NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2254 8.2649 123.5907 51.9153 20.0695 175.5689 5 E 3.9823 9.3798 122.6859 56.5087 29.2414 174.1421 6 F 4.8453 8.7177 125.5764 57.0577 42.3499 174.3009 7 D 4.4514 8.2647 130.9402 53.5702 38.9392 174.9161 8 A 3.8584 7.2468 123.0582 51.5096 19.2086 177.9069 9 D 4.4939 8.4525 123.4179 56.6299 41.7285 176.9992 10 V 4.4143 7.9160 118.6008 61.2297 35.6435 173.5389 11 I 4.7376 8.3413 127.5383 59.6743 39.9930 174.4080 12 V 4.5991 8.6581 127.7214 61.3715 33.8376 174.2463 13 D 5.0611 9.0744 127.2500 52.6839 41.6240 176.0006 14 A 4.0089 9.5865 130.7251 56.2662 18.6256 177.6855 15 R 3.8380 7.6430 114.8225 56.1938 28.6822 175.0142 16 D 4.4057 9.0058 126.4163 55.7428 39.1095 173.3040 17 C 5.1075 7.7471 115.1201 57.4658 31.3180 173.1310 18 I 3.8655 8.4771 125.4524 62.0643 36.6552 176.0601 19 M 3.7436 8.9003 125.6972 58.9435 31.8135 178.0147 20 G 3.7898 8.0208 104.5735 48.2941 0.0000 175.3430 21 R 3.9919 7.9551 120.0319 58.7118 29.9858 179.3040 22 V 3.6380 7.9436 117.8108 65.9782 31.5983 177.4723 23 A 4.1765 8.5358 120.9123 55.7068 18.1735 179.1780 24 S 4.0781 8.4849 111.3272 62.0104 62.2775 176.7865 25 Q 3.9987 7.8498 119.1793 59.0107 28.5497 178.7254 26 V 3.6068 8.2602 119.3104 65.8106 31.4968 177.8610 27 A 3.9966 8.5185 121.2341 55.0629 18.1189 178.8303 28 E 3.8952 7.9879 116.6005 59.7983 29.9472 179.1161 29 Q 4.1301 8.4703 117.7141 59.0083 28.9768 178.5928 30 A 4.8100 7.9792 122.9647 54.3811 18.1829 178.8432 31 L 4.3895 7.7820 115.0390 55.9148 42.1468 177.6993 32 D 4.9365 8.4934 119.7419 53.7966 41.4183 178.0445 33 G 4.1001 8.0224 107.7565 45.4815 0.0000 174.7672 34 E 4.0227 7.5838 118.7827 56.7497 30.2338 175.7423 35 T 4.8834 8.3508 119.4690 62.0952 70.4542 173.8879 36 V 5.0147 8.5146 125.7333 60.9980 35.3937 174.3158 37 A 5.3598 8.7589 126.6373 50.4224 22.2117 175.1556 38 V 4.1819 8.9433 123.9491 62.4225 32.8979 175.1928 39 V 4.6151 8.7699 127.9940 61.5280 34.7267 174.7914 40 N 4.5423 9.3114 120.7718 54.1167 36.5933 176.9090 41 A 3.9489 8.0920 122.4553 55.4819 18.6910 180.8059 42 E 3.5536 8.0483 112.7749 59.0196 29.5774 178.1778 43 R 4.7293 8.3930 117.9476 55.9534 31.4398 176.2126 44 A 4.8168 8.4317 122.6556 51.6332 20.1355 177.6142 45 V 5.6413 8.2371 117.8042 59.1020 35.2570 174.5350 46 I 4.8886 8.0552 120.9921 59.7496 41.2720 174.4936 47 T 4.5435 8.5909 125.7777 64.1402 69.4736 174.0814 48 G 3.6297 7.6677 109.5131 44.4153 0.0000 173.6496 49 R 4.2674 8.5295 121.2967 55.1911 30.5803 177.0413 50 E 3.8304 8.5003 127.6948 59.4515 29.6297 178.2452 51 E 3.9410 8.2336 116.8044 59.5837 29.8372 179.0824 52 Q 4.1308 8.0227 116.5769 59.6703 28.6649 177.9572 53 I 3.7110 7.8416 122.5000 64.2457 37.2405 178.3735 54 V 3.6616 8.5146 118.9529 66.1880 31.3654 177.8427 55 E 3.9970 8.1963 119.1987 58.8647 29.3176 178.6407 56 K 3.8811 8.2478 120.0514 59.5803 32.0367 178.4486 57 Y 3.8066 8.0129 115.5575 60.4979 38.2270 177.3663 58 E 4.1541 8.2921 119.9996 59.1719 29.4865 179.0816 59 K 3.9374 7.8384 119.2127 59.6967 32.0254 179.0742 60 R 3.4145 7.2096 117.0779 58.8041 29.7978 178.8333 61 V 3.8807 7.3438 117.5798 65.7161 31.6134 177.4033 62 D 4.4844 7.7943 117.4428 55.8138 41.2942 177.1772 63 I 3.6283 7.2182 119.5971 60.7575 37.5293 175.6527 64 G 4.4186 7.7094 111.3598 44.7772 0.0000 170.8956 65 N 4.5603 7.4385 113.9377 52.9976 39.6222 174.5890 66 D 4.4351 8.8815 116.6111 57.7355 41.1275 177.2142 67 N 4.3505 8.2895 117.0560 54.0061 39.2281 172.6107 68 G 4.1846 8.0915 112.0532 45.2970 0.0000 173.2125 69 Y 4.5341 8.2169 121.3774 54.8394 38.5664 173.6740 70 F 4.3137 8.3600 122.1067 58.4149 40.1141 173.3939 71 Y 4.2637 8.0771 128.9912 54.3638 41.0975 173.3663 72 P 4.1347 0.0000 0.0000 62.7364 32.0234 176.0471 73 K 4.5176 8.2836 117.3296 56.9338 35.0303 177.0081 74 R 4.2769 7.7536 117.7962 54.9404 30.4174 175.7931 75 P 4.0468 0.0000 0.0000 65.1789 29.4564 176.8179 76 D 3.9871 6.6804 115.2140 57.4330 41.9195 176.8953 77 G 3.7426 7.7408 109.6706 45.9726 0.0000 172.9795 *78 I 4.1512 7.8678 117.9950 59.6005 37.7161 175.7696 79 F 4.0486 