NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5284 8.1849 122.7568 55.2073 43.4078 175.9006 2 T 4.3568 9.1995 124.4109 62.2366 70.1563 168.5415 3 V 4.7344 9.3621 126.3352 61.0877 34.9661 173.8115 4 V 4.7526 8.6538 128.1305 60.9666 34.2025 173.7371 5 L 4.8601 8.6971 130.2940 53.6084 43.7816 174.5637 6 I 4.5363 8.5828 127.8325 59.5904 40.0087 174.3952 7 V 4.6706 8.7266 130.0828 61.5272 32.7709 173.2713 8 D 4.9448 8.7577 126.3978 52.9113 44.9226 175.0768 9 D 4.7033 8.8103 123.3705 53.7354 40.3103 175.9620 10 H 4.8121 8.5788 118.8551 54.0821 31.5267 174.1232 11 H 4.0431 8.8342 125.2785 59.2816 29.7865 176.6968 12 L 3.9701 8.1030 121.5681 58.4487 41.7682 179.0372 13 I 3.6743 7.6502 118.8278 64.5033 37.2183 178.5118 14 R 3.8474 7.8304 118.4456 59.2046 29.8385 179.0882 15 A 4.0368 8.4549 121.1468 54.7858 18.2430 179.9044 16 G 3.5112 8.2499 104.2074 47.9343 0.0000 175.7816 17 A 3.9527 8.0180 123.5752 54.5506 18.2975 179.5913 18 K 3.8160 8.0624 118.0859 59.6847 32.2736 178.8351 19 N 4.2861 8.2660 116.6739 56.1909 38.3943 176.8615 20 L 3.9146 8.0323 121.8713 58.6085 42.0502 179.2035 21 L 4.2782 8.3814 118.9679 57.7782 41.3765 179.3432 22 E 4.2087 8.4997 118.3432 59.0961 29.4467 179.2312 23 G 3.7048 8.1212 105.1183 47.0836 0.0000 175.0001 24 A 4.2830 7.8023 121.4671 51.7901 19.6555 177.1948 25 F 4.7948 7.5284 115.5910 55.5953 41.7584 175.8135 26 S 4.2869 9.0866 120.3964 61.4065 63.4343 176.4069 27 G 4.1865 7.9326 108.7535 45.8443 0.0000 172.2476 28 M 5.0392 8.1239 119.7553 53.4125 34.2925 174.7727 29 R 4.7784 9.3993 126.8109 54.4813 33.0929 174.0726 30 V 4.7312 9.1955 126.9528 61.2884 33.1777 174.5880 31 E 4.6976 8.9927 127.1139 54.4828 32.7961 175.1402 32 G 4.4413 8.3114 107.5214 44.5236 0.0000 172.0146 33 A 4.7564 8.9058 122.8872 50.3206 22.5883 176.7189 34 E 4.5293 9.1061 117.3059 56.4144 31.1801 177.0617 35 T 4.7053 7.2842 107.6455 58.6568 73.3131 174.5771 36 V 3.5182 8.3271 120.8261 66.5920 31.3783 178.1726 37 S 4.0931 7.9853 111.9424 61.5103 62.2765 175.6567 38 D 4.3580 8.5842 121.8654 57.1767 40.4446 178.5791 39 A 3.9724 8.3762 121.7477 55.2024 18.3162 179.7296 40 L 3.6035 8.3388 117.7060 57.6965 41.2290 179.5750 41 A 3.9213 8.0600 120.7928 54.9390 18.4118 179.3469 42 F 4.0467 8.3521 119.2134 61.5975 39.2432 177.4336 43 L 3.8223 7.7972 117.2370 57.6641 41.5729 178.9903 44 E 4.3395 8.1476 118.5543 59.1820 29.0760 178.3297 45 A 4.3096 7.1372 117.7621 52.3177 18.5764 177.6156 46 D 4.5738 7.8858 117.6721 55.8695 38.8986 174.1412 47 N 4.3071 7.1682 117.1365 52.8686 38.5081 174.8739 48 T 4.5431 8.1756 113.7337 60.4130 70.6592 174.4447 49 V 4.6132 7.8814 115.2335 60.0095 35.6267 175.2068 50 D 4.6843 8.9786 121.8885 56.2143 41.7842 176.7765 51 L 4.6239 7.5920 118.0086 54.0117 45.7469 173.4510 52 I 4.8436 8.7896 126.7989 59.5854 39.9104 174.3772 53 L 4.8692 8.7126 127.6658 53.1936 43.4898 175.2046 54 L 4.8690 8.6322 126.9554 52.7895 44.2770 175.2910 55 D 4.8249 8.9285 126.9699 54.6233 42.0339 175.5822 56 V 4.0717 7.8387 116.5751 59.8119 33.4354 175.4017 *63 A 4.3113 8.7925 127.6572 52.2742 20.8032 178.3974 64 I 4.0093 7.3824 114.7447 63.6242 37.5899 178.0796 65 D 4.4741 8.2204 118.9027 56.9767 40.9380 178.2483 66 G 3.6271 8.1662 105.9384 47.7752 0.0000 175.0635 67 L 3.9396 7.9012 122.8717 57.7494 42.0272 179.0698 68 V 3.6085 8.1955 118.4562 66.0298 31.4988 178.1458 69 R 3.9590 8.4238 118.2016 59.4439 29.7288 179.1353 70 L 4.1107 7.9939 117.6203 57.5190 41.8899 179.5772 71 K 4.1494 8.3158 118.5570 59.4552 31.8597 179.0094 72 R 3.8643 7.9961 118.0518 59.7793 29.9603 177.5121 73 F 4.3728 8.0122 118.5930 60.2896 40.0530 174.4632 74 D 4.2745 7.8270 114.7756 53.2354 42.6020 173.9895 75 P 4.5322 0.0000 0.0000 63.7655 31.5716 177.8046 76 S 4.3243 8.1429 112.6722 59.5069 63.3880 173.6952 77 N 4.8467 7.9721 119.8785 51.9446 39.3710 175.0823 78 A 4.3554 8.7075 125.9493 52.3028 20.0595 176.1521 79 V 4.8341 9.2744 121.5499 61.0199 34.7506 174.0609 80 A 5.1837 8.8851 129.5128 50.0359 22.0959 175.2754 81 L 4.6003 8.5123 121.4854 53.8662 43.4124 176.4865 82 I 4.8698 7.8701 114.0752 58.6208 36.2819 175.1120 *88 H 4.7123 8.0579 126.6910 56.9194 32.3380 174.7220 89 E 3.9560 8.2193 119.0624 59.1160 29.5297 178.0310 90 L 3.9544 