NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 A 4.3916 8.2644 123.5846 51.6863 19.8659 175.9252 17 N 4.8467 7.6128 118.2369 51.9760 44.5242 173.4827 18 P 4.3173 0.0000 0.0000 65.8160 32.2958 177.6839 19 N 4.4302 8.1248 114.4786 56.2672 38.5723 176.8751 20 E 3.9312 8.2581 120.0085 59.2098 29.6674 178.5190 21 A 3.8190 8.5499 121.0580 55.2871 18.2922 178.7212 22 Y 4.3385 8.0380 116.6644 61.3280 38.9257 178.4730 23 R 3.8968 7.9078 117.3235 59.2425 30.3430 178.3154 24 H 4.2302 8.0427 118.0186 59.3842 29.8568 178.4385 25 Y 4.4932 7.6032 116.3885 58.3350 37.4846 178.3702 *27 K 3.8662 7.9989 120.8676 56.3632 34.4726 177.9574 28 K 4.0034 8.1231 119.3566 59.9294 31.7521 178.7229 29 L 4.1197 7.7500 117.5750 57.2300 41.5528 178.9507 30 S 4.2645 7.7769 112.9616 60.0148 63.6289 174.5677 31 Y 4.6592 7.7091 120.2533 58.7451 38.6463 174.7624 32 E 5.4047 8.0035 115.2800 54.7428 33.3312 174.9298 33 T 4.8950 8.7782 113.9310 60.5838 71.9693 171.9676 34 D 5.4051 8.3974 124.0319 51.4381 42.7910 177.1333 35 I 3.8734 8.6113 118.2245 64.5589 36.9472 178.1552 36 A 3.9445 8.0479 120.9196 55.4809 18.2834 179.0571 37 D 4.3243 8.0568 116.8950 57.5024 40.9756 179.0713 38 L 4.0087 7.9035 120.1660 58.1622 42.1486 178.7269 39 S 4.4371 8.6871 113.5490 61.7053 62.2709 176.2375 40 I 3.7052 7.9737 122.2988 64.4532 36.9885 177.9376 41 D 4.4236 8.0363 119.4812 57.7246 40.8272 179.0517 42 I 3.7823 7.8721 120.0062 64.2404 36.8763 178.4969 43 K 3.9782 7.8836 119.2883 59.3970 32.2914 178.4137 44 K 4.2346 8.3726 116.8025 56.6139 32.0722 177.1897 45 G 3.9133 7.5082 105.4090 46.5870 0.0000 173.1172 46 Y 4.2764 7.5641 119.4015 58.1814 38.8801 176.1046 47 E 4.2621 8.4902 123.3676 56.2798 30.4573 175.9615 48 G 3.7053 5.3800 106.5655 46.0272 0.0000 173.0774 49 I 5.2998 7.1037 112.3997 59.1092 41.6286 175.2486 50 I 4.3380 8.4800 122.6784 59.7501 40.6540 174.6968 51 V 4.1944 8.3531 128.4965 62.5817 32.5716 174.6033 52 V 4.6685 8.8134 128.9073 61.0768 34.2200 173.6888 53 D 3.6731 8.8842 128.2918 52.8087 41.9667 176.8365 54 V 4.0581 7.6863 125.7806 63.7192 32.6818 176.3146 55 R 4.3339 7.6172 118.9488 55.8616 30.7440 176.3668 56 D 4.5667 8.4985 118.2643 54.1357 42.7058 177.4568 57 A 3.9754 8.5529 123.2530 55.5212 18.4163 179.8394 58 E 3.9106 8.2232 116.9127 59.4202 29.7086 178.6704 59 A 4.1653 8.1292 120.3569 55.5075 18.2855 178.8412 60 Y 3.8891 7.8605 117.0622 60.5806 38.9110 177.7526 61 K 4.2204 8.0829 119.8739 59.1475 32.3647 178.4226 62 E 4.1400 8.1764 118.6480 57.5200 29.7746 176.9407 63 C 4.8210 6.8114 112.5344 58.4693 32.6025 172.2842 64 H 4.5561 7.0804 115.2236 54.4712 30.8117 172.9451 65 I 3.5399 8.0396 121.3930 60.1881 37.1757 174.4338 66 P 4.2860 0.0000 0.0000 64.6143 31.5187 176.4059 67 T 3.3646 8.6865 110.3592 62.0354 67.3377 171.2867 68 A 4.7900 7.6946 123.1344 51.6032 20.0135 177.5606 69 I 4.3293 8.7446 114.7858 59.5250 40.6858 174.3823 70 S 4.3151 7.7628 118.0559 56.9609 63.2918 174.3860 71 I 4.4286 8.3456 128.1927 58.7608 39.5906 171.5807 72 P 4.3425 0.0000 0.0000 62.9124 31.7266 175.9071 73 G 3.9460 9.0411 114.0400 49.2171 0.0000 175.6381 74 N 4.8220 7.8966 115.5679 52.4211 37.1289 175.1753 75 K 4.4151 7.9604 116.1285 56.5182 33.6124 175.6185 76 I 3.8748 7.5680 119.0503 60.8145 37.0850 174.5535 77 N 4.7500 7.7927 122.5004 52.1675 40.0185 174.6455 78 E 4.2246 8.5654 115.3997 58.6097 29.8706 178.9574 79 D 4.4319 8.0515 118.0454 56.8326 41.0849 177.1317 80 T 4.3299 7.7578 113.1268 63.8881 68.9374 175.0394 81 T 4.6110 7.4270 111.0361 60.9366 69.3098 176.1175 82 K 4.0874 7.7559 122.5502 60.1674 32.6902 178.2506 83 R 4.2299 7.9156 115.7179 56.6392 30.5359 176.0610 84 L 4.4203 7.3445 119.4044 53.4623 42.8343 176.3455 85 S 4.3298 8.5850 118.1869 57.9750 62.6729 174.4561 86 K 4.1562 8.5905 125.7561 57.4017 31.7310 177.5456 87 E 4.1851 7.9986 119.3015 57.5878 29.8589 176.6214 88 K 4.6520 7.6918 117.6282 54.8430 34.7659 176.0208 89 V 4.3719 8.5320 122.3270 61.7631 33.0440 175.1658 90 I 4.2723 8.3765 129.4399 61.1245 38.6350 175.2744 91 I 5.4915 8.7169 126.6215 58.8110 39.8831 175.0330 92 T 4.9251 8.5516 117.6878 60.5645 71.3631 173.2677 93 Y 4.9196 7.7776 118.3152 56.4971 41.0735 173.8706 94 C 5.0602 8.5436 123.1257 