8.0562 122.6628 61.2969 39.2738 177.5492 80 K 4.1279 7.6756 117.8548 59.3526 31.9585 178.9010 81 R 3.9343 8.3516 119.2982 59.7047 29.8402 178.3289 82 T 3.9190 7.8830 114.3744 66.9727 68.6814 176.1540 83 I 3.9742 7.9476 121.3499 64.4991 37.1368 178.3042 84 R 3.6990 8.2674 119.6958 59.3244 29.5454 178.0460 85 G 3.9315 7.9427 102.2037 45.9433 0.0000 173.5841 86 M 4.7761 7.9966 119.2641 54.5810 33.0252 175.2984 87 L 4.8481 7.8798 119.0675 52.3332 45.4846 176.1022 88 P 4.6067 0.0000 0.0000 62.0982 29.5589 176.4896 89 H 4.4689 8.1483 115.4973 57.6881 28.8631 176.8788 90 K 4.3984 7.6717 118.2707 56.1887 32.5997 176.2151 91 K 4.6552 7.4567 118.8518 54.6190 35.9991 175.5733 92 Q 3.8042 8.8154 121.1299 60.0634 28.7789 179.1436 93 R 3.9038 8.1216 117.9305 59.9638 30.1942 178.3094 94 G 4.4496 8.1041 105.3899 47.6393 0.0000 174.7096 95 R 4.0362 8.4001 121.5131 59.1913 29.8551 177.9752 96 E 3.9946 8.0960 116.3886 59.7644 29.7237 178.7484 97 A 4.1927 8.1663 121.3813 54.7459 18.5015 178.9363 98 F 4.1915 8.5501 118.2088 62.0891 39.2620 177.4960 99 E 3.9651 9.0297 117.2705 58.2595 29.0585 177.6134 100 S 4.9463 8.2205 114.1519 58.0527 63.7128 173.3841 101 V 5.0496 7.6958 119.6740 62.3384 34.4937 174.7314 102 R 4.3376 9.0580 125.0029 54.4281 34.5570 173.9637 103 V 4.6398 7.9003 122.4927 61.4417 33.4255 174.2929 104 Y 4.7635 9.2534 124.2880 56.0230 42.2730 174.3414 105 L 4.4780 8.6340 121.6665 54.7777 42.5551 178.2256 106 G 3.8844 9.5236 113.3294 45.6281 0.0000 172.6577 107 N 4.8943 8.5080 121.7653 51.3820 40.8514 172.9842 108 P 4.3250 0.0000 0.0000 63.6532 32.1018 175.7960 109 Y 4.6231 7.1619 116.5930 57.1222 39.3362 175.1214 110 D 4.4906 8.6540 120.9849 57.1073 41.3078 177.2021 111 E 4.2699 7.9642 117.0516 56.0810 30.3470 175.2253 112 D 4.8943 8.2767 119.0120 52.2064 43.2639 176.5952 113 G 4.0091 7.9080 112.1286 46.9494 0.0000 172.6643 114 E 4.5236 9.0719 120.3811 55.1927 32.5439 175.1716 115 V 4.5456 8.0227 119.2465 60.6827 32.5430 175.0717 116 L 4.1352 8.4884 127.6216 54.4838 42.4822 177.4952 117 D 4.4005 8.5390 121.6220 55.6973 41.3370 178.4804 118 G 4.1008 8.7491 109.5428 46.5206 0.0000 174.8734 119 T 4.1633 7.6120 109.6234 63.8231 70.0938 175.0655 120 S 4.6213 8.0918 117.2864 57.9958 63.3094 172.7573 121 L 4.5587 8.8132 129.1746 53.2268 43.9729 175.2280 122 D 4.5612 8.5197 126.1462 52.9833 41.0453 176.9048 123 R 3.9783 8.4710 126.7643 58.7832 30.2407 178.1022 124 L 4.2438 8.0453 116.2828 56.3274 41.9832 177.5026 125 S 4.7676 7.9145 112.2194 58.0605 63.4939 173.5137 126 N 5.2353 7.8101 116.6906 51.8329 42.2081 174.1879 127 I 4.6852 8.4159 118.6444 60.6410 39.9243 176.0726 128 K 4.5666 7.8941 120.9226 54.2891 31.4023 175.0383 129 F 5.3524 7.5210 117.1933 55.5954 41.2735 173.4384 130 V 4.6329 8.9882 118.9297 61.6153 35.7388 173.8111 131 T 5.1022 8.8901 120.1765 61.7851 70.1083 176.2742 132 L 3.8993 8.7534 126.3064 57.8051 41.5085 180.3344 133 G 3.5554 7.8313 105.2017 47.7997 0.0000 175.4468 134 E 4.0652 8.1836 120.9524 59.2037 29.5026 179.3153 135 I 3.6376 7.9414 119.7172 64.7189 37.2349 178.5000 136 S 4.6580 8.7002 117.9957 61.1172 62.6546 176.9552 137 E 4.0683 8.7919 121.4490 59.8325 29.0457 179.5141 138 T 3.9355 7.6617 114.1776 66.5852 68.6492 176.4976 139 L 4.2018 8.2105 119.7925 56.2413 41.7095 178.2716 140 G 3.9700 8.1752 106.8309 44.6239 0.0000 173.8586 141 A 4.1603 7.4623 122.2671 52.4020 18.9545 176.3611 142 N 4.5999 8.4634 118.2810 52.3279 39.4326 176.6896 143 K 2.4800 7.8725 127.5693 55.5351 29.9036 176.8862 144 T 3.9066 7.3329 116.4376 63.7292 68.2296 173.8799 145 W 4.4762 7.2235 119.5379 56.5038 28.3906 175.8806 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 4 A 8.26 4.23 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 5 E 9.38 3.98 0.00 2.28 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 0.00 2.24 2.40 0.00 6 F 8.72 4.85 0.00 3.02 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 7 D 8.26 4.45 0.00 2.59 2.41 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 8 A 7.25 3.86 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 