NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5055 8.3044 118.7963 54.6420 33.1329 174.5425 2 E 4.5134 8.1993 119.5046 54.6134 32.6032 173.7069 3 L 4.2268 8.6028 126.1776 53.8159 43.4610 176.2231 4 K 4.0062 8.6150 121.7522 57.4173 32.4068 176.2610 5 H 4.4437 9.2026 123.6944 55.7031 29.5597 174.6499 6 S 4.7906 8.5476 117.5392 56.2960 64.4134 174.7860 7 I 3.8893 8.3117 127.4904 63.5225 38.0061 176.8601 8 S 4.8045 7.5051 111.7631 58.3242 63.0337 174.4297 9 D 4.6084 8.2575 120.5524 55.4366 41.2478 175.7146 10 Y 4.8814 8.1973 118.4729 55.9924 40.3907 175.7581 11 T 4.7782 8.9600 116.3814 60.7135 71.1265 175.4724 12 E 2.5400 8.5167 121.5748 58.8682 29.4612 178.6958 13 A 3.9316 7.8376 120.2376 55.3022 18.5388 179.2530 14 E 3.9844 8.1327 116.8594 59.6399 29.5124 179.4658 15 F 4.1701 8.6308 121.0035 61.1150 39.3490 176.8862 16 L 3.8707 8.4530 120.4636 58.2365 41.7707 178.9739 17 Q 3.9319 8.3216 118.1947 58.7682 28.6333 178.6431 18 L 3.8590 7.8835 121.3361 58.1715 42.1002 179.2217 19 V 3.2634 7.6853 118.5654 66.1227 31.2933 178.1572 20 T 3.7614 8.0195 115.7971 66.6927 68.1700 176.7915 21 T 3.8050 7.9728 117.9428 66.6124 68.4818 176.7153 22 I 3.6076 7.5961 121.5407 64.6963 36.9224 178.4090 23 C 3.9824 7.8374 116.2064 62.4258 27.9981 175.1846 24 N 4.4742 8.2533 115.6446 52.5206 38.9817 174.6218 25 A 3.7267 7.6630 122.5158 53.2926 17.2401 177.5850 26 D 4.6811 8.0743 118.4689 54.9565 40.2060 176.0330 27 T 4.8286 7.1622 108.6035 59.3763 72.1850 174.9825 28 S 4.2833 8.9051 116.8202 60.8594 63.6239 174.7105 29 S 4.5910 7.4346 114.2860 56.0380 66.5895 174.7533 30 E 3.9281 8.6395 122.5221 59.2595 29.3993 178.2810 31 E 3.9009 8.1377 119.0040 59.3497 29.7460 178.3060 32 E 3.9635 8.2812 119.3032 59.0308 29.5796 178.5618 33 L 3.9219 7.7772 120.2686 58.2645 42.1537 179.2216 34 V 3.6002 8.0458 118.3244 65.6552 31.3547 177.8284 35 K 3.9538 8.1906 119.6315 59.5145 31.9990 178.8369 36 L 4.0608 7.9019 119.2797 57.6799 41.4592 179.5554 37 V 3.6394 8.1199 118.4799 66.2826 31.4470 178.1001 38 T 3.9253 8.3232 115.8297 67.0379 68.2698 175.9640 39 H 4.1794 8.4727 120.0721 59.1477 29.8016 176.8440 40 F 4.0617 8.6728 122.8578 61.5098 39.3148 176.8801 41 E 3.8710 8.7167 118.2804 59.5450 29.0571 179.2342 42 E 4.0025 8.1460 117.3914 59.6838 29.5920 179.1602 43 M 4.1960 8.0120 118.0695 58.6130 32.1552 178.7099 44 T 3.7387 7.6035 108.7768 62.5766 68.8854 174.8848 45 E 3.7456 7.5844 117.6612 57.0450 28.0770 173.3887 46 H 3.1658 7.6436 119.8021 54.0937 30.3650 174.6787 47 P 4.2810 0.0000 0.0000 65.5473 31.4515 177.4476 48 S 4.2917 8.2662 114.2474 58.6275 64.3218 175.2301 49 G 3.7239 8.0489 110.5915 46.4064 0.0000 176.3939 50 S 4.4714 8.7251 116.4572 60.6749 62.8403 175.9781 51 D 4.6827 8.4328 123.3270 57.4087 40.2688 178.1616 52 L 3.9545 7.6535 118.5569 57.7243 41.6252 179.0705 53 I 3.6916 7.4787 118.3935 63.2194 37.4935 176.9190 54 Y 4.4125 7.7171 114.4848 57.9450 40.4454 175.6338 55 Y 4.6889 7.9809 116.6612 55.7010 38.7242 173.3077 56 P 4.4826 0.0000 0.0000 62.0651 32.9499 177.4580 57 K 4.1101 8.5505 121.7609 56.6701 32.6908 177.1534 *58 E 4.0391 8.6588 117.9117 58.0317 29.8072 177.7160 59 G 4.0881 9.0447 112.2542 44.4312 0.0000 173.3092 60 D 4.5733 7.7695 119.2721 53.4533 41.9843 175.6309 61 D 4.5919 8.5349 122.3974 53.6354 41.2410 175.8813 62 D 4.9271 8.4802 126.3598 53.2583 39.9455 177.3104 63 S 4.3597 8.1886 115.5499 57.7571 65.0991 172.8056 64 P 4.1399 0.0000 0.0000 65.9775 31.0271 179.1517 65 S 4.2294 8.0978 112.4910 61.2071 62.8351 176.4533 66 G 3.9441 7.8923 110.3209 47.2251 0.0000 175.7757 67 I 3.7796 8.1161 122.9387 63.9529 37.0427 178.6277 68 V 3.9644 8.1040 119.3117 66.2804 31.2747 177.6428 69 N 4.4320 8.5602 116.8517 56.9095 38.7443 176.9868 70 T 3.9468 8.3178 117.5189 66.6703 68.4753 176.7733 71 V 3.6949 8.2964 120.4147 65.7901 31.5868 177.9192 72 K 3.8637 8.5419 119.7071 59.7541 32.0183 178.8262 73 Q 4.0273 8.5141 118.6021 58.6463 28.5192 178.5287 74 W 4.0706 8.5347 129.5193 