NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6700 8.4201 119.2103 53.1047 40.1074 174.3339 0 A 3.8613 8.7567 127.3403 54.1256 18.5449 175.7595 1 M 4.3548 8.8881 115.3929 53.7089 34.1577 172.8471 2 H 4.6827 9.4848 125.8466 55.0728 30.9245 173.9876 3 F 5.1011 8.7684 125.4212 56.8803 40.1214 175.4827 4 S 4.7946 9.1380 116.4015 57.1726 66.8274 172.9520 5 I 4.8344 9.3113 121.9960 57.5856 36.3416 173.4367 6 P 4.4037 0.0000 0.0000 64.9418 32.0450 177.4600 7 E 4.9505 7.9272 116.4163 54.4112 33.9694 174.8895 8 T 5.0337 8.3362 111.5712 60.3176 71.9853 172.6756 9 E 4.6862 8.6574 118.6362 55.3128 33.4292 174.2299 10 S 4.7206 8.4427 117.5217 58.2370 63.7940 173.5242 11 R 4.5376 8.2899 124.1357 54.6187 34.1553 173.4293 12 S 4.7976 7.9485 116.3903 56.3774 66.9967 174.5334 *15 S 4.2790 8.5571 113.3980 58.3287 62.5312 174.7742 16 G 3.6161 7.6069 107.5748 43.0747 0.0000 177.5987 17 G 3.8980 7.8834 109.4980 43.3473 0.0000 172.6600 18 S 4.3148 8.2343 112.3099 57.7575 63.6839 173.8757 19 A 4.4896 8.3192 123.8882 52.3740 19.1541 176.0804 20 Y 4.9386 7.9061 117.4387 55.0509 42.4656 174.3209 21 V 4.3241 8.6462 119.9621 62.4821 32.3121 174.7354 22 A 5.1054 9.1782 130.3815 50.6174 21.7499 174.7835 23 Y 4.6255 9.2568 120.3183 56.4848 40.1644 175.1122 24 N 4.7010 9.0140 123.2642 52.5749 39.2971 173.9795 25 I 4.5267 9.0304 126.3823 60.9939 38.6825 174.8596 26 H 5.4144 9.5544 125.2742 54.2344 31.4851 174.1275 27 V 4.3757 8.2732 121.9471 61.4611 33.9707 175.3993 28 N 4.4458 9.8604 126.1269 54.5267 36.5693 175.3866 29 G 4.0346 8.6604 103.1977 45.6674 0.0000 174.2142 30 V 4.4161 7.3975 111.7305 58.4578 35.2287 174.9093 31 L 3.9588 8.2262 124.1553 56.0778 42.4666 175.4610 32 H 4.8139 9.4868 126.2584 57.6327 31.5134 173.9629 33 C 4.8381 7.9029 110.7985 57.1247 32.8317 172.0140 34 R 5.2028 8.8888 121.6367 54.9716 31.5105 175.5600 35 V 4.9838 8.8115 118.3395 59.9660 36.7701 174.6775 36 R 5.1117 9.1611 119.8022 55.2368 31.7296 176.7495 37 Y 4.1115 9.1556 120.0535 61.1314 38.5899 178.4488 38 S 4.2859 8.2527 114.4593 61.3059 63.1566 176.4368 39 Q 4.0527 8.0342 121.3686 58.9589 28.5633 178.3923 40 L 3.8203 7.7554 120.1800 57.4173 41.5115 179.2626 41 L 2.8586 8.0215 120.9188 57.7129 41.8863 179.2515 42 G 3.5277 7.9958 105.6480 47.5603 0.0000 175.1941 43 L 3.7573 7.7008 122.7304 58.1398 41.9076 178.5474 44 H 4.0343 7.6454 119.3366 58.7515 29.6836 177.0410 45 E 3.8234 8.1568 120.5579 59.3146 29.2286 179.3041 46 Q 3.9651 8.3187 118.5077 59.0523 28.8043 179.0321 47 L 4.1538 8.0532 120.0248 57.8105 41.6141 179.5648 48 R 3.9347 8.1783 119.0340 59.0305 29.7295 178.5486 49 K 3.8468 7.7830 118.7211 59.5188 32.3420 178.2044 50 E 3.8081 7.9317 118.1746 58.5744 29.6375 177.3205 51 Y 4.5807 8.2126 113.9097 58.3052 39.5667 177.0748 52 G 3.7448 8.3373 108.1787 44.3972 0.0000 172.7955 53 A 4.1971 8.2954 121.2559 52.8315 19.2657 176.8740 54 N 4.3261 8.8342 117.7474 54.9463 37.1464 175.2390 55 V 4.2229 7.8493 116.2281 63.2494 33.9073 175.8888 56 L 4.2481 7.6778 117.7865 53.3966 42.2863 174.8650 57 P 4.4406 0.0000 0.0000 61.9395 32.0029 176.2344 58 A 4.1383 8.4634 123.4345 52.3539 18.7108 177.0134 59 F 4.1919 8.4377 125.4029 55.6010 40.7139 173.7236 60 P 4.1499 0.0000 0.0000 61.8991 31.6602 174.6306 61 P 4.5419 0.0000 0.0000 62.2030 32.1059 176.4134 62 K 4.1638 8.4930 119.3680 56.4071 32.7062 176.7192 63 K 4.6366 8.1142 120.8023 54.8022 34.8266 176.3690 64 L 4.1689 8.3023 120.6479 54.9136 42.2426 176.6201 65 F 4.9831 7.4712 116.6855 54.7818 42.4890 174.8692 66 S 4.2474 8.7510 117.8519 58.6449 63.2052 174.0771 67 L 4.5209 8.3189 123.6435 54.3191 42.3959 177.6906 68 T 4.1368 8.6487 113.8805 60.9803 70.7910 173.7483 69 P 4.1782 0.0000 0.0000 65.9302 31.2659 178.8379 70 A 4.0434 7.9249 119.0843 55.0901 18.3249 179.3943 71 E 3.9489 8.2154 117.2831 59.3485 29.4408 179.6586 72 V 3.6658 8.1120 118.6927 66.0069 31.6266 177.7226 73 E 3.9708 8.2281 119.0721 59.2889 29.5089 178.5400 74 Q 3.9547 8.1821 119.6165 59.2404 29.1615 178.1936 75 R 3.8265 8.4132 120.1749 59.2059 29.9799 178.4161 76 R 3.9989 8.5572 118.9516 59.5868 30.1680 178.1916 77 E 3.9827 8.2692 118.2674 59.8004 29.4262 179.5928 78 Q 3.9998 8.1746 117.8365 58.8518 28.7753 178.6956 79 L 3.8484 8.3219 120.5295 57.4990 41.6780 179.1595 80 E 3.9818 8.4682 119.6638 59.2821 29.5898 178.8952 