0.00 0.00 0.00 0.00 0.00 9 D 8.45 4.49 0.00 2.51 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 10 V 7.92 4.41 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 0.96 0.00 0.00 0.94 0.00 0.00 11 I 8.34 4.74 1.74 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.32 0.93 0.00 0.00 12 V 8.66 4.60 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 13 D 9.07 5.06 0.00 2.73 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 14 A 9.59 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.64 3.84 0.00 1.89 2.02 0.00 3.42 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 16 D 9.01 4.41 0.00 2.88 2.64 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 17 C 7.75 5.11 0.00 3.14 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 18 I 8.48 3.87 1.87 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 1.16 0.85 0.90 0.00 0.00 19 M 8.90 3.74 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.91 0.00 20 G 8.02 3.79 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 0.00 0.00 0.00 21 R 7.96 3.99 0.00 2.06 2.01 0.00 3.13 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 22 V 7.94 3.64 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 1.29 0.00 0.00 1.07 0.00 0.00 23 A 8.54 4.18 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 24 S 8.48 4.08 0.00 3.89 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 25 Q 7.85 4.00 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 26 V 8.26 3.61 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 1.07 0.00 0.00 1.06 0.00 0.00 27 A 8.52 4.00 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.99 3.90 0.00 2.00 2.20 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 2.35 2.44 0.00 29 Q 8.47 4.13 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 30 A 7.98 4.81 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.78 4.39 0.00 1.89 1.75 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.49 4.94 0.00 2.82 2.64 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 33 G 8.02 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.58 4.02 0.00 2.16 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 35 T 8.35 4.88 4.14 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 0.77 0.00 0.00 36 V 8.51 5.01 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 1.01 0.00 0.00 0.96 0.00 0.00 37 A 8.76 5.36 1.68 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 0.00 0.00 38 V 8.94 4.18 1.68 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 0.15 0.00 0.00 0.73 0.00 0.00 39 V 8.77 4.62 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 1.14 0.00 0.00 1.03 0.00 0.00 40 N 9.31 4.54 0.00 2.92 2.90 0.00 0.00 6.99 6.25 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 41 A 8.09 3.95 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 42 E 8.05 3.55 0.00 1.16 1.49 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 2.26 2.11 0.00 43 R 8.39 4.73 0.00 1.88 1.98 0.00 3.15 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 44 A 8.43 4.82 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 45 V 8.24 5.64 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 0.94 0.00 0.00 1.05 0.00 0.00 46 I 8.06 4.89 1.86 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 1.37 1.47 0.85 0.00 0.00 47 T 8.59 4.54 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 1.33 0.00 0.00 48 G 7.67 3.63 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 0.00 0.00 0.00 49 R 8.53 4.27 0.00 1.89 1.85 0.00 3.22 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 50 E 8.50 3.83 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 51 E 8.23 3.94 0.00 1.95 2.02 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 2.32 2.45 0.00 52 Q 8.02 4.13 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 53 I 7.84 3.71 2.06 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 1.48 0.74 1.02 0.00 0.00 54 V 8.51 3.66 2.17 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 1.03 0.00 0.00 0.99 0.00 0.00 55 E 8.20 4.00 0.00 2.30 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 0.00 2.29 2.30 0.00 56 K 8.25 3.88 0.00 1.80 1.87 0.00 1.57 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.02 1.28 7.81 57 Y 8.01 3.81 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 58 E 8.29 4.15 0.00 2.22 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 2.38 2.71 0.00 59 K 7.84 3.94 0.00 1.91 1.81 0.00 1.43 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.36 7.81 60 R 7.21 3.41 0.00 1.23 0.84 0.00 2.31 0.00 0.00 2.