NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4510 8.3049 118.1962 55.1179 32.3927 173.8728 2 E 3.9487 8.7175 118.3555 55.9864 30.2190 174.4728 3 L 4.6181 9.1151 125.1214 53.0819 43.3247 176.2833 4 K 4.2986 8.6369 124.2416 55.9115 32.7433 176.9720 5 N 4.9026 8.6412 117.9191 53.2727 38.0036 174.9828 6 S 4.7686 7.9419 113.3096 57.2830 67.4995 175.2316 7 I 3.8865 8.5593 124.4173 64.5942 36.9513 178.4477 8 S 4.7212 7.8999 112.3015 59.8274 62.9409 174.5448 9 D 4.5606 8.1281 120.3176 55.5062 41.3069 175.8472 10 Y 4.9774 8.2005 118.2506 56.6941 39.7412 175.6514 11 T 4.9697 8.6030 116.4769 60.0482 71.7735 175.9393 12 E 3.2032 8.5402 120.3761 59.3447 29.2692 179.5044 13 A 4.0030 7.9045 120.2107 55.2794 18.6246 179.4186 14 E 4.5235 8.3640 118.4811 59.0331 29.5145 179.3474 15 F 3.9341 8.5518 120.9209 61.0875 39.3459 177.3874 16 V 3.6054 7.8906 118.0312 66.0327 31.1629 178.0171 17 Q 3.9629 7.8616 117.6878 58.8018 28.4331 178.5826 18 L 3.8979 7.6403 120.9096 58.1107 42.0856 179.0158 19 L 3.7526 7.7209 118.9946 57.5725 41.4902 179.4344 20 K 3.9275 8.1429 119.7852 59.1169 32.1560 178.6187 21 E 3.9405 8.2009 119.9731 59.1327 29.5310 178.8022 22 I 3.6807 7.8698 120.2188 64.3787 36.9004 178.2683 23 E 3.9043 7.9406 118.5095 59.0794 29.4731 178.9314 24 K 4.0410 8.0352 119.6770 59.7491 32.3094 178.7635 25 E 4.0697 8.1604 118.2868 58.9397 29.1187 178.6595 26 N 4.3965 7.9509 116.7371 55.8266 38.9591 175.6624 27 V 4.1859 7.0955 110.5142 60.7733 32.0621 175.7781 28 A 4.2597 7.7262 123.1856 51.2285 19.0398 177.9712 29 A 4.0808 8.6893 123.1448 54.7428 18.3958 177.6639 30 T 4.6877 7.5719 102.7269 60.2633 71.9910 173.1562 31 D 4.8392 8.2999 117.6879 54.3284 40.1561 178.0883 32 D 4.3627 8.2520 121.4146 57.7554 40.8725 179.0208 33 V 3.7260 7.6563 117.6503 65.6401 31.7746 177.2246 34 L 3.9348 7.9989 119.7153 58.7534 41.7725 178.6997 35 D 4.4154 8.5857 118.7090 57.2904 40.6793 179.1119 36 V 3.7841 7.3399 116.9479 66.0101 31.4902 178.1806 37 L 4.1264 7.9245 118.4256 57.6017 41.3522 179.5519 38 L 4.0853 8.1654 119.2353 57.7246 41.5259 179.1454 39 E 4.0487 8.2987 118.6356 59.7026 29.4368 178.9500 40 H 4.1582 8.4132 118.1370 59.2262 29.9748 176.8889 41 F 4.0774 8.5397 122.6916 61.4717 39.3007 177.2680 42 V 3.5397 8.4939 118.1545 65.7141 31.0998 177.9062 43 K 3.9193 8.0547 118.7494 59.5726 32.2043 178.5822 44 I 3.9041 7.4984 112.2317 64.0805 37.6923 177.9199 45 T 3.7487 7.4554 110.8275 62.5777 68.6095 175.1764 46 E 3.7302 7.6280 117.1949 56.8067 27.9900 173.5481 47 H 2.9225 7.2606 118.9146 54.3254 30.2911 174.5239 48 P 4.1949 0.0000 0.0000 65.8253 31.2361 176.9212 49 D 4.5655 8.3659 117.1486 54.2035 42.7320 178.4601 50 G 3.9513 7.8790 108.8268 46.3502 0.0000 177.7312 51 T 4.0849 8.8865 118.4693 64.1497 68.3566 174.8718 52 D 4.6306 8.3573 122.3088 57.6152 40.5582 178.6349 53 L 4.0166 7.7287 118.2806 57.1856 41.5702 179.0189 54 I 3.7950 7.5580 119.0334 63.5986 37.7117 177.1679 55 Y 4.2980 7.6702 114.0497 58.5389 39.5302 175.3220 56 Y 4.7268 8.3609 117.0877 55.7126 38.7341 173.5173 57 P 4.4490 0.0000 0.0000 62.5017 32.7317 177.4354 58 S 4.3962 8.3916 116.1221 58.6291 63.4030 175.2996 59 D 4.4518 8.5626 122.6671 56.7232 40.7896 177.1560 60 N 4.6666 8.0958 114.9180 53.2914 37.6462 174.2627 61 R 4.7250 7.4295 114.6406 54.4977 32.9855 174.1939 62 D 4.5119 8.3787 118.0580 54.1357 41.4303 176.1655 63 D 4.7933 8.4040 124.1454 52.7059 39.7293 175.3015 64 S 4.5371 7.5356 118.3566 55.3356 66.9857 173.9176 65 P 4.2400 0.0000 0.0000 65.7547 31.0023 178.8656 66 E 4.0651 8.2039 117.1658 59.2836 29.3363 179.5204 67 G 3.7844 7.8900 106.9891 47.1684 0.0000 175.9049 68 I 3.7561 8.1248 122.6700 64.2160 37.1048 178.6527 69 V 3.6433 8.0619 119.1721 65.7881 31.3274 177.9193 70 K 3.9438 8.2012 119.3106 59.5928 32.0988 178.3427 71 E 4.0309 8.4558 119.7215 59.3796 29.4478 178.8508 72 I 3.8004 8.0317 119.8518 64.2415 37.2005 178.1902 73 K 3.9347 8.5448 120.8341 59.6925 32.0127 178.7072 74 E 3.9931 8.4067 118.7199 59.1377 29.4770 179.1162 75 W 4.0378 8.4504 128.4603 60.4958 30.7042 178.2859 76 R 3.6380 8.5867 118.1616 58.9974 29.4432 178.8813 77 A 3.8503 7.9877 120.3052 