NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2007 8.1627 120.3135 55.1357 34.1193 173.7431 *11 K 4.3615 7.5801 118.7260 55.9019 32.4073 174.3789 12 R 4.0066 8.0959 123.1202 55.9548 31.0009 175.5829 13 Y 4.5807 8.7630 122.7386 58.0264 38.9918 174.9478 14 I 4.6269 8.3816 125.1178 60.0694 38.8886 175.2847 15 C 4.1408 8.9168 127.3530 59.8787 31.2573 173.4449 16 S 4.0134 8.9766 122.9663 62.0213 63.2281 175.9486 17 F 4.3496 7.9428 118.8435 60.9250 36.8681 177.3037 18 A 3.5786 6.6582 126.2756 54.3622 20.6921 179.3216 19 D 4.4232 8.2020 114.6302 57.6693 41.0678 178.2247 20 C 4.0328 8.8819 119.5459 60.8271 31.5683 175.0232 21 G 4.1740 8.4746 105.0756 45.9885 0.0000 172.9790 22 A 4.2539 7.3603 121.1368 51.3668 19.8606 177.3087 23 A 4.9232 7.3286 121.1374 51.0537 22.4738 175.4355 24 Y 4.6639 9.0282 118.7579 56.7309 42.2925 176.0860 25 N 3.9639 8.9194 122.3303 55.9913 39.7137 175.8642 26 K 4.2215 7.7897 118.8418 55.4912 32.9991 176.7350 27 N 4.4481 9.2039 123.5219 56.6610 38.8707 176.3333 28 W 4.5376 8.5200 117.4624 59.8417 27.8380 178.0829 29 K 3.1570 6.6213 118.6528 58.7470 31.4433 178.9019 30 L 3.9732 7.7126 120.3867 58.0839 41.9082 179.0326 31 Q 4.0121 8.6163 118.2698 59.0317 28.5329 178.4913 32 A 4.0985 8.1587 120.6444 55.5491 18.6357 178.8649 33 H 4.1102 8.4785 116.9472 59.4811 30.0608 177.2833 34 L 4.2555 8.7628 121.3197 58.1306 41.4588 179.6437 35 S 4.4076 8.6340 114.4518 61.7195 62.3694 176.8962 36 K 3.9176 8.0405 121.1042 59.1466 31.7577 178.4930 37 H 4.4109 7.8829 115.1035 58.5411 29.3123 177.2913 38 T 4.2467 8.4104 110.4043 62.3563 69.0115 175.9909 39 G 3.9241 8.2589 108.2204 45.4357 0.0000 173.2852 40 E 4.3106 7.9791 119.0694 56.0549 30.2163 177.4180 41 K 4.6567 8.0704 120.5679 53.2402 32.6627 174.0335 42 P 4.1598 0.0000 0.0000 64.8611 31.9742 176.8545 43 F 4.9243 8.4858 118.4230 54.9708 38.2860 173.2779 44 P 5.0342 0.0000 0.0000 62.6591 32.0872 176.8933 45 C 4.1775 9.3316 122.3649 60.5944 31.6562 174.7364 46 K 4.3613 8.3104 122.3341 57.2144 29.5442 176.2470 47 E 3.8452 7.9112 116.2778 56.4130 29.8530 176.6644 48 E 4.0218 8.7163 122.6415 58.0400 29.7670 175.8683 49 G 4.0895 8.6142 115.9722 46.5766 0.0000 174.4945 50 C 4.4316 7.4191 118.2618 58.3521 31.5668 174.7060 51 E 4.4171 7.7371 120.1386 55.4696 28.6966 175.5541 52 K 4.2395 7.7880 121.0031 56.5830 34.4475 178.4146 53 G 4.3618 8.4294 108.9232 44.6470 0.0000 172.0408 54 F 4.6980 9.5247 126.7250 56.3888 40.5325 177.0878 55 T 4.5783 8.8180 111.5149 62.1813 68.1677 174.5861 56 S 4.6845 7.7305 116.0306 56.9792 65.6918 173.6295 57 L 3.4785 6.9523 123.8402 55.7575 42.8786 175.7918 58 H 4.1654 8.3651 123.8853 57.7658 29.8102 176.5490 59 H 4.2637 7.5094 115.5138 58.6814 28.3664 177.3218 60 L 2.5703 7.0027 121.3997 57.8968 41.6897 179.2111 61 T 3.6513 7.2734 115.3251 66.4964 68.4372 176.6497 62 R 3.9006 8.2235 118.4179 59.5235 29.3104 178.1439 63 H 4.1657 8.2316 119.0018 59.3020 29.7467 177.2488 64 S 4.0804 8.1060 116.8379 61.3000 62.4460 176.5922 65 L 4.2047 8.1735 123.6091 57.3773 41.0711 179.5288 66 T 3.8911 8.0146 109.4450 64.8743 68.7590 176.3099 67 H 4.3900 7.8586 118.0722 58.9260 29.1985 177.4927 68 T 4.0779 8.2699 111.8050 62.6106 68.3024 175.5317 69 G 3.9450 8.1975 109.1485 46.5244 0.0000 174.5132 70 E 4.1937 7.9295 117.7397 54.8678 28.0731 177.3027 71 K 4.2117 7.5398 119.6536 56.4421 32.9301 175.6513 72 N 4.7695 8.2542 120.3829 53.2780 43.1912 175.3836 73 F 4.2558 8.2922 118.5563 57.2134 38.2681 173.3392 74 T 4.6545 8.1487 119.1453 62.7431 69.2496 173.7565 75 C 4.2260 9.5456 128.6925 59.6493 32.5178 173.4065 76 D 4.9140 8.8361 128.0355 53.2142 39.1705 173.9777 77 S 4.4279 7.8434 115.1205 56.2837 64.9349 172.8367 78 D 4.3829 8.7821 128.0209 56.3727 41.1274 176.1071 79 G 4.2929 9.0808 117.8992 46.2713 0.0000 175.5706 80 C 4.4363 7.1711 118.6141 59.0130 31.5992 173.5280 81 D 5.1019 7.6448 115.1263 53.1695 40.4501 177.6069 82 L 3.9995 7.6009 120.0485 54.8607 43.3198 177.9115 83 R 4.8614 8.1696 122.7645 54.9902 31.3284 175.8697 84 F 4.8678 9.1315 123.1505 55.6897 41.8555 177.2157 85 T 4.0755 8.8931 111.0836 64.3227 69.2038 175.3278 86 T 4.5259 7.7030 110.5584 58.4399 73.3300 174.6468 87 K 3.4841 7.2815 121.0502 59.5854 32.0668 179.3915 88 A 3.9475 7.6851 120.3046 55.1377 18.2473 179.2245 89 N 4.2265 8.0173 114.7441 56.5460 38.6349 177.0870 90 M 2.9118 8.0530 119.5900 58.3279 32.3087 178.3284 91 K 