60.5641 30.7600 178.2439 75 R 3.6162 8.5704 118.1154 58.9956 29.3110 178.8146 76 A 3.8527 8.0622 120.3212 55.2379 18.2136 179.6331 77 A 3.9237 8.0338 117.7862 54.0865 18.3529 178.0273 78 N 4.4127 6.8952 113.0509 52.5691 38.7963 175.0551 79 G 3.7543 7.4684 105.1920 46.4268 0.0000 174.4659 80 K 4.3915 7.5506 118.6774 53.8841 33.8857 176.7986 81 S 4.2132 8.3086 114.9904 58.5386 63.8941 174.5398 82 G 4.0159 7.9491 110.8526 44.0755 0.0000 173.1044 83 F 4.5327 8.1091 118.0127 56.6558 39.5350 175.4336 84 K 4.1988 9.2039 122.7195 56.9459 31.9540 176.5976 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 M 8.30 4.51 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 E 8.20 4.51 0.00 1.99 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 2.25 2.44 0.00 3 L 8.60 4.23 0.00 1.67 1.59 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.61 4.01 0.00 1.74 1.78 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.54 7.81 5 H 9.20 4.44 0.00 3.47 3.52 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.55 4.79 0.00 3.86 3.92 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 0.00 0.00 0.00 0.00 7 I 8.31 3.89 1.86 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.69 0.64 0.00 0.00 8 S 7.51 4.80 0.00 4.05 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 9 D 8.26 4.61 0.00 2.87 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 10 Y 8.20 4.88 0.00 3.45 3.10 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 11 T 8.96 4.78 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 1.30 0.00 0.00 12 E 8.52 2.54 0.00 1.61 1.78 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 2.14 1.72 0.00 13 A 7.84 3.93 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 14 E 8.13 3.98 0.00 2.49 2.37 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 2.40 2.38 0.00 15 F 8.63 4.17 0.00 3.18 2.95 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 16 L 8.45 3.87 0.00 1.71 1.77 0.88 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 17 Q 8.32 3.93 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 18 L 7.88 3.86 0.00 1.76 1.56 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.69 3.26 1.83 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 0.81 0.00 0.00 0.43 0.00 0.00 20 T 8.02 3.76 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 1.15 0.00 0.00 21 T 7.97 3.81 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 1.23 0.00 0.00 22 I 7.60 3.61 1.72 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.65 0.00 0.00 23 C 7.84 3.98 0.00 2.79 2.85 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 0.00 0.00 0.00 24 N 8.25 4.47 0.00 2.74 2.99 0.00 0.00 7.08 7.21 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 25 A 7.66 3.73 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 26 D 8.07 4.68 0.00 2.65 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 27 T 7.16 4.83 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 1.21 0.00 0.00 28 S 8.91 4.28 0.00 4.01 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 S 7.43 4.59 0.00 4.02 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 30 E 8.64 3.93 0.00 2.05 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 2.36 2.35 0.00 31 E 8.14 3.90 0.00 2.07 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 2.39 2.38 0.00 32 E 8.28 3.96 0.00 2.10 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 2.32 2.33 0.00 33 L 7.78 3.92 0.00 1.84 1.87 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.05 3.60 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 1.04 0.00 0.00 0.95 0.00 0.00 35 K 8.19 3.95 0.00 2.04 2.04 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 36 L 7.90 4.06 0.00 1.94 1.71 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.12 3.64 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 1.30 0.00 0.00 1.06 0.00 0.00 38 T 8.32 3.93 4.48 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 1.31 0.00 0.00 39 H 8.47 4.18 0.00 3.11 3.57 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.67 