NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *7 R 4.3506 8.2549 119.0643 55.2665 31.2051 174.6366 8 P 2.9700 0.0000 0.0000 62.9725 31.7795 173.8632 9 N 5.0409 8.5654 118.8746 52.3250 43.1636 173.9029 10 H 4.3761 9.0983 119.1144 58.6092 29.3148 175.5965 11 T 5.0056 8.1548 116.3157 61.9757 70.5299 173.8468 12 I 4.7510 8.2606 119.8975 59.5109 40.0432 174.1172 13 Y 4.0338 9.0331 128.9949 57.0429 39.8367 173.8059 14 I 4.6010 7.8709 128.5745 59.5076 40.0116 174.7821 15 N 4.7870 8.2793 123.7540 51.4835 41.2494 173.9375 16 N 4.0135 8.7045 114.6649 54.8341 37.2939 174.2149 17 L 4.4976 7.5799 115.1027 53.0921 42.7209 176.4143 18 N 4.4477 8.5936 120.1283 53.7416 39.0668 175.1184 19 E 4.1441 8.7339 125.1336 58.7347 29.9992 178.5345 20 K 4.1810 7.8285 116.6053 57.6179 32.2259 176.7904 21 I 4.1294 6.7189 119.3109 59.1177 38.0478 175.9911 22 K 4.1466 8.2079 123.5557 56.1009 32.9652 178.0845 23 K 3.9556 8.6675 121.3237 59.8889 31.6611 178.6883 24 D 4.3386 8.0040 118.0479 57.2789 41.3622 177.7879 25 E 4.1292 8.1356 117.3932 58.8319 29.7312 178.7269 26 L 4.2100 7.6916 120.8557 58.1569 41.4987 178.7676 27 K 3.9853 7.9985 118.0588 59.3180 31.7890 179.0061 28 K 4.4605 7.9036 117.4229 58.6556 32.1415 179.3388 29 S 4.4233 8.2487 115.2971 60.4487 63.1939 175.5318 30 L 4.6486 8.2136 120.4817 56.0835 40.2085 177.2142 31 H 4.5844 7.7650 120.4123 58.0257 29.8577 176.7089 32 A 3.9024 7.8689 121.7564 54.1186 18.3854 178.4222 33 I 4.0892 7.5909 117.0295 62.9803 38.7375 177.2660 34 F 4.9211 7.8364 115.3285 58.5506 39.0487 177.6957 35 S 4.3027 7.7732 115.1322 61.1205 62.5527 176.1154 36 R 3.7744 7.1951 120.5018 59.5395 29.6973 178.0417 37 F 4.5004 7.7817 114.5783 58.5803 39.3818 175.6850 38 G 3.9976 7.1836 102.7105 45.5590 0.0000 170.6372 39 Q 4.2407 8.1866 121.2273 56.1105 30.0101 175.5448 40 I 4.3305 8.2859 127.6764 60.5082 38.0623 175.6107 41 L 4.2638 8.9397 128.5231 56.8407 42.0193 176.7715 42 D 4.5930 7.6841 116.1492 53.2609 44.8011 173.2439 43 I 4.3497 8.4018 126.6018 59.9413 38.7930 174.8085 44 L 4.6960 8.3718 127.5836 53.1141 43.5343 175.7445 45 V 4.6195 8.4218 123.4454 61.1334 34.2727 174.4115 46 S 4.8285 8.8900 120.8255 56.6525 65.3074 172.9286 47 R 4.5949 8.2750 119.1188 55.5295 30.7755 174.9208 48 S 4.4204 7.7948 110.8715 57.4645 63.7612 173.8295 49 L 4.0505 8.5865 122.4874 58.4243 41.6342 178.5089 50 K 4.1666 7.9954 116.5309 59.3989 32.3085 178.9280 51 M 4.5106 7.5894 117.6425 55.2799 32.4098 177.3242 52 R 4.1616 8.0320 120.6012 58.1893 29.9382 175.2649 53 G 4.0295 9.6094 114.6313 45.0678 0.0000 171.0856 54 Q 4.8979 7.6904 114.8647 54.1233 31.8818 173.7598 55 A 4.8223 8.7504 121.3437 50.6546 23.4404 175.1517 56 F 4.9583 8.5359 117.0542 54.3011 40.4304 172.9575 57 V 3.6647 7.7479 121.7256 62.4439 33.1141 174.1214 58 I 4.6518 8.0356 129.2661 59.8754 38.7084 175.3320 59 F 4.8938 8.4869 126.5162 56.3383 40.0291 176.4657 60 K 4.2276 9.1854 122.8887 58.9489 32.2823 176.8885 61 E 4.8249 8.1394 119.3141 53.7643 32.7188 176.5096 62 V 3.6255 8.2798 123.4697 66.0669 31.4789 178.0938 63 S 4.0765 8.1556 112.4762 61.8043 62.0228 176.3912 64 S 3.9329 7.7091 116.0910 61.3463 62.4853 176.5073 65 A 3.7250 7.5689 123.1397 54.9902 18.0250 179.9748 66 T 3.9064 7.6891 114.1150 66.9715 68.7398 176.6699 67 N 4.2728 7.7857 118.2867 56.0624 38.4898 177.4197 68 A 2.0000 7.2188 122.2439 54.3201 18.1107 179.4839 69 L 3.7598 7.5710 118.8913 58.1687 41.8620 179.4650 70 R 3.7831 7.7702 117.2991 59.1629 30.1071 178.6091 71 S 4.4432 7.8177 113.3835 60.3668 63.6543 175.5560 72 M 4.2980 7.7857 119.2807 53.8578 32.1195 175.7267 73 Q 4.1061 7.0169 121.6779 57.4271 29.4756 176.4529 74 G 3.9235 8.7906 113.0639 45.6425 0.0000 173.0428 75 F 4.1821 8.0819 123.3082 56.9728 39.7307 172.6862 76 P 4.5332 0.0000 0.0000 62.2965 31.2077 175.7085 77 F 4.6696 9.1721 126.2598 57.2548 41.6787 174.2586 78 Y 3.4162 8.5728 127.6396 59.3930 34.7929 171.1142 79 D 4.5044 8.1666 115.4210 54.4971 39.7932 174.3044 80 K 4.7576 7.4460 120.0063 53.4122 34.9733 173.7632 81 P 4.6810 0.0000 0.0000 63.0135 31.8500 176.3360 82 M 4.3641 9.4870 125.1048 55.2358 33.7110 175.5037 83 R 4.7388 8.7422 121.9860 54.8557 32.8467 174.1089 84 I 4.8636 8.3519 127.8390 