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.38 0.00 61 V 7.34 3.88 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 0.90 0.00 0.00 1.17 0.00 0.00 62 D 7.79 4.48 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.22 3.63 1.34 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.41 0.49 0.00 0.00 64 G 7.71 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 0.00 0.00 0.00 0.00 65 N 7.44 4.56 0.00 2.92 2.94 0.00 0.00 5.95 8.07 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 66 D 8.88 4.44 0.00 2.71 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 67 N 8.29 4.35 0.00 2.74 3.06 0.00 0.00 7.20 7.96 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 68 G 8.09 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.22 4.53 0.00 2.92 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 70 F 8.36 4.31 0.00 3.04 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 71 Y 8.08 4.26 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.13 0.00 1.82 1.73 0.00 2.46 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.56 0.00 73 K 8.28 4.52 0.00 1.85 1.90 0.00 1.73 0.00 0.00 2.05 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.44 7.81 74 R 7.75 4.28 0.00 1.83 1.83 0.00 3.60 0.00 0.00 3.66 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 75 P 0.00 4.05 0.00 1.94 1.86 0.00 3.18 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 76 D 6.68 3.99 0.00 2.77 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 77 G 7.74 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 *78 I 7.87 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.91 0.00 0.00 79 F 8.06 4.05 0.00 3.28 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 80 K 7.68 4.13 0.00 1.88 1.98 0.00 1.55 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.39 1.72 7.81 81 R 8.35 3.93 0.00 1.95 2.12 0.00 3.23 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 82 T 7.88 3.92 4.35 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 1.13 0.00 0.00 83 I 7.95 3.97 2.32 0.00 0.00 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 1.68 1.28 1.12 0.00 0.00 84 R 8.27 3.70 0.00 1.72 1.87 0.00 2.41 0.00 0.00 2.69 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 85 G 7.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.00 4.78 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 87 L 7.88 4.85 0.00 1.69 1.56 1.22 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.61 0.00 2.21 2.21 0.00 3.73 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 2.08 1.96 0.00 89 H 8.15 4.47 0.00 3.06 3.11 0.00 5.49 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 7.67 4.40 0.00 1.59 1.76 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.08 7.81 91 K 7.46 4.66 0.00 1.76 1.67 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.54 7.81 92 Q 8.82 3.80 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.70 2.47 0.00 93 R 8.12 3.90 0.00 1.93 1.94 0.00 3.29 0.00 0.00 3.36 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 94 G 8.10 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 8.40 4.04 0.00 2.08 2.17 0.00 3.17 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.83 0.00 96 E 8.10 3.99 0.00 2.25 2.05 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 2.39 2.50 0.00 97 A 8.17 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.55 4.19 0.00 3.11 3.36 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 99 E 9.03 3.97 0.00 2.17 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 2.43 2.68 0.00 100 S 8.22 4.95 0.00 4.03 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 0.00 101 V 7.70 5.05 2.17 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 0.79 0.00 0.00 1.07 0.00 0.00 102 R 9.06 4.34 0.00 1.12 0.87 0.00 2.21 0.00 0.00 2.46 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.51 0.00 103 V 7.90 4.64 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 0.58 0.00 0.00 0.71 0.00 0.00 104 Y 9.25 4.76 0.00 2.79 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 0.00 105 L 8.63 4.48 0.00 1.59 1.68 1.