8649 22 G 3.9583 7.9689 106.1337 46.4085 0.0000 175.6123 23 E 4.0740 8.4162 122.2709 59.5462 29.1838 179.3197 24 M 4.0369 7.9126 118.1143 58.2425 32.1160 178.2560 25 I 3.7267 7.6864 118.2502 64.2024 38.1633 178.0674 26 K 4.0888 8.5675 119.5316 59.2705 31.8021 179.2732 27 K 3.9230 7.9516 119.4812 59.7201 31.8540 178.9641 28 I 3.6211 8.4500 120.8663 64.2587 36.8945 178.0854 29 Q 4.0620 9.0881 121.5480 59.3690 28.6400 178.2025 30 N 4.2376 8.2609 116.9684 56.6444 39.0982 176.1205 31 D 4.4190 8.7268 118.9489 56.8189 41.4565 177.1947 32 A 4.5057 9.1331 120.0009 50.9087 21.0395 176.3107 33 G 3.6383 9.0348 105.3111 46.3752 0.0000 173.2081 34 V 4.6833 7.2550 108.9295 59.4423 36.6475 176.6110 35 R 4.5497 8.3402 122.8977 54.6780 32.4328 174.4086 36 I 4.3702 8.2648 126.9560 59.5205 39.1639 174.6236 37 Q 4.2594 8.7116 129.0280 54.0452 31.0777 174.4766 38 F 5.0305 8.3966 125.9337 57.0426 39.7760 175.2371 39 K 4.7800 8.8576 121.3119 54.1434 35.8991 173.8542 40 P 4.1280 0.0000 0.0000 61.9405 32.2379 176.1039 41 D 4.5630 8.4071 119.6401 52.9860 38.6526 175.4525 42 D 4.5371 8.4834 125.3862 54.0764 41.7330 176.0856 43 G 3.7999 10.1953 113.2872 44.9552 0.0000 175.8649 44 T 3.5923 8.1989 108.2990 62.3324 68.8333 172.5636 45 T 4.0531 7.9490 112.9429 61.0663 69.8940 172.9709 46 P 4.6787 0.0000 0.0000 62.4307 31.0594 175.4930 47 E 4.8839 7.5618 114.4024 55.6360 33.1402 176.1609 48 R 4.3642 8.6503 121.7438 55.8291 32.0272 175.4752 49 I 4.6062 8.1294 122.7464 60.4294 39.0691 174.5080 50 A 4.8117 9.3594 129.7359 50.5879 21.0481 175.6355 51 Q 4.5429 8.7486 125.6121 55.0664 30.1859 174.3336 52 I 4.9416 8.4265 128.3326 59.9812 39.8122 175.2148 53 T 5.0573 8.4288 114.5732 59.7900 72.2073 173.0794 54 G 4.1287 8.2834 110.2527 45.3547 0.0000 170.0387 55 P 4.3253 0.0000 0.0000 62.1293 32.2177 175.7832 56 P 4.1817 0.0000 0.0000 66.0943 31.0967 178.7265 57 D 4.4177 7.9644 116.8850 57.5715 41.0964 178.9016 58 R 4.0030 7.9951 117.6656 59.0086 29.9508 178.9126 59 A 4.0228 8.7324 121.2705 55.1737 18.1536 179.7217 60 Q 3.8849 7.4811 114.0025 59.4808 29.2373 177.9720 61 H 4.2338 8.2929 118.9563 59.2508 29.7548 177.1177 62 A 3.9524 8.5010 122.7696 55.1227 18.2102 179.3544 63 A 3.9544 7.8448 118.9649 55.3960 18.3504 179.7853 64 E 4.3463 7.8156 118.0236 58.9717 29.5096 179.4599 65 I 3.6287 7.3977 119.8782 64.5669 37.1236 178.5440 66 I 3.7521 7.6938 120.2015 64.4294 37.0612 178.4752 67 T 4.0043 8.0223 110.6384 65.0296 68.4028 176.0157 68 D 4.3206 8.3987 120.4084 56.5307 41.4606 177.8075 69 L 4.0748 8.3562 121.2407 58.1222 42.2131 178.4821 70 L 3.9474 8.7763 121.5033 58.4295 41.9442 179.0932 71 R 4.0311 8.3729 118.2219 59.3601 29.7696 178.9003 72 S 4.1923 7.9912 111.8383 60.8434 62.3807 175.8013 73 V 3.9735 7.9482 120.5244 64.5547 32.6862 176.7972 74 Q 4.2562 7.4782 118.6902 54.9672 26.6664 174.8606 *104 Q 4.1668 7.6530 121.3127 55.6616 30.5577 173.2059 105 E 5.0950 8.5917 120.8173 54.5874 32.7556 175.1793 106 F 4.8541 8.9797 124.9113 56.8302 43.4415 172.5902 107 N 5.0890 7.5405 122.3792 51.8811 40.2695 173.9163 108 F 4.7538 8.8688 125.3906 56.4768 41.6627 174.6713 109 I 4.2460 7.9324 127.0068 61.1435 38.5031 175.7040 110 V 4.4676 8.3335 124.3002 60.3648 34.7107 172.6649 111 P 4.6763 0.0000 0.0000 62.9866 31.9655 177.1553 112 T 3.9330 8.4655 118.1398 64.5032 67.0255 175.1393 113 G 3.7614 8.1872 109.0865 48.2320 0.0000 174.6677 114 K 4.3377 8.0034 117.4533 56.3196 32.7361 178.3011 115 T 3.8771 8.0024 115.0930 65.0451 67.2325 176.1688 116 G 3.6460 8.1567 110.0691 48.4634 0.0000 175.2161 117 L 4.1704 7.5589 118.6085 56.5471 42.0000 178.5500 118 I 3.9293 7.5440 119.0761 64.1205 38.0023 177.1736 119 I 3.7025 7.7173 120.9108 64.1850 37.2561 177.9826 120 G 4.1676 7.7687 103.7431 44.4402 0.0000 172.2031 121 K 3.7969 8.2727 119.1340 57.6774 31.6832 177.0563 122 G 3.8998 9.0769 114.4208 45.5779 0.0000 173.1827 123 G 4.3086 8.2117 106.7375 