NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3521 8.2549 119.0568 55.1714 30.7979 177.2760 8 P 2.9700 0.0000 0.0000 61.9985 32.6180 173.7479 9 N 5.0731 8.9556 119.2350 52.0022 43.4468 173.5041 10 H 4.4119 9.1389 120.3593 59.2551 29.9813 175.3779 11 T 5.2376 8.9580 115.5514 62.3618 70.4066 174.1953 12 I 4.7133 8.6015 119.3008 59.3813 40.7417 173.6277 13 Y 4.5420 9.1838 126.2176 56.1037 40.6240 174.1011 14 I 4.6311 7.9232 128.0685 59.4724 40.2840 174.4883 15 N 5.1429 8.2987 124.6022 50.0639 41.2191 173.7372 16 N 4.2658 8.6506 114.1055 54.8778 37.2600 174.1321 17 L 4.5437 7.7220 114.4719 52.7668 43.4926 176.1942 18 N 4.4187 8.5436 119.4719 53.7335 38.9553 175.7692 19 E 4.2055 8.6767 125.6662 58.5668 29.9944 178.4563 20 K 4.0609 7.9231 117.8232 58.7008 32.3120 177.6122 21 I 3.7501 6.8544 119.2285 60.1301 37.6998 176.7084 22 K 4.1747 8.2968 124.6832 56.2806 34.4000 177.8965 23 K 3.8357 8.4982 120.5306 59.9960 32.1197 178.4223 24 D 4.3184 7.9941 117.5964 57.1118 41.2149 177.4809 25 E 3.9352 8.1311 119.3761 59.3897 29.6791 178.4022 26 L 4.2505 7.8194 119.8341 58.0336 41.9161 178.7621 27 K 3.9727 7.9852 119.4298 59.6425 31.7909 179.0104 28 K 4.1042 8.2058 118.6781 59.4200 31.7427 179.6196 29 S 4.4594 8.4864 115.3762 61.3224 63.0085 176.1159 30 L 4.2054 8.6031 121.5960 57.0187 41.3183 178.2636 31 H 4.3669 7.8744 116.8795 58.1674 29.9162 176.5878 32 A 4.1916 7.6379 120.7165 54.4585 18.2062 178.5484 33 I 4.0825 7.6135 116.4201 62.6112 38.6798 176.4999 34 F 5.0111 7.8132 115.6704 57.7252 39.3473 176.8148 35 S 4.3992 8.0091 117.9739 60.7666 63.4039 176.6601 36 R 3.9625 7.8094 116.7974 58.7000 29.4602 177.8080 37 F 4.2068 8.1884 116.2956 57.8593 39.1471 175.1912 38 G 4.3328 7.0306 106.8775 44.4287 0.0000 171.6270 39 Q 4.2731 8.0284 117.4095 55.8599 29.4184 175.0417 40 I 4.4535 8.0948 121.1218 59.8134 39.3977 175.5566 41 L 4.3094 8.6128 125.0038 56.7330 42.3878 177.0172 42 D 4.5112 7.5173 115.4152 53.3265 44.7240 173.9438 43 I 4.6686 8.4203 126.9702 59.8581 38.7172 174.9852 44 L 4.5095 8.8009 128.6901 53.7426 43.0153 176.1911 45 V 4.7442 8.4034 123.3569 61.1341 34.2684 174.5890 46 S 4.6931 8.6921 120.7052 56.7746 65.4890 173.5782 47 R 4.5479 8.4688 124.8858 55.9367 30.2040 175.9633 48 S 4.4594 7.4144 112.4751 57.4246 64.1600 174.6597 49 L 3.9559 8.5451 121.2728 58.3002 41.6896 178.1279 50 K 4.3376 7.9581 114.4495 57.4519 32.5087 177.0013 51 M 5.0516 7.6781 115.8121 53.6703 33.4105 176.1616 52 R 4.3759 7.2836 116.2581 56.1849 30.4878 176.5679 53 G 4.1750 8.7662 105.5286 46.7279 0.0000 172.9107 54 Q 4.8723 7.4215 113.4476 53.9226 33.7560 174.2605 55 A 4.8207 8.3758 122.0066 50.6873 23.3702 175.2922 56 F 5.1124 8.8969 120.0421 55.7731 42.0053 174.5875 57 V 4.2609 8.2750 124.6301 61.0403 33.5556 174.6479 58 I 4.4129 8.0248 129.7801 60.3930 38.0010 174.7629 59 F 5.0701 8.6539 126.9687 55.8854 39.4705 176.9323 60 K 4.1560 8.7161 124.2748 58.4510 32.2193 176.6975 61 E 4.7672 8.0500 118.0743 54.4365 31.5247 177.0580 62 V 3.6246 8.3010 122.1916 66.0637 31.7643 178.3725 63 S 4.1264 8.0385 112.4628 61.2578 61.9110 176.1941 64 S 4.1373 7.6715 116.7704 61.4074 62.4300 176.4211 65 A 3.3480 7.5411 122.7847 54.7291 18.1621 179.8195 66 T 3.9676 7.4875 114.5049 67.0196 68.7916 176.9520 67 N 4.3412 7.9253 117.5854 55.9396 38.4086 177.4283 68 A 2.5800 7.0931 122.0490 54.4415 18.5169 179.4779 69 L 3.7434 7.3156 118.9742 58.2867 41.8954 179.4129 70 R 3.9765 7.7752 117.1153 58.6079 29.9841 178.4375 71 S 4.5330 7.5022 113.1316 60.6297 63.9620 175.6890 72 M 4.2504 7.7398 119.0317 54.2209 31.9116 175.9179 73 Q 4.0556 7.0704 121.2766 57.2473 29.5377 176.7489 74 G 3.9787 8.9954 113.3165 45.4425 0.0000 173.5031 75 F 4.1130 7.8776 123.3681 57.3638 39.7946 172.4096 76 P 4.6254 0.0000 0.0000 62.2027 31.1263 175.4908 77 F 4.7809 9.3967 127.0764 57.2996 41.6898 174.6650 78 Y 3.7614 8.6307 126.9557 59.3422 34.8683 171.3840 79 D 4.6334 8.0930 116.0146 54.4371 40.2989 174.5800 80 K 4.7885 7.4425 118.9260 53.5011 34.6502 174.0110 81 P 4.8436 0.0000 0.0000 63.1109 32.2328 175.8919 82 M 4.4354 9.0521 123.4457 54.9973 33.7833 175.2394 83 R 4.9401 8.6521 122.7827 54.7665 32.6537 174.2636 84 I 4.9858 8.7371 127.4528 59.6565 39.8157 175.1827 85 Q 4.6088 9.0300 124.8362 53.8087 33.3029 174.3684 86 Y 4.7054 8.3432 