7.9246 119.8314 58.4059 42.1182 178.5325 91 I 3.2278 7.4359 118.8950 64.3546 36.9865 178.1376 92 R 3.8367 8.2336 119.2171 59.3589 30.0755 178.2657 93 A 3.9713 8.6387 120.6441 55.0870 18.4013 179.2635 94 A 3.9678 8.4255 119.5517 55.5503 18.4871 179.8399 95 L 3.9644 7.9962 117.3193 58.0933 41.4458 179.7043 96 E 4.0029 7.9911 117.1313 59.0680 29.4800 178.4002 97 A 4.3781 7.6259 117.8024 52.3539 18.6436 177.8460 98 G 3.8579 7.9665 105.7536 45.2511 0.0000 174.0182 99 A 4.2342 7.7830 121.9672 52.3882 18.8250 178.1658 100 D 4.8135 9.7219 120.9796 52.8863 41.4670 176.4594 101 G 4.3829 7.0589 109.7458 46.5390 0.0000 172.0210 102 F 5.0332 9.0096 123.4222 57.2086 42.2075 173.5203 103 I 4.8856 8.7283 128.7299 58.7308 39.1459 174.1164 104 P 4.6629 0.0000 0.0000 62.7839 31.8122 177.7397 105 K 4.1252 8.5719 120.8243 58.8381 32.3167 178.6853 106 S 4.2402 8.0597 112.1136 60.0497 63.4361 174.6004 107 A 4.1560 7.3823 124.2668 51.9458 18.8611 176.9739 108 D 4.6679 8.4601 120.5350 52.0279 40.9513 175.4911 109 P 4.2063 0.0000 0.0000 66.3076 31.1983 178.8710 110 Q 3.9942 8.2825 116.2319 58.7860 28.6420 178.7967 111 V 3.4588 7.5764 118.8315 65.8894 31.4740 177.7294 112 L 3.8012 7.7893 119.3829 58.2475 41.9707 178.7988 113 I 3.8320 7.7905 119.5884 64.9029 37.0075 178.1503 114 H 4.3106 8.3198 116.5921 58.2752 28.5115 177.7337 115 A 3.8390 8.2832 123.2424 54.9165 18.0805 179.7851 116 V 3.4838 7.9738 116.9163 66.2236 31.6544 178.0874 117 S 4.2969 8.2532 114.8242 61.8740 62.7777 176.6812 118 L 4.0134 8.1191 121.1820 58.1961 41.4716 179.7392 119 I 4.3481 8.0442 121.1361 64.0085 36.8135 178.5650 120 L 4.1199 8.2822 119.1347 57.1742 41.4635 178.3123 121 E 4.4445 7.8307 116.4892 56.1530 29.6790 177.2313 122 G 3.9269 8.0809 108.0580 45.0131 0.0000 173.5297 123 E 4.5645 8.0482 119.9910 55.3806 32.0826 174.8720 124 I 5.2165 8.1631 119.9181 58.7597 40.3778 175.1003 125 F 4.9562 8.8732 128.0680 56.5309 41.5170 174.1581 126 L 4.8247 7.3998 124.2287 52.0048 45.5838 174.7381 127 P 4.3340 0.0000 0.0000 62.0138 32.3548 178.0743 128 R 3.9143 8.6173 117.9168 59.0292 29.8880 178.8510 129 S 4.0657 8.3938 112.8420 61.5460 62.6154 175.2434 130 Y 4.1224 7.6217 121.1291 59.2104 38.7597 175.7645 131 L 4.1720 8.1565 123.9596 54.6991 41.8297 176.1136 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 L 8.18 4.53 0.00 1.66 1.66 0.94 0.66 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 2 T 9.20 4.36 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 1.10 0.00 0.00 3 V 9.36 4.73 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 0.96 0.00 0.00 0.95 0.00 0.00 4 V 8.65 4.75 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 0.79 0.00 0.00 0.76 0.00 0.00 5 L 8.70 4.86 0.00 1.74 1.48 0.41 0.61 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 6 I 8.58 4.54 1.79 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 1.04 1.30 0.82 0.00 0.00 7 V 8.73 4.67 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 0.96 0.00 0.00 0.86 0.00 0.00 8 D 8.76 4.94 0.00 2.69 2.39 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 9 D 8.81 4.70 0.00 2.73 2.71 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 10 H 8.58 4.81 0.00 3.34 3.24 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 8.83 4.04 0.00 3.17 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.10 3.97 0.00 1.82 1.68 0.93 1.05 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 13 I 7.65 3.67 2.12 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.06 0.94 0.00 0.00 14 R 7.83 3.85 0.00 1.77 1.88 0.00 3.14 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 15 A 8.45 4.04 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 16 G 8.25 3.51 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 0.00 0.00 0.00 17 A 8.02 3.95 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 18 K 8.06 3.82 0.00 1.86 1.93 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.58 7.81 19 N 8.27 4.29 0.00 2.94 2.84 0.00 0.00 6.69 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 20 L 8.03 3.91 0.00 1.82 1.84 0.92 0.96 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 21 L 8.38 4.28 0.00 1.71 1.58 0.79 0.92 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 22 E 8.50 4.21 0.00 2.05 