3.8745 8.2693 118.6786 59.4242 32.2746 179.1136 92 K 3.8075 8.3103 118.9723 59.9041 32.0255 178.5042 93 H 3.9996 8.0331 118.1803 59.3627 29.6288 176.6689 94 F 3.6868 8.4140 122.5953 61.7816 38.9652 176.5199 95 N 4.5303 8.9001 116.3318 56.0602 38.1498 176.9677 96 R 3.8565 8.3689 120.7293 59.4966 30.3008 177.8191 97 F 4.4650 8.4720 115.1381 58.1838 39.9034 175.3364 98 H 4.6362 7.5945 113.2685 57.2204 31.6026 173.9574 99 N 4.7777 8.4850 119.1453 53.0136 37.5066 175.3234 100 I 3.9288 7.4182 121.5270 64.0748 38.2956 176.9993 101 K 4.1647 7.9749 122.9676 56.6815 31.8420 176.6050 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 8.16 4.20 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 *11 K 7.58 4.36 0.00 1.73 1.65 0.00 1.60 0.00 0.00 2.46 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 1.31 7.81 12 R 8.10 4.01 0.00 1.63 1.77 0.00 3.29 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 13 Y 8.76 4.58 0.00 3.07 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 14 I 8.38 4.63 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.59 0.92 0.00 0.00 15 C 8.92 4.14 0.00 2.99 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 16 S 8.98 4.01 0.00 2.93 3.53 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 0.00 17 F 7.94 4.35 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.66 3.58 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 19 D 8.20 4.42 0.00 2.72 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 20 C 8.88 4.03 0.00 3.15 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 21 G 8.47 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 0.00 0.00 0.00 0.00 22 A 7.36 4.25 1.09 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 23 A 7.33 4.92 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 24 Y 9.03 4.66 0.00 2.78 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 25 N 8.92 3.96 0.00 2.55 2.73 0.00 0.00 6.78 6.38 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 26 K 7.79 4.22 0.00 1.31 1.13 0.00 2.11 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.47 7.81 27 N 9.20 4.45 0.00 2.98 3.06 0.00 0.00 6.73 7.92 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 28 W 8.52 4.54 0.00 3.61 3.35 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 29 K 6.62 3.16 0.00 1.16 0.94 0.00 0.88 0.00 0.00 1.15 0.00 0.00 2.60 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.53 7.81 30 L 7.71 3.97 0.00 1.96 1.88 1.21 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.62 4.01 0.00 2.56 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.55 0.00 0.00 0.00 0.00 0.00 2.82 2.70 0.00 32 A 8.16 4.10 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 33 H 8.48 4.11 0.00 3.10 3.56 0.00 5.81 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 34 L 8.76 4.26 0.00 1.91 1.89 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.63 4.41 0.00 4.13 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 0.00 36 K 8.04 3.92 0.00 1.67 1.78 0.00 1.52 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.67 7.81 37 H 7.88 4.41 0.00 3.12 2.57 0.00 5.69 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.41 4.25 4.47 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 1.49 0.00 0.00 39 G 8.26 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 0.00 0.00 0.00 40 E 7.98 4.31 0.00 2.03 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 0.00 2.36 2.31 0.00 41 K 8.07 4.66 0.00 1.72 1.80 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.58 7.81 42 P 0.00 4.16 0.00 1.65 1.81 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 43 F 8.49 4.92 0.00 3.25 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 44 P 0.00 5.03 0.00 2.13 2.10 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 45 C 9.33 4.18 0.00 3.20 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.36 0.00 1.98 1.98 0.00 1.88 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.52 1.41 7.81 47 E 7.91 3.85 0.00 2.06 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 2.37 2.52 0.00 48 E 8.72 4.02 0.00 1.95 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 0.00 2.33 2.40 0.00 49 G 8.61 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 50 C 7.42 4.43 0.00 3.04 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 51 E 7.74 4.42 0.00 2.00 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 2.32 2.36 0.00 52 K 7.79 4.24 0.00 2.06 1.79 