81 K 4.0040 8.1305 119.7151 59.3116 31.9053 178.2020 82 Y 3.9875 8.2395 120.1591 61.0681 38.8138 178.0155 83 M 3.7972 8.1333 119.5078 58.3285 31.9865 178.8501 84 Q 4.0071 7.9420 117.6922 58.8847 28.9865 178.7003 85 A 3.8886 8.0195 121.9589 54.8355 18.1392 179.9122 86 V 2.9836 7.1703 116.1542 65.8604 31.6630 177.7453 87 R 3.9610 7.3909 118.3247 59.7829 29.6863 178.4761 88 Q 4.0558 7.8257 116.3342 57.5725 29.0704 176.8173 89 D 4.2788 7.4129 120.2462 53.5432 41.7071 174.4739 90 P 4.1284 0.0000 0.0000 65.9642 31.5983 177.9981 91 L 3.9462 7.8455 118.6185 58.1623 42.0238 178.8148 92 L 3.6425 8.0300 118.7436 57.6574 41.4016 179.9472 93 G 3.8162 8.1019 105.6178 46.3601 0.0000 174.2234 94 S 4.7565 7.3339 114.9672 58.2155 63.7594 175.1502 95 S 4.4693 7.8032 117.3409 57.9573 64.8652 174.6907 96 E 4.0158 8.8839 123.9510 59.8646 29.4139 179.1662 97 T 3.9263 8.0876 115.2620 66.6975 68.6219 175.8964 98 F 4.3470 8.3961 122.1077 61.8060 39.5273 177.1078 99 N 4.3323 8.4174 115.9517 56.2914 38.2821 177.7567 100 S 4.1734 8.6878 117.2655 61.2679 62.8153 176.2525 101 F 3.9870 8.3208 123.4505 61.3982 39.1255 177.2023 102 L 4.0860 8.0370 118.4062 57.9270 41.4144 179.7240 103 R 3.8997 8.0056 117.9615 59.3302 29.9323 179.1874 104 R 3.8074 7.9515 118.2451 59.1237 29.8254 178.3124 105 A 3.7603 7.7268 120.0561 55.0331 18.6238 179.0706 106 Q 4.2945 8.0002 119.2921 59.0307 28.9305 178.3586 107 Q 3.9800 7.8435 117.6080 59.1958 28.8530 178.6239 108 E 4.1371 8.1628 117.7197 58.2984 29.6643 177.6010 109 T 4.3060 7.5560 120.5265 63.6333 68.8524 174.2675 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 N 8.42 4.67 0.00 2.75 2.86 0.00 0.00 6.97 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 8.76 3.86 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 1 M 8.89 4.35 0.00 1.67 2.08 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 2 H 9.48 4.68 0.00 3.23 3.32 0.00 5.77 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.77 5.10 0.00 2.97 2.99 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 4 S 9.14 4.79 0.00 3.89 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 5 I 9.31 4.83 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.66 1.17 0.00 0.00 6 P 0.00 4.40 0.00 2.12 2.13 0.00 3.90 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.55 0.00 7 E 7.93 4.95 0.00 1.90 1.81 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 2.29 2.27 0.00 8 T 8.34 5.03 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 1.05 0.00 0.00 9 E 8.66 4.69 0.00 1.95 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 2.16 2.22 0.00 10 S 8.44 4.72 0.00 3.70 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 11 R 8.29 4.54 0.00 1.64 1.09 0.00 3.06 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.45 0.00 12 S 7.95 4.80 0.00 3.70 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 *15 S 8.56 4.28 0.00 3.88 3.91 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 16 G 7.61 3.62 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 0.00 0.00 0.00 17 G 7.88 3.90 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 0.00 0.00 0.00 18 S 8.23 4.31 0.00 4.05 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 19 A 8.32 4.49 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 20 Y 7.91 4.94 0.00 3.12 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 21 V 8.65 4.32 2.15 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 0.35 0.00 0.00 0.93 0.00 0.00 22 A 9.18 5.11 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 23 Y 9.26 4.63 0.00 3.11 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 24 N 9.01 4.70 0.00 2.89 2.92 0.00 0.00 6.56 7.46 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 25 I 9.03 4.53 2.21 0.00 0.00 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 1.45 0.96 1.27 0.00 0.00 26 H 9.55 5.41 0.00 3.07 3.25 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.27 4.38 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 0.66 0.00 0.00 0.17 0.00 0.00 28 N 9.86 4.45 0.00 2.80 2.85 0.00 0.00 7.12 7.42 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 29 G 8.66 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 30 V 7.40 4.42 2.04 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 0.77 0.00 0.00 0.93 0.00 0.00 31 L 8.23 3.96 0.00 1.45 1.51 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 