45.5802 0.0000 175.8091 124 E 3.9396 7.7308 120.1941 59.4234 29.1562 179.6394 125 T 3.8974 7.7683 115.3758 66.5955 68.7979 176.5804 126 I 3.6683 7.7312 119.9182 63.9905 37.8784 177.9408 127 K 4.2836 8.7043 121.2430 58.9020 31.9064 179.0519 128 S 4.1785 7.7882 114.1908 61.9244 62.5469 176.6907 129 I 3.7486 7.9847 123.9970 63.7482 36.9836 178.5956 130 S 4.2106 8.3159 115.3328 61.6130 62.6210 176.5861 131 Q 3.9539 8.6011 121.3297 58.7100 28.6150 178.4451 132 Q 4.0925 8.2202 118.1949 58.6097 29.1211 178.2697 133 S 4.4607 8.7346 113.8701 57.8755 63.4248 175.4191 134 G 4.3663 8.3607 108.8317 45.1904 0.0000 173.5947 135 A 4.3840 7.8221 120.7417 51.5673 19.8564 177.1478 136 R 4.4439 9.1184 120.4766 55.0878 31.5222 175.0732 137 I 4.7864 8.3343 127.2684 59.8896 39.3121 175.4672 138 E 4.5279 8.6410 125.2868 54.6662 33.8195 174.5491 139 L 3.4836 8.6167 124.8904 55.4663 42.0434 176.5841 140 Q 4.3057 8.5045 126.0589 54.6224 30.1562 175.5748 141 R 4.1681 8.6391 126.1085 56.0437 30.8554 175.6164 142 N 4.7829 8.3692 118.4368 50.0895 38.8736 172.0181 143 P 4.1734 0.0000 0.0000 62.1685 31.5788 174.9637 144 P 4.2121 0.0000 0.0000 65.2250 31.5932 176.2588 145 P 4.4123 0.0000 0.0000 65.3170 31.4142 176.7227 146 N 4.6331 8.0250 112.1724 54.4900 40.0549 175.2835 147 A 4.1656 8.3087 119.9453 51.8685 19.2126 176.3527 148 D 4.6947 8.3544 119.2603 52.6126 40.9114 176.3536 149 P 3.9905 0.0000 0.0000 65.0226 31.5557 177.3853 150 N 4.6227 8.1032 114.7536 54.8640 38.9904 174.2041 151 M 5.0857 8.6353 117.8675 53.3618 35.8046 174.8489 152 K 4.8119 8.8102 119.8301 54.5445 36.9312 174.5742 153 L 4.8736 8.1181 123.2802 53.4975 44.6592 174.8898 154 F 4.9775 8.9502 125.3941 56.1276 41.1334 174.9777 155 T 4.7756 8.2123 119.7855 62.9036 70.5296 174.2057 156 I 4.8519 8.2548 124.8603 59.9817 41.5152 174.5145 157 R 4.9938 8.6484 125.4532 54.7844 34.7286 175.4384 158 G 4.0243 7.8054 106.0962 47.0000 0.0000 173.0149 159 T 4.4019 8.1450 109.6206 60.5445 70.1772 173.6382 160 P 4.3060 0.0000 0.0000 66.2683 30.9559 178.6722 161 Q 4.0412 8.0883 117.5086 59.0204 28.8709 178.0834 162 Q 4.0135 8.0061 119.3660 59.0082 28.8383 178.3714 163 I 3.7706 8.3229 120.0580 64.0668 37.9415 177.4037 164 D 4.3253 8.0208 119.0855 57.3562 40.5850 177.5972 165 Y 3.8291 7.8889 119.3801 60.4891 38.8063 177.8582 166 A 4.0547 8.0012 121.7756 55.1776 18.5300 179.4180 167 R 3.8581 8.0085 117.2480 59.6742 29.5405 178.6578 168 Q 3.9060 7.7536 117.2199 58.9219 28.5060 178.8589 169 L 3.8738 7.0832 117.6355 57.8428 42.1021 179.0406 170 I 3.6193 7.5486 119.7341 65.3155 36.7104 177.0260 171 E 3.9457 8.6159 119.0382 58.6188 28.9541 178.3493 172 E 3.6650 7.4573 123.4849 58.7858 30.2405 178.8443 173 K 4.3289 7.5877 116.5133 56.6789 33.0350 176.4064 174 I 4.0053 8.6612 125.2399 61.3275 37.2030 175.3802 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 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.26 4.13 0.00 3.95 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 3 H 9.24 4.48 0.00 3.27 3.19 0.00 5.73 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 4 M 8.33 5.20 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 5 I 8.54 4.69 1.85 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 1.25 0.86 0.86 0.00 0.00 6 D 8.71 5.18 0.00 2.67 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 7 V 8.66 4.46 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 1.08 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.72 0.00 2.11 2.04 0.00 3.79 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 2.00 0.00 9 I 8.77 4.52 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.78 0.00 0.00 10 P 0.00 4.34 0.00 0.49 1.72 0.00 3.34 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.02 0.00 11 R 8.24 3.76 0.00 2.02 1.94 0.00 3.07 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 12 F 8.04 4.39 0.00 3.19 3.22 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 