117.6436 57.8139 38.6861 175.9982 87 A 4.3227 8.6281 126.8068 52.6683 18.8911 178.8671 88 K 4.0889 9.0477 122.8784 57.3168 32.0180 177.5656 89 T 4.8123 7.4054 106.8655 58.8153 71.6804 173.2367 90 D 4.4888 8.4007 121.8201 54.3698 41.5640 176.9346 91 S 4.4038 8.3732 118.7363 58.2152 62.5804 174.8299 92 D 4.5121 8.4345 119.9384 56.1101 40.8216 178.2144 93 I 4.1766 7.5926 118.0303 61.8674 38.8197 176.1514 94 I 4.0715 7.6679 119.3260 63.0077 38.1359 176.8656 95 A 4.0695 8.2992 124.7740 55.0928 18.4037 178.0882 96 K 4.2187 7.3134 120.5211 54.6984 32.5676 177.5558 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 *7 R 8.25 4.35 0.00 1.85 1.63 0.00 3.24 0.00 0.00 3.22 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 8 P 0.00 2.97 0.00 1.80 1.40 0.00 3.37 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 9 N 8.96 5.07 0.00 2.68 2.95 0.00 0.00 7.04 7.89 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 10 H 9.14 4.41 0.00 3.26 3.59 0.00 5.85 0.00 0.00 0.00 0.00 6.81 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 5.24 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 12 I 8.60 4.71 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.97 0.00 0.00 13 Y 9.18 4.54 0.00 2.90 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 14 I 7.92 4.63 1.54 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.31 0.79 0.00 0.00 15 N 8.30 5.14 0.00 2.63 2.54 0.00 0.00 6.47 6.67 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 16 N 8.65 4.27 0.00 2.86 2.93 0.00 0.00 6.86 7.78 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 17 L 7.72 4.54 0.00 1.70 1.69 0.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.54 4.42 0.00 2.85 2.55 0.00 0.00 6.95 7.65 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 19 E 8.68 4.21 0.00 1.98 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 2.39 2.48 0.00 20 K 7.92 4.06 0.00 2.05 1.79 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.47 1.28 7.81 21 I 6.85 3.75 1.37 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.55 0.00 0.00 22 K 8.30 4.17 0.00 1.96 1.92 0.00 1.51 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.48 7.81 23 K 8.50 3.84 0.00 1.81 1.86 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.46 7.81 24 D 7.99 4.32 0.00 2.80 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 25 E 8.13 3.94 0.00 2.10 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 2.54 2.47 0.00 26 L 7.82 4.25 0.00 1.94 1.72 1.21 0.73 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 27 K 7.99 3.97 0.00 2.02 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.60 7.81 28 K 8.21 4.10 0.00 2.09 1.90 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.27 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.62 7.81 29 S 8.49 4.46 0.00 4.47 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 0.00 30 L 8.60 4.21 0.00 1.80 1.70 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.87 4.37 0.00 3.35 3.48 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.64 4.19 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 33 I 7.61 4.08 1.46 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 1.54 0.75 0.45 0.00 0.00 34 F 7.81 5.01 0.00 3.15 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.01 4.40 0.00 4.02 4.22 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 36 R 7.81 3.96 0.00 1.63 1.88 0.00 2.21 0.00 0.00 2.70 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.00 37 F 8.19 4.21 0.00 3.08 3.11 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 38 G 7.03 4.33 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 0.00 0.00 0.00 39 Q 8.03 4.27 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 40 I 8.09 4.45 1.79 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 0.74 0.52 0.73 0.00 0.00 41 L 8.61 4.31 0.00 1.58 1.70 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.52 4.51 0.00 2.66 2.43 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 43 I 8.42 4.67 1.87 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 1.19 0.64 0.88 0.00 0.00 44 L 8.80 4.51 0.00 1.77 1.66 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.40 4.74 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 0.80 0.00 0.00 0.96 0.00 0.00 46 S 8.69 4.69 0.00 3.87 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 