59.6652 39.1675 175.3384 85 Q 4.6956 9.2659 125.2746 53.8215 32.9459 174.4427 86 Y 4.7284 8.3963 117.6870 57.5891 38.8069 175.8618 87 A 4.2708 8.8205 127.6930 52.7131 18.6543 178.8320 88 K 4.1045 9.0048 123.5263 56.9980 32.0743 175.8920 89 T 4.8290 7.4419 106.5982 59.1043 71.8853 172.9562 90 D 4.5788 8.3893 121.7356 54.0936 41.7478 177.0195 91 S 4.3684 8.4252 119.2748 58.3337 63.5814 174.6048 92 D 4.7113 8.4953 121.1406 53.8883 38.8488 176.8196 93 I 4.3403 7.6206 121.3495 62.3612 39.0465 176.7275 94 I 3.8874 7.6894 120.3998 63.5470 37.3709 177.7268 95 A 4.1857 8.1450 124.8089 55.4355 18.4535 177.9218 96 K 4.1897 7.3480 121.4721 54.9699 31.6651 180.2246 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 1.84 0.00 3.23 0.00 0.00 3.22 7.38 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 1.81 1.46 0.00 3.43 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 9 N 8.57 5.04 0.00 2.68 2.98 0.00 0.00 7.06 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 9.10 4.38 0.00 3.35 3.45 0.00 5.85 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 11 T 8.15 5.01 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 8.26 4.75 1.74 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 0.91 0.99 0.86 0.00 0.00 13 Y 9.03 4.03 0.00 2.96 2.92 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 14 I 7.87 4.60 1.54 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.55 0.78 0.00 0.00 15 N 8.28 4.79 0.00 2.56 2.39 0.00 0.00 6.26 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 16 N 8.70 4.01 0.00 2.85 2.93 0.00 0.00 6.89 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 7.58 4.50 0.00 1.76 1.72 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.59 4.45 0.00 2.69 2.55 0.00 0.00 7.07 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 8.73 4.14 0.00 2.05 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 2.39 2.32 0.00 20 K 7.83 4.18 0.00 1.95 1.78 0.00 1.80 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 6.72 4.13 1.40 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.16 0.62 0.00 0.00 22 K 8.21 4.15 0.00 1.80 1.72 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.39 7.81 23 K 8.67 3.96 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.53 1.65 7.81 24 D 8.00 4.34 0.00 2.84 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 25 E 8.14 4.13 0.00 2.30 2.23 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 2.36 2.43 0.00 26 L 7.69 4.21 0.00 2.03 1.93 1.28 0.60 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 27 K 8.00 3.99 0.00 2.06 1.89 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.66 7.81 28 K 7.90 4.46 0.00 1.89 1.90 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.50 7.81 29 S 8.25 4.42 0.00 4.47 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 0.00 30 L 8.21 4.65 0.00 1.99 1.57 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.76 4.58 0.00 3.66 3.35 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.87 3.90 1.42 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 0.00 0.00 0.00 33 I 7.59 4.09 1.59 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 1.55 1.35 0.35 0.00 0.00 34 F 7.84 4.92 0.00 3.30 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 35 S 7.77 4.30 0.00 4.07 4.21 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 0.00 0.00 0.00 0.00 36 R 7.20 3.77 0.00 1.51 1.68 0.00 2.69 0.00 0.00 2.82 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 37 F 7.78 4.50 0.00 2.99 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 38 G 7.18 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 0.00 0.00 0.00 39 Q 8.19 4.24 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 40 I 8.29 4.33 1.74 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.64 0.73 0.00 0.00 41 L 8.94 4.26 0.00 1.49 1.71 0.99 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 D 7.68 4.59 0.00 2.75 2.44 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 43 I 8.40 4.35 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.64 0.88 0.00 0.00 44 L 8.37 4.70 0.00 1.61 1.64 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.42 4.62 2.12 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 0.81 0.00 0.00 0.96 0.00 0.00 46 S 