55.1902 18.2285 179.6000 78 A 3.8701 8.1223 118.0648 54.4292 18.3303 178.5477 79 N 4.5271 7.0319 112.5672 51.9669 38.8419 175.0788 80 G 3.8632 7.6263 107.5773 46.4139 0.0000 174.1874 81 K 4.4585 7.7640 118.3418 53.1485 33.8502 175.0412 82 P 4.1880 0.0000 0.0000 63.3728 31.6423 176.4401 83 G 3.9270 8.0912 109.5108 43.9122 0.0000 172.6142 84 F 4.7524 8.1828 117.2036 57.1878 39.9360 175.6749 85 K 4.0707 9.4702 123.7127 57.0608 33.1348 176.6661 86 Q 4.2142 8.6355 128.5853 55.2218 30.9167 175.8407 *87 G 3.7362 8.3891 108.6002 45.7785 0.0000 172.7269 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 4.45 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 2 E 8.72 3.95 0.00 2.04 1.90 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 2.30 2.32 0.00 3 L 9.12 4.62 0.00 1.53 1.21 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.64 4.30 0.00 1.63 1.74 0.00 1.49 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.61 0.28 7.81 5 N 8.64 4.90 0.00 2.88 2.98 0.00 0.00 5.87 7.64 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 6 S 7.94 4.77 0.00 4.10 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 7 I 8.56 3.89 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.15 0.00 0.00 8 S 7.90 4.72 0.00 3.99 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 9 D 8.13 4.56 0.00 2.74 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 10 Y 8.20 4.98 0.00 3.55 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 11 T 8.60 4.97 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 1.28 0.00 0.00 12 E 8.54 3.20 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.19 0.00 13 A 7.90 4.00 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 8.36 4.52 0.00 2.56 2.28 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 2.40 2.26 0.00 15 F 8.55 3.93 0.00 3.23 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 16 V 7.89 3.61 2.25 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 1.04 0.00 0.00 1.00 0.00 0.00 17 Q 7.86 3.96 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 18 L 7.64 3.90 0.00 1.69 1.38 0.90 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.72 3.75 0.00 1.82 1.59 1.06 0.54 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 20 K 8.14 3.93 0.00 2.06 1.76 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 21 E 8.20 3.94 0.00 2.10 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 2.30 2.37 0.00 22 I 7.87 3.68 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.75 0.00 0.00 23 E 7.94 3.90 0.00 2.04 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 2.22 2.43 0.00 24 K 8.04 4.04 0.00 1.82 1.96 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 25 E 8.16 4.07 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 2.32 2.45 0.00 26 N 7.95 4.40 0.00 3.01 3.00 0.00 0.00 7.09 7.87 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 27 V 7.10 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 0.72 0.00 0.00 1.02 0.00 0.00 28 A 7.73 4.26 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 29 A 8.69 4.08 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 30 T 7.57 4.69 4.30 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 1.21 0.00 0.00 31 D 8.30 4.84 0.00 2.69 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 32 D 8.25 4.36 0.00 2.68 2.74 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 33 V 7.66 3.73 2.28 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 1.04 0.00 0.00 0.93 0.00 0.00 34 L 8.00 3.93 0.00 1.80 1.82 1.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.59 4.42 0.00 2.75 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 36 V 7.34 3.78 2.25 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 1.06 0.00 0.00 0.95 0.00 0.00 37 L 7.92 4.13 0.00 1.92 1.72 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.17 4.09 0.00 1.92 1.80 1.03 0.74 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 39 E 8.30 4.05 0.00 2.25 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 2.38 2.65 0.00 40 H 8.41 4.16 0.00 3.35 3.56 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.54 4.08 0.00 3.07 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 