NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5276 8.3193 116.7949 58.4406 64.4464 173.7783 1 T 4.0785 8.7917 114.8092 60.6648 70.9061 174.4457 2 K 3.9145 8.6445 120.5499 59.3205 32.3291 180.4129 3 L 4.0093 7.9323 120.1382 58.4192 41.9712 178.7628 4 E 3.9818 8.2096 118.3443 59.4157 29.4723 179.2345 5 E 3.9522 8.2895 118.5600 59.7911 29.5981 179.1767 6 H 4.3331 8.1974 116.1236 58.9421 28.7384 177.9130 7 L 4.1329 8.3421 121.1173 57.6472 41.4293 179.0654 8 E 4.0515 8.5936 119.6844 59.2802 29.6932 179.0805 9 G 3.7506 8.0597 105.3151 48.0847 0.0000 175.7418 10 I 3.9990 7.9164 122.3900 64.0444 37.2079 178.6556 11 V 3.6996 8.4321 119.6242 66.2281 31.3413 177.9016 12 N 4.4812 8.4049 116.2253 56.3059 38.1861 177.6062 13 I 4.1074 7.8746 122.3431 63.6566 37.1785 177.9096 14 F 3.7186 8.4442 121.6647 61.8928 39.1811 177.1258 15 H 4.5851 8.2748 116.4867 58.2134 28.5495 177.7096 16 Q 3.9966 8.2618 120.1963 59.0948 28.4758 178.6107 17 Y 3.9816 7.6542 117.8238 60.7934 38.1260 178.1703 18 S 4.0645 7.8111 115.2757 61.0922 62.8169 176.3806 19 V 3.8175 7.6242 120.5550 64.9069 31.2927 177.7573 20 R 4.0755 7.5077 117.0726 58.0514 30.2218 176.7336 21 K 4.6927 6.8934 114.4586 54.9909 37.1251 178.5906 22 G 3.6670 8.4687 109.5120 46.9629 0.0000 174.6533 23 H 4.4525 8.6191 120.9089 55.2516 29.1308 176.3955 24 F 4.3627 9.2956 119.1556 59.0043 37.8851 175.5680 25 D 4.7332 7.3139 118.3292 52.6109 39.5740 174.8719 26 T 5.2092 7.4784 108.4570 60.2412 72.2208 172.7933 27 L 4.9830 8.7498 121.2506 53.7436 44.3932 176.0491 28 S 4.7227 9.1503 115.1265 58.1919 64.0242 175.4749 29 K 4.0382 9.0199 121.3012 59.5007 31.7707 179.9641 30 G 3.5982 8.2891 106.2105 48.0058 0.0000 175.6527 31 E 4.0352 8.2430 121.3109 58.8510 29.3508 179.2025 32 L 3.8837 8.2512 120.8447 57.8031 42.1097 178.9176 33 K 3.5737 8.0927 119.7375 59.3016 32.0852 178.4844 34 Q 3.8786 7.7528 119.2475 59.0401 29.0183 177.7041 35 L 3.4705 7.9575 121.5202 58.3068 41.9786 179.0480 36 L 4.0864 8.2044 118.8978 58.1259 41.3557 179.6287 37 T 4.0370 7.8636 114.7052 66.4272 68.4488 176.3135 38 K 4.1543 7.9716 120.2177 59.6051 32.5921 178.5054 39 E 4.3399 8.6505 116.9479 57.5795 29.7570 177.3251 40 L 4.7421 7.9271 119.1995 54.1225 42.9061 178.5982 41 A 4.0352 8.3142 122.8815 55.5814 18.2642 179.8233 42 N 4.3177 8.0776 114.3124 56.5852 38.6810 177.5017 43 T 4.0908 7.8118 117.9785 66.1891 68.6985 176.3272 44 I 3.6201 8.0469 121.8195 64.3680 36.9119 178.4730 45 K 3.9806 7.7476 118.7762 59.2950 32.0703 178.0534 46 N 4.6156 7.8477 115.1865 53.6855 38.6779 175.2841 47 I 3.7870 7.0388 124.7043 61.4944 37.5230 176.8451 48 K 3.9946 8.6097 127.7940 57.2987 32.0212 173.4415 49 D 4.6264 7.6904 121.8551 52.6191 39.9805 176.4876 50 K 3.9943 8.3036 125.4261 58.2336 32.0872 178.3620 51 A 4.0213 7.9462 121.7236 54.5541 18.1764 179.8333 52 V 3.4269 7.8050 117.2555 66.4060 31.6850 178.3706 53 I 3.4814 7.4294 118.9249 63.9365 37.0557 177.6563 54 D 4.4177 7.8972 122.1160 58.2120 40.7471 179.6516 55 E 3.9732 8.2882 118.4562 61.2267 29.8267 180.9015 56 I 3.9409 7.7520 121.2074 64.3941 37.1744 178.6850 57 F 4.5299 8.7798 118.9638 60.3102 38.6409 177.3432 58 Q 4.0994 8.8877 119.9949 59.4150 28.6792 178.9881 59 G 3.6898 8.0680 106.3086 47.8473 0.0000 175.6574 60 L 4.0484 7.9037 121.2218 57.6204 41.4286 179.3274 61 D 4.3136 8.4050 117.9889 57.3154 40.8430 178.2129 62 A 4.1967 8.2695 120.6025 54.2341 19.2335 177.5953 63 N 5.1027 7.9649 114.4318 52.7033 39.6371 176.4704 64 Q 4.3390 8.0235 116.7894 58.2474 29.2480 177.2711 65 D 4.7599 7.8834 116.1908 54.2754 41.6921 176.1873 66 E 4.2347 8.1474 120.8492 56.4167 30.5824 176.1040 67 Q 4.9181 8.6062 122.5408 55.2951 30.4173 175.5912 68 V 4.6616 9.0357 116.0635 59.7203 36.0778 175.0878 69 D 5.0750 8.4142 123.3787 51.8363 42.2608 176.6310 70 F 2.8238 8.6090 118.9725 61.4237 39.0593 176.8016 71 Q 3.8280 8.1225 116.9255 59.0392 28.3075 178.4747 72 E 3.9123 8.2398 119.2333 58.8859 29.7396 178.0863 73 F 4.3113 8.0020 120.0573 61.4359 39.6464 176.8427 74 I 3.1806 7.3890 119.3588 64.0015 36.7675 178.7432 75 S 4.1472 7.4449 109.7271 59.3085 61.8563 175.6717 *77 V 3.7574 7.7325 121.0377 62.3876 33.0903 177.2685 78 A 3.9656 7.9851 121.5550 55.1776 18.0569 179.6623 79 I 3.5551 7.6668 117.9600 64.4597 37.2851 178.5700 80 A 3.8615 7.7870 121.0458 54.8776 18.2069 