47 R 8.47 4.55 0.00 1.76 1.86 0.00 3.50 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 48 S 7.41 4.46 0.00 4.16 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 49 L 8.55 3.96 0.00 1.62 1.75 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.96 4.34 0.00 1.80 1.88 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.54 7.81 51 M 7.68 5.05 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 52 R 7.28 4.38 0.00 1.97 2.28 0.00 3.25 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 53 G 8.77 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 54 Q 7.42 4.87 0.00 2.25 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 55 A 8.38 4.82 1.02 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 56 F 8.90 5.11 0.00 3.02 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 57 V 8.27 4.26 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 0.20 0.00 0.00 0.47 0.00 0.00 58 I 8.02 4.41 1.82 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 1.25 0.63 0.93 0.00 0.00 59 F 8.65 5.07 0.00 3.20 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.72 4.16 0.00 1.82 1.93 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.46 7.81 61 E 8.05 4.77 0.00 2.09 1.86 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 2.39 2.26 0.00 62 V 8.30 3.62 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 0.93 0.00 0.00 0.73 0.00 0.00 63 S 8.04 4.13 0.00 3.92 3.84 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 64 S 7.67 4.14 0.00 4.13 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 65 A 7.54 3.35 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.49 3.97 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 1.30 0.00 0.00 67 N 7.93 4.34 0.00 2.80 3.07 0.00 0.00 6.97 7.85 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 68 A 7.09 2.58 0.91 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 69 L 7.32 3.74 0.00 1.51 1.59 -0.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.78 3.98 0.00 1.93 1.96 0.00 3.20 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 71 S 7.50 4.53 0.00 3.96 3.99 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 72 M 7.74 4.25 0.00 1.77 2.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.10 0.00 73 Q 7.07 4.06 0.00 2.35 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 74 G 9.00 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 0.00 0.00 0.00 75 F 7.88 4.11 0.00 2.99 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 76 P 0.00 4.63 0.00 1.74 1.84 0.00 2.34 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 77 F 9.40 4.78 0.00 3.21 3.06 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 0.00 0.00 0.00 78 Y 8.63 3.76 0.00 2.89 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 79 D 8.09 4.63 0.00 2.83 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 80 K 7.44 4.79 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.37 7.81 81 P 0.00 4.84 0.00 2.09 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 82 M 9.05 4.44 0.00 2.07 2.30 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.65 0.00 83 R 8.65 4.94 0.00 1.90 1.97 0.00 3.07 0.00 0.00 3.19 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 84 I 8.74 4.99 1.79 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.79 0.83 0.00 0.00 85 Q 9.03 4.61 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 86 Y 8.34 4.71 0.00 2.91 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 87 A 8.63 4.32 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.05 4.09 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.41 4.81 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 90 D 8.40 4.49 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 91 S 8.37 4.40 0.00 3.89 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 92 D 8.43 4.51 0.00 2.74 2.67 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 93 I 7.59 4.18 1.85 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 1.40 0.78 0.90 0.00 0.00 94 I 7.67 4.07 1.82 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 1.32 0.94 0.69 0.00 0.00 95 A 8.30 4.07 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 96 K 7.31 4.22 0.00 1.89 1.53 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.20 7.81 * Residues marked with a * may have inaccurate shift predictions.