42 V 8.49 3.54 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 0.96 0.00 0.00 1.20 0.00 0.00 43 K 8.05 3.92 0.00 1.87 1.96 0.00 1.88 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 44 I 7.50 3.90 1.91 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 1.77 0.64 0.94 0.00 0.00 45 T 7.46 3.75 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 0.57 0.00 0.00 46 E 7.63 3.73 0.00 2.35 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 2.36 2.45 0.00 47 H 7.26 2.92 0.00 2.57 2.76 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.19 0.00 2.16 2.16 0.00 2.27 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 49 D 8.37 4.57 0.00 2.66 2.74 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 50 G 7.88 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 51 T 8.89 4.08 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 1.36 0.00 0.00 52 D 8.36 4.63 0.00 2.87 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.73 4.02 0.00 1.78 1.83 0.83 1.14 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 54 I 7.56 3.80 1.40 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 -0.08 -0.18 0.00 0.00 55 Y 7.67 4.30 0.00 2.98 2.69 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 56 Y 8.36 4.73 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.45 0.00 2.17 2.03 0.00 3.70 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 1.97 2.11 0.00 58 S 8.39 4.40 0.00 3.94 3.85 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 59 D 8.56 4.45 0.00 2.68 2.74 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 60 N 8.10 4.67 0.00 2.83 2.95 0.00 0.00 5.81 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 61 R 7.43 4.73 0.00 1.87 1.92 0.00 3.13 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.83 0.00 62 D 8.38 4.51 0.00 2.73 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.79 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.54 4.54 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.24 0.00 2.16 2.12 0.00 3.57 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.26 0.00 66 E 8.20 4.07 0.00 2.05 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 2.39 2.43 0.00 67 G 7.89 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 0.00 0.00 0.00 68 I 8.12 3.76 2.10 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 1.57 0.89 1.15 0.00 0.00 69 V 8.06 3.64 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 0.82 0.00 0.00 1.03 0.00 0.00 70 K 8.20 3.94 0.00 2.02 1.98 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.48 7.81 71 E 8.46 4.03 0.00 2.12 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 2.34 2.45 0.00 72 I 8.03 3.80 2.06 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 1.36 0.73 0.70 0.00 0.00 73 K 8.54 3.93 0.00 2.15 2.10 0.00 1.73 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.60 7.81 74 E 8.41 3.99 0.00 2.16 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 2.37 2.59 0.00 75 W 8.45 4.04 0.00 3.53 3.28 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 76 R 8.59 3.64 0.00 1.90 1.85 0.00 3.03 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 77 A 7.99 3.85 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 78 A 8.12 3.87 1.20 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 0.00 0.00 0.00 0.00 0.00 79 N 7.03 4.53 0.00 1.83 2.27 0.00 0.00 6.95 8.06 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 80 G 7.63 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 81 K 7.76 4.46 0.00 1.59 1.66 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.34 7.81 82 P 0.00 4.19 0.00 2.12 2.03 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 83 G 8.09 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 84 F 8.18 4.75 0.00 2.99 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 85 K 9.47 4.07 0.00 2.08 1.80 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.44 7.81 86 Q 8.64 4.21 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.42 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 *87 G 8.39 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 * Residues marked with a * may have inaccurate shift predictions.