8.89 4.83 0.00 3.86 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 47 R 8.28 4.59 0.00 1.74 1.83 0.00 3.32 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 48 S 7.79 4.42 0.00 4.06 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 49 L 8.59 4.05 0.00 1.61 1.78 0.93 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.00 4.17 0.00 1.82 1.89 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.48 7.81 51 M 7.59 4.51 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 52 R 8.03 4.16 0.00 2.06 1.89 0.00 3.29 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 53 G 9.61 4.03 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 0.00 54 Q 7.69 4.90 0.00 1.74 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 55 A 8.75 4.82 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.54 4.96 0.00 2.94 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 7.75 3.66 1.65 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 0.40 0.00 0.00 0.45 0.00 0.00 58 I 8.04 4.65 1.94 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 1.28 0.78 0.95 0.00 0.00 59 F 8.49 4.89 0.00 3.10 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 60 K 9.19 4.23 0.00 2.03 1.94 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.59 7.81 61 E 8.14 4.82 0.00 2.10 1.77 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 2.27 2.31 0.00 62 V 8.28 3.63 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 0.92 0.00 0.00 0.63 0.00 0.00 63 S 8.16 4.08 0.00 3.90 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 7.71 3.93 0.00 3.73 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 65 A 7.57 3.73 1.51 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 0.00 0.00 0.00 66 T 7.69 3.91 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 1.27 0.00 0.00 67 N 7.79 4.27 0.00 2.82 3.03 0.00 0.00 6.96 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 68 A 7.22 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.57 3.76 0.00 1.61 1.57 -0.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 70 R 7.77 3.78 0.00 1.96 1.95 0.00 3.19 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 71 S 7.82 4.44 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.30 0.00 1.78 2.04 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.27 0.00 73 Q 7.02 4.11 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 74 G 8.79 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 75 F 8.08 4.18 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 4.53 0.00 1.75 1.84 0.00 2.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 77 F 9.17 4.67 0.00 3.20 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 78 Y 8.57 3.42 0.00 2.93 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 79 D 8.17 4.50 0.00 2.85 2.81 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 80 K 7.45 4.76 0.00 1.83 1.86 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.52 7.81 81 P 0.00 4.68 0.00 2.09 2.07 0.00 3.78 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 9.49 4.36 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.68 0.00 83 R 8.74 4.74 0.00 1.86 1.93 0.00 3.19 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 84 I 8.35 4.86 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.76 0.00 0.00 85 Q 9.27 4.70 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 86 Y 8.40 4.73 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 8.82 4.27 1.51 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 0.00 0.00 0.00 88 K 9.00 4.10 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 89 T 7.44 4.83 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 8.39 4.58 0.00 2.69 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 91 S 8.43 4.37 0.00 3.88 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 92 D 8.50 4.71 0.00 2.76 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 93 I 7.62 4.34 1.86 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 1.29 0.94 0.90 0.00 0.00 94 I 7.69 3.89 1.80 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.53 0.61 0.00 0.00 95 A 8.15 4.19 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 96 K 7.35 4.19 0.00 1.96 1.60 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.