56.0978 45.9487 173.8216 95 W 4.1350 9.2359 114.2694 59.3465 29.6265 176.7159 96 G 4.3630 7.6391 106.3318 44.7602 0.0000 171.3867 97 P 4.1468 0.0000 0.0000 65.1768 31.3793 177.1595 98 A 4.2796 7.9354 118.5313 52.6916 18.9537 177.3146 99 C 4.9120 7.8762 115.9040 55.2631 41.6305 173.5621 100 N 4.6727 8.4841 120.0060 53.4028 39.3769 177.5295 101 G 3.9638 8.1136 107.5630 47.9203 0.0000 175.2287 102 A 4.0206 8.0473 123.2839 54.9786 18.5413 179.7274 103 T 3.8148 7.8285 113.5192 66.6565 68.6868 176.8069 104 K 3.8721 8.5691 120.4089 59.5495 32.1720 178.9995 105 A 3.9377 8.4883 120.9405 55.3286 18.2165 179.2854 106 A 4.1114 8.4039 119.1121 55.4587 18.3131 179.7403 107 A 3.9522 7.8941 118.7847 55.4137 18.4780 180.0798 108 K 3.8722 7.8881 116.4890 59.4488 32.0014 179.7685 109 F 4.1731 8.3615 117.9743 60.5585 39.0488 177.6588 110 A 4.4899 8.4223 121.9147 54.7467 17.9139 179.4682 111 Q 4.0636 8.2220 117.5355 58.7135 29.1323 177.2211 112 L 4.6028 7.5866 117.8939 54.2486 41.7601 177.0808 113 G 3.8307 7.8225 106.1527 46.1232 0.0000 173.7520 114 F 4.5851 8.3410 117.8905 55.7247 41.5851 175.6562 115 R 4.7015 8.4731 123.1033 55.5150 28.3853 175.6731 116 V 4.4603 7.8386 121.7653 60.9844 33.8108 176.4627 117 K 4.7661 8.6301 122.7154 55.4866 35.9536 174.6044 118 E 4.7743 8.9422 125.7869 55.6960 31.9367 175.5720 119 L 4.8395 8.7761 125.2568 53.5214 42.9901 175.4492 120 I 3.6630 8.1595 121.5292 61.8622 37.6836 175.1467 121 G 3.1518 9.8661 116.7378 44.2349 0.0000 175.0492 122 G 4.2630 7.7691 107.2346 45.0101 0.0000 173.3239 123 I 3.6641 8.0714 118.4170 64.5233 36.9713 177.6513 124 E 4.0829 8.6885 120.3745 60.0040 29.6158 178.7815 125 Y 4.4558 8.1159 115.9958 60.6611 37.9763 177.8311 126 W 4.1296 8.3951 129.4320 60.4991 30.5985 177.9799 127 R 4.0946 8.4151 117.0753 59.6143 29.6803 178.7544 128 K 3.9851 7.4964 115.0415 59.2011 32.0043 178.6912 129 E 4.1354 7.3535 116.4204 58.4027 30.2582 175.7672 130 N 4.9206 7.4873 113.5683 51.2275 42.0297 173.7671 131 G 4.1304 8.1904 106.7782 44.2337 0.0000 173.7012 132 L 4.4652 8.2423 121.7796 54.5357 42.7945 176.9887 133 E 4.1563 8.4945 119.7117 56.9470 29.7942 174.3937 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 16 A 8.26 4.39 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 17 N 7.61 4.85 0.00 2.81 2.76 0.00 0.00 7.04 6.82 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 18 P 0.00 4.32 0.00 2.21 2.12 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 19 N 8.12 4.43 0.00 2.85 2.92 0.00 0.00 6.69 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 20 E 8.26 3.93 0.00 2.05 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 2.35 2.38 0.00 21 A 8.55 3.82 1.60 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 0.00 0.00 22 Y 8.04 4.34 0.00 3.08 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.91 3.90 0.00 2.00 1.96 0.00 3.25 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 24 H 8.04 4.23 0.00 3.16 3.10 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.60 4.49 0.00 3.03 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 *27 K 8.00 3.87 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.50 7.81 28 K 8.12 4.00 0.00 1.83 2.01 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.28 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.57 7.81 29 L 7.75 4.12 0.00 1.63 1.70 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.78 4.26 0.00 3.79 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 31 Y 7.71 4.66 0.00 3.22 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 32 E 8.00 5.40 0.00 1.99 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 2.53 2.33 0.00 33 T 8.78 4.89 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 1.31 0.00 0.00 34 D 8.40 5.41 0.00 2.80 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 35 I 8.61 3.87 1.90 0.00 0.00 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 1.76 1.01 0.85 0.00 0.00 36 A 8.05 3.94 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 37 D 8.06 4.32 0.00 2.86 2.76 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 38 L 7.90 4.01 0.00 1.94 2.03 0.89 0.71 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 39 S 8.69 4.44 0.00 3.93 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 