13 A 7.07 4.46 0.75 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 0.00 0.00 14 V 7.18 3.45 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 0.57 0.00 0.00 0.37 0.00 0.00 15 G 7.97 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.60 3.73 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.93 0.00 0.00 17 V 7.54 3.77 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 1.12 0.00 0.00 0.97 0.00 0.00 18 I 7.55 3.95 1.77 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.93 0.00 0.00 19 G 7.92 4.32 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 0.00 20 R 8.18 4.03 0.00 1.86 1.80 0.00 3.33 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 21 N 9.74 4.22 0.00 2.92 2.91 0.00 0.00 7.10 7.66 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 22 G 7.97 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 23 E 8.42 4.07 0.00 2.02 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 0.00 2.34 2.58 0.00 24 M 7.91 4.04 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.54 0.00 25 I 7.69 3.73 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 1.01 0.00 0.00 26 K 8.57 4.09 0.00 1.90 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.61 7.81 27 K 7.95 3.92 0.00 1.97 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.49 7.81 28 I 8.45 3.62 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.92 0.00 0.00 29 Q 9.09 4.06 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 30 N 8.26 4.24 0.00 2.82 2.92 0.00 0.00 7.25 8.34 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 31 D 8.73 4.42 0.00 2.74 2.69 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 32 A 9.13 4.51 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 9.03 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.26 4.68 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 0.73 0.00 0.00 0.92 0.00 0.00 35 R 8.34 4.55 0.00 1.77 1.70 0.00 3.03 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 36 I 8.26 4.37 1.59 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 1.12 0.67 0.09 0.00 0.00 37 Q 8.71 4.26 0.00 1.96 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 7.02 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 38 F 8.40 5.03 0.00 3.05 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 39 K 8.86 4.78 0.00 1.79 1.86 0.00 1.34 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.39 7.81 40 P 0.00 4.13 0.00 2.07 2.08 0.00 3.69 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 2.05 2.13 0.00 41 D 8.41 4.56 0.00 2.96 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 42 D 8.48 4.54 0.00 2.69 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 43 G 10.20 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 44 T 8.20 3.59 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 1.21 0.00 0.00 45 T 7.95 4.05 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 1.27 0.00 0.00 46 P 0.00 4.68 0.00 2.28 2.31 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 47 E 7.56 4.88 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 2.16 2.31 0.00 48 R 8.65 4.36 0.00 1.75 1.91 0.00 3.00 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 49 I 8.13 4.61 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.92 0.00 0.00 50 A 9.36 4.81 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 51 Q 8.75 4.54 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 52 I 8.43 4.94 1.82 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 1.18 0.54 0.87 0.00 0.00 53 T 8.43 5.06 4.20 0.00 0.00 0.00 0.00 0.00 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 54 G 8.28 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 55 P 0.00 4.33 0.00 2.18 2.03 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 56 P 0.00 4.18 0.00 2.14 2.11 0.00 3.59 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 2.12 2.22 0.00 57 D 7.96 4.42 0.00 2.68 2.69 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 