4.06 0.00 2.97 3.30 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 41 E 8.72 3.87 0.00 2.29 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 2.45 2.80 0.00 42 E 8.15 4.00 0.00 2.18 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 2.40 2.58 0.00 43 M 8.01 4.20 0.00 1.82 2.14 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.61 0.00 44 T 7.60 3.74 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 0.44 0.00 0.00 45 E 7.58 3.75 0.00 2.34 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 0.00 2.26 2.46 0.00 46 H 7.64 3.17 0.00 2.54 2.74 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.28 0.00 2.17 2.15 0.00 2.54 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.99 0.00 48 S 8.27 4.29 0.00 3.81 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 49 G 8.05 3.72 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 0.00 0.00 0.00 50 S 8.73 4.47 0.00 4.37 4.48 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 51 D 8.43 4.68 0.00 2.98 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 52 L 7.65 3.95 0.00 1.79 1.82 0.84 0.77 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 53 I 7.48 3.69 1.31 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.16 -0.25 0.00 0.00 54 Y 7.72 4.41 0.00 2.97 2.48 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 55 Y 7.98 4.69 0.00 2.95 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 56 P 0.00 4.48 0.00 2.17 2.02 0.00 3.71 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.13 0.00 57 K 8.55 4.11 0.00 2.14 1.80 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.01 7.81 *58 E 8.66 4.04 0.00 1.98 1.78 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 2.24 1.90 0.00 59 G 9.04 4.09 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 0.00 0.00 0.00 60 D 7.77 4.57 0.00 2.84 2.61 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 0.00 0.00 0.00 0.00 61 D 8.53 4.59 0.00 2.68 2.56 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 62 D 8.48 4.93 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 63 S 8.19 4.36 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.11 2.05 0.00 3.54 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 2.04 2.04 0.00 65 S 8.10 4.23 0.00 4.05 4.11 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 0.00 0.00 0.00 66 G 7.89 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 67 I 8.12 3.78 1.98 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 1.03 0.00 0.00 68 V 8.10 3.96 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 1.29 0.00 0.00 1.09 0.00 0.00 69 N 8.56 4.43 0.00 2.92 3.00 0.00 0.00 7.25 6.85 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 70 T 8.32 3.95 4.51 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 1.26 0.00 0.00 71 V 8.30 3.69 2.46 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 0.95 0.00 0.00 1.12 0.00 0.00 72 K 8.54 3.86 0.00 2.24 2.10 0.00 1.96 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.61 7.81 73 Q 8.51 4.03 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 74 W 8.53 4.07 0.00 3.53 3.32 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 75 R 8.57 3.62 0.00 1.77 1.83 0.00 3.06 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.04 0.00 76 A 8.06 3.85 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 77 A 8.03 3.92 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 78 N 6.90 4.41 0.00 1.64 2.17 0.00 0.00 6.98 8.91 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 79 G 7.47 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 80 K 7.55 4.39 0.00 1.59 1.65 0.00 1.55 0.00 0.00 1.95 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.29 1.28 7.81 81 S 8.31 4.21 0.00 3.91 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 7.95 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 83 F 8.11 4.53 0.00 3.10 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 84 K 9.20 4.20 0.00 2.04 1.84 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.