40 I 7.97 3.71 2.02 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 1.82 0.69 0.91 0.00 0.00 41 D 8.04 4.42 0.00 2.99 2.90 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 42 I 7.87 3.78 2.03 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.98 0.00 0.00 43 K 7.88 3.98 0.00 2.06 1.97 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.61 7.81 44 K 8.37 4.23 0.00 2.01 1.87 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 45 G 7.51 3.91 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 0.00 0.00 0.00 46 Y 7.56 4.28 0.00 2.87 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 47 E 8.49 4.26 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 48 G 5.38 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 49 I 7.10 5.30 1.90 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 1.48 0.73 1.13 0.00 0.00 50 I 8.48 4.34 1.74 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 1.06 0.54 0.82 0.00 0.00 51 V 8.35 4.19 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 1.01 0.00 0.00 0.90 0.00 0.00 52 V 8.81 4.67 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 0.86 0.00 0.00 0.73 0.00 0.00 53 D 8.88 3.67 0.00 2.63 2.45 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 54 V 7.69 4.06 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 1.06 0.00 0.00 0.86 0.00 0.00 55 R 7.62 4.33 0.00 1.67 1.64 0.00 2.60 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 56 D 8.50 4.57 0.00 2.80 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 57 A 8.55 3.98 1.30 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 0.00 0.00 58 E 8.22 3.91 0.00 2.14 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 2.43 2.69 0.00 59 A 8.13 4.17 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.86 3.89 0.00 2.92 3.09 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 0.00 0.00 0.00 61 K 8.08 4.22 0.00 2.12 1.89 0.00 1.90 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.59 7.81 62 E 8.18 4.14 0.00 2.24 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 2.51 0.00 63 C 6.81 4.82 0.00 2.96 2.87 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 0.00 0.00 0.00 64 H 7.08 4.56 0.00 3.24 2.96 0.00 5.66 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.04 3.54 1.25 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 -0.30 -0.07 -0.43 0.00 0.00 66 P 0.00 4.29 0.00 2.07 2.05 0.00 3.57 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 2.22 2.13 0.00 67 T 8.69 3.36 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 A 7.69 4.79 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.74 4.33 1.76 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.81 0.88 0.00 0.00 70 S 7.76 4.32 0.00 2.72 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 71 I 8.35 4.43 1.84 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 1.13 0.82 0.81 0.00 0.00 72 P 0.00 4.34 0.00 1.86 1.97 0.00 3.60 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 73 G 9.04 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 0.00 0.00 0.00 74 N 7.90 4.82 0.00 2.79 2.89 0.00 0.00 5.69 7.13 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 75 K 7.96 4.42 0.00 1.61 1.89 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.32 7.81 76 I 7.57 3.87 1.55 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 0.05 0.00 0.00 77 N 7.79 4.75 0.00 2.64 2.84 0.00 0.00 6.57 7.54 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 78 E 8.57 4.22 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 79 D 8.05 4.43 0.00 2.64 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 80 T 7.76 4.33 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 1.14 0.00 0.00 81 T 7.43 4.61 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 1.08 0.00 0.00 82 K 7.76 4.09 0.00 2.05 2.19 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.58 1.43 7.81 83 R 7.92 4.23 0.00 1.83 2.02 0.00 3.19 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 84 L 7.34 4.42 0.00 1.90 1.69 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.59 4.33 0.00 3.87 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 86 K 8.59 4.16 0.00 1.59 1.57 0.00 1.48 0.00 0.00 1.42 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.86 