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.80 1.50 7.81 53 G 8.43 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 54 F 9.52 4.70 0.00 3.37 3.25 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 0.00 55 T 8.82 4.58 4.39 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 1.32 0.00 0.00 56 S 7.73 4.68 0.00 4.03 4.41 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.95 3.48 0.00 0.39 1.08 0.75 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.37 4.17 0.00 3.15 3.06 0.00 5.97 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 7.51 4.26 0.00 3.51 3.57 0.00 5.70 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 60 L 7.00 2.57 0.00 1.42 1.33 0.64 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.27 3.65 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 1.04 0.00 0.00 62 R 8.22 3.90 0.00 2.04 2.18 0.00 2.90 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 63 H 8.23 4.17 0.00 3.38 3.17 0.00 5.80 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 64 S 8.11 4.08 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 65 L 8.17 4.20 0.00 1.82 1.77 1.17 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.01 3.89 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 1.31 0.00 0.00 67 H 7.86 4.39 0.00 3.25 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.27 4.08 4.23 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 1.22 0.00 0.00 69 G 8.20 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 70 E 7.93 4.19 0.00 1.96 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 2.29 2.21 0.00 71 K 7.54 4.21 0.00 1.69 1.67 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.44 7.81 72 N 8.25 4.77 0.00 1.98 2.32 0.00 0.00 7.30 7.73 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 73 F 8.29 4.26 0.00 3.30 3.19 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 74 T 8.15 4.65 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 1.29 0.00 0.00 75 C 9.55 4.23 0.00 3.31 3.25 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 0.00 76 D 8.84 4.91 0.00 2.73 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 77 S 7.84 4.43 0.00 3.84 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 78 D 8.78 4.38 0.00 2.69 2.63 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 79 G 9.08 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 0.00 0.00 0.00 0.00 80 C 7.17 4.44 0.00 3.07 2.94 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 81 D 7.64 5.10 0.00 2.70 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 82 L 7.60 4.00 0.00 1.54 0.96 0.67 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.17 4.86 0.00 1.54 1.76 0.00 3.11 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 84 F 9.13 4.87 0.00 3.24 3.05 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 0.00 0.00 0.00 85 T 8.89 4.08 4.35 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 1.27 0.00 0.00 86 T 7.70 4.53 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 1.25 0.00 0.00 87 K 7.28 3.48 0.00 1.45 1.65 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.97 0.24 7.81 88 A 7.69 3.95 1.25 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 0.00 0.00 0.00 89 N 8.02 4.23 0.00 3.06 3.04 0.00 0.00 6.78 7.39 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 90 M 8.05 2.91 0.00 2.25 2.37 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.63 0.00 91 K 8.27 3.87 0.00 1.86 1.80 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.55 7.81 92 K 8.31 3.81 0.00 1.86 1.88 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.63 7.81 93 H 8.03 4.00 0.00 2.85 2.53 0.00 5.80 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 94 F 8.41 3.69 0.00 3.22 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 95 N 8.90 4.53 0.00 3.01 2.84 0.00 0.00 6.94 7.71 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 96 R 8.37 3.86 0.00 1.88 2.42 0.00 3.56 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 97 F 8.47 4.46 0.00 2.40 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 98 H 7.59 4.64 0.00 2.51 2.95 0.00 5.65 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 8.48 4.78 0.00 2.90 3.07 0.00 0.00 7.43 7.71 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 0.00 100 I 7.42 3.93 1.85 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 1.51 0.79 0.88 0.00 0.00 101 K 7.97 4.16 0.00 1.76 1.74 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.