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 2.52 2.43 0.00 23 G 8.12 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.28 1.19 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 0.00 0.00 25 F 7.53 4.79 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.09 4.29 0.00 4.00 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 27 G 7.93 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.12 5.04 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 29 R 9.40 4.78 0.00 1.85 1.72 0.00 3.11 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 30 V 9.20 4.73 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 0.75 0.00 0.00 0.85 0.00 0.00 31 E 8.99 4.70 0.00 1.71 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 2.19 2.19 0.00 32 G 8.31 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 4.76 1.03 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 34 E 9.11 4.53 0.00 1.92 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 2.19 2.19 0.00 35 T 7.28 4.71 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 1.19 0.00 0.00 36 V 8.33 3.52 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 1.04 0.00 0.00 0.91 0.00 0.00 37 S 7.99 4.09 0.00 3.92 3.83 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 38 D 8.58 4.36 0.00 2.90 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 39 A 8.38 3.97 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 40 L 8.34 3.60 0.00 1.75 1.61 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.06 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.35 4.05 0.00 3.14 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 43 L 7.80 3.82 0.00 0.98 0.87 0.74 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.15 4.34 0.00 1.96 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 0.00 2.41 2.40 0.00 45 A 7.14 4.31 1.22 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 46 D 7.89 4.57 0.00 2.83 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.17 4.31 0.00 1.52 1.80 0.00 0.00 6.84 7.42 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 48 T 8.18 4.54 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 49 V 7.88 4.61 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 0.96 0.00 0.00 0.99 0.00 0.00 50 D 8.98 4.68 0.00 2.57 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.62 0.00 1.69 1.38 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.79 4.84 1.86 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 1.23 0.58 0.88 0.00 0.00 53 L 8.71 4.87 0.00 1.52 1.52 0.85 0.36 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 54 L 8.63 4.87 0.00 1.66 1.43 0.88 0.91 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 55 D 8.93 4.82 0.00 2.83 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 56 V 7.84 4.07 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 0.60 0.00 0.00 0.95 0.00 0.00 *63 A 8.79 4.31 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 64 I 7.38 4.01 1.89 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 1.56 0.94 0.93 0.00 0.00 65 D 8.22 4.47 0.00 2.79 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 66 G 8.17 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 67 L 7.90 3.94 0.00 1.77 1.90 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.20 3.61 2.22 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 1.08 0.00 0.00 1.03 0.00 0.00 69 R 8.42 3.96 0.00 2.08 1.99 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 70 L 7.99 4.11 0.00 1.63 1.76 0.90 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.32 4.15 0.00 1.88 1.88 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.56 1.61 7.81 72 R 8.00 3.86 0.00 2.07 2.23 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 73 F 8.01 4.37 0.00 3.11 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 74 D 7.83 4.27 0.00 2.58 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 75 P 0.00 4.53 0.00 2.08 2.09 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 76 S 8.14 4.32 0.00 4.01 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 77 N 7.97 4.85 0.00 2.71 2.84 0.00 0.00 6.90 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.71 4.36 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 79 V 9.27 4.83 