7.81 87 E 8.00 4.19 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 88 K 7.69 4.65 0.00 1.65 1.76 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.33 7.81 89 V 8.53 4.37 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 1.06 0.00 0.00 0.99 0.00 0.00 90 I 8.38 4.27 1.45 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 0.09 -0.05 -0.21 0.00 0.00 91 I 8.72 5.49 1.86 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 0.92 1.18 0.94 0.00 0.00 92 T 8.55 4.93 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 93 Y 7.78 4.92 0.00 2.97 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 94 C 8.54 5.06 0.00 3.08 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 95 W 9.24 4.13 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 7.64 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.15 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.44 0.00 98 A 7.94 4.28 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 99 C 7.88 4.91 0.00 3.10 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 0.00 100 N 8.48 4.67 0.00 2.80 2.82 0.00 0.00 6.74 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 8.11 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 0.00 102 A 8.05 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 T 7.83 3.81 4.36 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 1.20 0.00 0.00 104 K 8.57 3.87 0.00 1.87 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 105 A 8.49 3.94 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 0.00 106 A 8.40 4.11 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 0.00 107 A 7.89 3.95 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 K 7.89 3.87 0.00 1.70 1.66 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.58 7.81 109 F 8.36 4.17 0.00 3.25 3.02 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 0.00 110 A 8.42 4.49 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 0.00 111 Q 8.22 4.06 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.17 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 112 L 7.59 4.60 0.00 2.20 2.02 0.86 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 113 G 7.82 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 0.00 0.00 0.00 114 F 8.34 4.59 0.00 3.41 3.02 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 0.00 115 R 8.47 4.70 0.00 1.99 1.88 0.00 3.26 0.00 0.00 3.41 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 116 V 7.84 4.46 2.19 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 0.88 0.00 0.00 0.98 0.00 0.00 117 K 8.63 4.77 0.00 1.86 1.67 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.58 7.81 118 E 8.94 4.77 0.00 2.15 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 2.46 2.31 0.00 119 L 8.78 4.84 0.00 1.85 1.84 1.05 1.14 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 0.00 120 I 8.16 3.66 1.93 0.00 0.00 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 1.54 0.82 0.97 0.00 0.00 121 G 9.87 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 0.00 0.00 0.00 122 G 7.77 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 0.00 0.00 0.00 0.00 123 I 8.07 3.66 1.95 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 1.03 0.00 0.00 124 E 8.69 4.08 0.00 2.30 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 0.00 2.56 2.53 0.00 125 Y 8.12 4.46 0.00 3.10 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 0.00 126 W 8.40 4.13 0.00 3.44 3.21 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 0.00 127 R 8.42 4.09 0.00 2.03 2.06 0.00 3.33 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.06 0.00 128 K 7.50 3.99 0.00 1.89 1.83 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.69 7.81 129 E 7.35 4.14 0.00 1.55 1.74 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 2.41 2.30 0.00 130 N 7.49 4.92 0.00 2.14 2.39 0.00 0.00 7.03 7.27 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 0.00 131 G 8.19 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 0.00 132 L 8.24 4.47 0.00 1.68 1.63 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.49 4.16 0.00 1.85 1.64 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 2.21 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.