179.1250 81 L 3.7814 8.0717 119.1958 58.1970 42.1550 178.9771 82 K 2.7889 7.9392 119.2028 59.3504 31.8431 178.5545 83 A 3.9157 7.6229 119.2642 54.5287 18.5245 178.4076 84 A 4.2007 7.5964 117.6253 51.4345 18.5557 177.0874 85 H 3.5256 8.6243 113.9791 57.5000 26.9136 174.8160 86 Y 3.6486 7.5080 112.3870 59.2468 35.5084 169.5300 87 H 4.8264 7.9395 118.6387 55.2674 29.0393 175.8750 88 T 4.7569 8.8723 113.1158 60.5597 69.6168 173.7314 89 H 4.7964 7.8016 119.9503 54.6664 30.4978 175.8453 90 K 4.1810 8.4672 120.7022 55.0069 31.6013 178.0300 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 0 S 8.32 4.53 0.00 3.87 3.87 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 1 T 8.79 4.08 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 1.24 0.00 0.00 2 K 8.64 3.91 0.00 1.92 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.07 7.81 3 L 7.93 4.01 0.00 1.77 1.69 0.96 1.01 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 4 E 8.21 3.98 0.00 2.29 2.00 0.00 0.00 0.00 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 2.37 0.00 5 E 8.29 3.95 0.00 2.09 1.94 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 2.32 2.48 0.00 6 H 8.20 4.33 0.00 3.40 3.38 0.00 5.64 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 7 L 8.34 4.13 0.00 1.87 1.81 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.59 4.05 0.00 2.16 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 2.33 2.41 0.00 9 G 8.06 3.75 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 0.00 10 I 7.92 4.00 2.24 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 1.57 0.85 1.32 0.00 0.00 11 V 8.43 3.70 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 nan 0.00 0.00 0.70 0.00 0.00 12 N 8.40 4.48 0.00 3.02 2.91 0.00 0.00 7.05 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 13 I 7.87 4.11 2.18 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.29 1.09 0.00 0.00 14 F 8.44 3.72 0.00 2.76 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 15 H 8.27 4.59 0.00 3.39 3.41 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.26 4.00 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 17 Y 7.65 3.98 0.00 2.82 2.77 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 0.00 0.00 0.00 18 S 7.81 4.06 0.00 3.91 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 19 V 7.62 3.82 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 0.90 0.00 0.00 1.18 0.00 0.00 20 R 7.51 4.08 0.00 1.88 1.93 0.00 3.02 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 21 K 6.89 4.69 0.00 1.93 1.64 0.00 2.01 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 0.98 7.81 22 G 8.47 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 0.00 0.00 0.00 23 H 8.62 4.45 0.00 3.28 3.23 0.00 5.82 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.30 4.36 0.00 3.21 3.18 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 25 D 7.31 4.73 0.00 2.54 1.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.48 5.21 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 1.20 0.00 0.00 27 L 8.75 4.98 0.00 1.79 1.61 0.78 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 28 S 9.15 4.72 0.00 4.15 4.04 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 29 K 9.02 4.04 0.00 2.00 1.90 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.63 7.81 30 G 8.29 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 0.00 0.00 0.00 31 E 8.24 4.04 0.00 2.19 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 2.31 0.00 32 L 8.25 3.88 0.00 1.78 1.86 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.09 3.57 0.00 1.56 1.72 0.00 1.34 0.00 0.00 1.28 0.00 0.00 2.57 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.71 0.21 7.81 34 Q 7.75 3.88 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 35 L 7.96 3.47 0.00 1.23 1.60 0.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.20 4.09 0.00 1.87 1.88 1.