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 0.83 0.00 0.00 1.00 0.00 0.00 80 A 8.89 5.18 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 0.00 0.00 0.00 81 L 8.51 4.60 0.00 0.93 1.06 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.87 4.87 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.61 0.82 0.00 0.00 *88 H 8.06 4.71 0.00 3.24 3.39 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.22 3.96 0.00 2.16 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 0.00 2.40 2.45 0.00 90 L 7.92 3.95 0.00 1.83 1.69 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.44 3.23 1.25 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.54 0.00 0.00 92 R 8.23 3.84 0.00 2.03 2.11 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 93 A 8.64 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.43 3.97 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 0.00 0.00 0.00 0.00 0.00 95 L 8.00 3.96 0.00 1.82 1.73 0.70 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.99 4.00 0.00 2.08 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 2.33 2.53 0.00 97 A 7.63 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 98 G 7.97 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 0.00 0.00 0.00 99 A 7.78 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 0.00 100 D 9.72 4.81 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.06 4.38 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 0.00 102 F 9.01 5.03 0.00 2.96 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 0.00 103 I 8.73 4.89 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.19 0.89 0.00 0.00 104 P 0.00 4.66 0.00 2.29 2.10 0.00 3.90 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 105 K 8.57 4.13 0.00 1.75 1.87 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.39 7.81 106 S 8.06 4.24 0.00 4.00 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 0.00 107 A 7.38 4.16 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 0.00 108 D 8.46 4.67 0.00 2.84 2.82 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 0.00 0.00 0.00 109 P 0.00 4.21 0.00 2.16 2.17 0.00 3.60 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 2.12 2.21 0.00 110 Q 8.28 3.99 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 111 V 7.58 3.46 2.16 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 0.60 0.00 0.00 0.95 0.00 0.00 112 L 7.79 3.80 0.00 1.74 1.76 0.87 0.98 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 0.00 113 I 7.79 3.83 1.90 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 1.60 0.85 0.57 0.00 0.00 114 H 8.32 4.31 0.00 3.21 3.33 0.00 5.62 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 0.00 115 A 8.28 3.84 0.79 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 0.00 116 V 7.97 3.48 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 0.81 0.00 0.00 0.96 0.00 0.00 117 S 8.25 4.30 0.00 4.18 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 0.00 118 L 8.12 4.01 0.00 1.94 1.82 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 119 I 8.04 4.35 1.89 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 1.79 1.92 0.93 0.00 0.00 120 L 8.28 4.12 0.00 1.77 1.74 0.73 0.78 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 0.00 121 E 7.83 4.44 0.00 2.15 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 2.35 2.36 0.00 122 G 8.08 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 0.00 123 E 8.05 4.56 0.00 2.12 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 0.00 2.33 2.47 0.00 124 I 8.16 5.22 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 1.25 1.59 0.98 0.00 0.00 125 F 8.87 4.96 0.00 3.20 2.98 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 0.00 126 L 7.40 4.82 0.00 1.33 1.30 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.33 0.00 2.16 2.03 0.00 3.38 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 2.04 2.33 0.00 128 R 8.62 3.91 0.00 1.99 2.20 0.00 3.02 0.00 0.00 3.40 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 129 S 8.39 4.07 0.00 4.01 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 0.00 130 Y 7.62 4.12 0.00 2.69 3.07 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 0.00 0.00 0.00 131 L 8.16 4.17 0.00 1.59 1.53 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.