58 R 8.00 4.00 0.00 1.83 2.11 0.00 3.49 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 59 A 8.73 4.02 1.42 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 0.00 0.00 0.00 0.00 0.00 60 Q 7.48 3.88 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 61 H 8.29 4.23 0.00 3.27 3.34 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.50 3.95 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 63 A 7.84 3.95 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 64 E 7.82 4.35 0.00 2.10 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 2.31 2.40 0.00 65 I 7.40 3.63 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.55 0.90 0.00 0.00 66 I 7.69 3.75 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.85 0.93 0.00 0.00 67 T 8.02 4.00 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 1.23 0.00 0.00 68 D 8.40 4.32 0.00 2.77 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 69 L 8.36 4.07 0.00 1.82 1.77 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.78 3.95 0.00 1.73 1.78 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.37 4.03 0.00 2.06 1.98 0.00 3.19 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 72 S 7.99 4.19 0.00 3.88 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 73 V 7.95 3.97 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 1.06 0.00 0.00 1.01 0.00 0.00 74 Q 7.48 4.26 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.29 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 *104 Q 7.65 4.17 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 105 E 8.59 5.10 0.00 1.89 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 2.23 2.30 0.00 106 F 8.98 4.85 0.00 3.19 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 7.54 5.09 0.00 2.31 2.63 0.00 0.00 6.72 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 0.00 108 F 8.87 4.75 0.00 3.29 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 7.93 4.25 1.76 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 1.08 0.84 0.91 0.00 0.00 110 V 8.33 4.47 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 0.83 0.00 0.00 0.20 0.00 0.00 111 P 0.00 4.68 0.00 2.25 2.18 0.00 3.51 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 2.08 2.09 0.00 112 T 8.47 3.93 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 1.24 0.00 0.00 113 G 8.19 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.00 4.34 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.51 7.81 115 T 8.00 3.88 4.37 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 1.32 0.00 0.00 116 G 8.16 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.56 4.17 0.00 1.58 1.72 0.92 0.89 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 0.00 118 I 7.54 3.93 1.95 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.73 0.00 0.00 119 I 7.72 3.70 1.92 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 1.35 1.27 0.94 0.00 0.00 120 G 7.77 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 0.00 121 K 8.27 3.80 0.00 1.85 1.74 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.50 7.81 122 G 9.08 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.21 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 7.73 3.94 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 125 T 7.77 3.90 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 126 I 7.73 3.67 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.96 0.00 0.00 127 K 8.70 4.28 0.00 1.89 1.84 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.51 7.81 128 S 7.79 4.18 0.00 4.04 4.32 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 0.00 129 I 7.98 3.75 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.87 0.92 0.00 0.00 130 S 8.32 4.21 0.00 4.18 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.60 3.95 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.00 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 132 Q 8.22 4.09 