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 T 7.86 4.04 4.40 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 1.28 0.00 0.00 38 K 7.97 4.15 0.00 1.85 1.94 0.00 1.88 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.54 7.81 39 E 8.65 4.34 0.00 2.03 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 2.55 2.55 0.00 40 L 7.93 4.74 0.00 1.92 1.64 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.31 4.04 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 42 N 8.08 4.32 0.00 2.87 2.87 0.00 0.00 7.10 7.05 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 43 T 7.81 4.09 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 1.17 0.00 0.00 44 I 8.05 3.62 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 1.30 1.19 0.83 0.00 0.00 45 K 7.75 3.98 0.00 2.13 1.98 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 46 N 7.85 4.62 0.00 2.90 2.82 0.00 0.00 7.05 7.53 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 47 I 7.04 3.79 1.90 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.59 0.87 0.00 0.00 48 K 8.61 3.99 0.00 1.78 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 0.99 7.81 49 D 7.69 4.63 0.00 2.65 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 50 K 8.30 3.99 0.00 1.76 1.79 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.41 7.81 51 A 7.95 4.02 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 52 V 7.81 3.43 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 0.93 0.00 0.00 0.91 0.00 0.00 53 I 7.43 3.48 1.58 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.37 -0.10 0.00 0.00 54 D 7.90 4.42 0.00 2.82 2.72 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 0.00 0.00 0.00 55 E 8.29 3.97 0.00 1.97 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 2.22 0.00 56 I 7.75 3.94 1.80 0.00 0.00 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 1.50 0.80 1.05 0.00 0.00 57 F 8.78 4.53 0.00 3.17 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 58 Q 8.89 4.10 0.00 2.26 2.35 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 2.36 2.27 0.00 59 G 8.07 3.69 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 0.00 0.00 0.00 60 L 7.90 4.05 0.00 1.84 1.82 0.94 1.08 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 61 D 8.40 4.31 0.00 2.75 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 62 A 8.27 4.20 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 63 N 7.96 5.10 0.00 2.68 2.75 0.00 0.00 6.75 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 64 Q 8.02 4.34 0.00 2.21 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.77 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 65 D 7.88 4.76 0.00 2.69 2.75 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 66 E 8.15 4.23 0.00 2.01 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 2.34 2.46 0.00 67 Q 8.61 4.92 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 68 V 9.04 4.66 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 0.87 0.00 0.00 1.11 0.00 0.00 69 D 8.41 5.08 0.00 2.80 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 70 F 8.61 2.82 0.00 2.44 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 71 Q 8.12 3.83 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 72 E 8.24 3.91 0.00 1.97 2.11 0.00 0.00 0.00 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 2.30 0.00 73 F 8.00 4.31 0.00 3.11 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 74 I 7.39 3.18 1.63 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.03 0.70 0.00 0.00 75 S 7.44 4.15 0.00 3.83 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 *77 V 7.73 3.76 1.70 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 0.84 0.00 0.00 0.35 0.00 0.00 78 A 7.99 3.97 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 I 7.67 3.56 1.81 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 1.41 0.73 0.85 0.00 0.00 80 A 7.79 3.86 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 81 L 8.07 3.78 0.00 1.98 1.82 0.96 0.71 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 82 K 7.94 2.79 0.00 1.81 1.79 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.27 7.81 83 A 7.62 3.92 1.27 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 0.00 0.00 84 A 7.60 4.20 1.35 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 0.00 0.00 0.00 85 H 8.62 3.53 0.00 2.99 3.25 0.00 5.99 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.51 3.65 0.00 3.16 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 87 H 7.94 4.83 0.00 3.23 3.06 0.00 5.57 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.87 4.76 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 1.26 0.00 0.00 89 H 7.80 4.80 0.00 3.29 3.33 0.00 5.53 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.47 4.18 0.00 1.80 1.62 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.