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 106 G 9.52 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.51 4.89 0.00 2.64 2.68 0.00 0.00 6.82 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 0.00 108 P 0.00 4.32 0.00 1.75 1.89 0.00 3.42 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.89 0.00 109 Y 7.16 4.62 0.00 2.92 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 0.00 110 D 8.65 4.49 0.00 2.69 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 0.00 111 E 7.96 4.27 0.00 1.89 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 2.28 2.29 0.00 112 D 8.28 4.89 0.00 2.59 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 0.00 113 G 7.91 4.01 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 0.00 0.00 0.00 114 E 9.07 4.52 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 115 V 8.02 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 116 L 8.49 4.14 0.00 1.70 1.61 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.54 4.40 0.00 2.71 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 0.00 118 G 8.75 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 T 7.61 4.16 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 1.33 0.00 0.00 120 S 8.09 4.62 0.00 3.90 3.78 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 0.00 0.00 0.00 0.00 121 L 8.81 4.56 0.00 1.47 1.45 0.83 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.52 4.56 0.00 2.76 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 0.00 123 R 8.47 3.98 0.00 1.83 2.04 0.00 3.26 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 124 L 8.05 4.24 0.00 1.80 1.73 0.93 0.84 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 0.00 125 S 7.91 4.77 0.00 3.87 3.86 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 0.00 126 N 7.81 5.24 0.00 2.79 2.81 0.00 0.00 6.79 7.45 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 0.00 127 I 8.42 4.69 1.91 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 1.49 0.66 0.89 0.00 0.00 128 K 7.89 4.57 0.00 1.74 1.98 0.00 1.69 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.43 7.81 129 F 7.52 5.35 0.00 2.95 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 0.00 130 V 8.99 4.63 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.90 0.00 0.00 131 T 8.89 5.10 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 1.35 0.00 0.00 132 L 8.75 3.90 0.00 1.58 1.59 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 133 G 7.83 3.56 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 0.00 0.00 0.00 134 E 8.18 4.07 0.00 2.22 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 2.45 2.47 0.00 135 I 7.94 3.64 1.91 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.63 0.65 0.00 0.00 136 S 8.70 4.66 0.00 4.13 4.15 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 0.00 137 E 8.79 4.07 0.00 2.28 2.05 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 2.40 2.89 0.00 138 T 7.66 3.94 4.41 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 1.24 0.00 0.00 139 L 8.21 4.20 0.00 1.81 1.82 1.10 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.18 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 0.00 141 A 7.46 4.16 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 0.00 0.00 142 N 8.46 4.60 0.00 2.68 2.72 0.00 0.00 6.97 6.68 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 0.00 143 K 7.87 2.48 0.00 1.18 1.17 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.48 0.21 7.81 144 T 7.33 3.91 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 1.61 0.00 0.00 145 W 7.22 4.48 0.00 3.47 3.19 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 0.00 * Residues marked with a * may have inaccurate shift predictions.