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 133 S 8.73 4.46 0.00 4.42 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.36 4.37 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 0.00 135 A 7.82 4.38 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 0.00 136 R 9.12 4.44 0.00 1.86 1.84 0.00 3.20 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 137 I 8.33 4.79 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 1.06 0.00 0.00 138 E 8.64 4.53 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 139 L 8.62 3.48 0.00 1.32 1.21 0.81 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 140 Q 8.50 4.31 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 141 R 8.64 4.17 0.00 1.81 1.82 0.00 3.32 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 142 N 8.37 4.78 0.00 2.80 2.81 0.00 0.00 6.08 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.17 0.00 2.19 2.08 0.00 3.61 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 2.11 2.13 0.00 144 P 0.00 4.21 0.00 2.03 2.13 0.00 3.69 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 2.03 2.12 0.00 145 P 0.00 4.41 0.00 2.03 2.12 0.00 3.53 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 2.03 2.12 0.00 146 N 8.02 4.63 0.00 2.66 2.84 0.00 0.00 6.85 7.34 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 0.00 147 A 8.31 4.17 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 0.00 148 D 8.35 4.69 0.00 2.73 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.99 0.00 2.04 2.13 0.00 3.68 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 2.03 2.12 0.00 150 N 8.10 4.62 0.00 2.76 2.86 0.00 0.00 6.91 7.67 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 0.00 151 M 8.64 5.09 0.00 1.83 1.93 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 2.53 2.51 0.00 152 K 8.81 4.81 0.00 2.03 1.79 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.45 7.81 153 L 8.12 4.87 0.00 1.72 1.64 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.95 4.98 0.00 3.30 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 0.00 155 T 8.21 4.78 4.42 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 0.00 0.00 1.24 0.00 0.00 156 I 8.25 4.85 2.22 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.24 1.01 0.00 0.00 157 R 8.65 4.99 0.00 1.69 1.78 0.00 3.21 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 158 G 7.81 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 0.00 0.00 0.00 159 T 8.14 4.40 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 0.00 160 P 0.00 4.31 0.00 2.19 2.18 0.00 3.61 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 2.14 2.21 0.00 161 Q 8.09 4.04 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 162 Q 8.01 4.01 0.00 2.41 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 163 I 8.32 3.77 1.94 0.00 0.00 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 1.49 1.46 1.03 0.00 0.00 164 D 8.02 4.33 0.00 3.00 2.69 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 0.00 165 Y 7.89 3.83 0.00 3.18 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 0.00 166 A 8.00 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 0.00 167 R 8.01 3.86 0.00 1.95 2.09 0.00 3.00 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.91 0.00 168 Q 7.75 3.91 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 169 L 7.08 3.87 0.00 1.56 1.67 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 170 I 7.55 3.62 1.75 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.16 -0.37 0.00 0.00 171 E 8.62 3.95 0.00 2.20 1.80 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 2.37 2.51 0.00 172 E 7.46 3.67 0.00 1.96 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 2.50 0.00 173 K 7.59 4.33 0.00 1.79 1.80 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.65 7.81 174 I 8.66 4.01 1.91 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 1.08 0.60 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.