H 9.49 4.81 0.00 3.22 3.43 0.00 5.67 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 33 C 7.90 4.84 0.00 3.13 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 34 R 8.89 5.20 0.00 1.87 1.92 0.00 3.28 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 35 V 8.81 4.98 2.35 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 0.76 0.00 0.00 1.18 0.00 0.00 36 R 9.16 5.11 0.00 2.02 2.10 0.00 2.21 0.00 0.00 2.79 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 37 Y 9.16 4.11 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 38 S 8.25 4.29 0.00 4.11 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 39 Q 8.03 4.05 0.00 2.44 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 40 L 7.76 3.82 0.00 1.78 1.83 0.96 0.54 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 41 L 8.02 2.86 0.00 1.13 1.54 0.74 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.00 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 0.00 0.00 0.00 43 L 7.70 3.76 0.00 0.66 1.40 0.77 0.49 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 44 H 7.65 4.03 0.00 2.27 2.47 0.00 5.88 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 45 E 8.16 3.82 0.00 2.06 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 2.25 2.29 0.00 46 Q 8.32 3.97 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 47 L 8.05 4.15 0.00 1.86 1.76 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.18 3.93 0.00 1.74 2.00 0.00 3.15 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 49 K 7.78 3.85 0.00 1.82 1.93 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.39 7.81 50 E 7.93 3.81 0.00 1.74 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 51 Y 8.21 4.58 0.00 3.06 2.93 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 52 G 8.34 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 53 A 8.30 4.20 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 54 N 8.83 4.33 0.00 2.86 2.94 0.00 0.00 6.75 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 55 V 7.85 4.22 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 0.82 0.00 0.00 1.00 0.00 0.00 56 L 7.68 4.25 0.00 1.75 1.74 0.86 1.02 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 57 P 0.00 4.44 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.91 0.00 58 A 8.46 4.14 1.28 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 0.00 0.00 59 F 8.44 4.19 0.00 2.15 2.53 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 60 P 0.00 4.15 0.00 1.74 1.73 0.00 2.20 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.72 0.00 61 P 0.00 4.54 0.00 2.16 2.05 0.00 3.66 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 1.92 1.95 0.00 62 K 8.49 4.16 0.00 1.81 1.83 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.65 7.81 63 K 8.11 4.64 0.00 1.62 1.68 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.14 1.27 7.81 64 L 8.30 4.17 0.00 0.88 1.05 0.82 0.65 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 65 F 7.47 4.98 0.00 3.01 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 66 S 8.75 4.25 0.00 4.01 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 67 L 8.32 4.52 0.00 1.66 1.65 0.92 0.89 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 68 T 8.65 4.14 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 1.26 0.00 0.00 69 P 0.00 4.18 0.00 2.17 2.15 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 70 A 7.92 4.04 1.31 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 0.00 0.00 0.00 71 E 8.22 3.95 0.00 2.27 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 0.00 2.32 2.31 0.00 72 V 8.11 3.67 2.24 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 1.05 0.00 0.00 1.00 0.00 0.00 73 E 8.23 3.97 0.00 2.16 2.08 0.00 0.00 0.00 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 2.38 0.00 74 Q 8.18 3.95 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 75 R 8.41 3.83 0.00 1.91 2.21 0.00 3.22 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 76 R 8.56 4.00 0.00 2.28 2.23 0.00 3.45 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 77 E 8.27 3.98 0.00 2.24 2.01 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 2.36 2.69 0.00 78 Q 8.17 4.00 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 79 L 8.32 3.85 0.00 1.65 1.58 0.11 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.47 3.98 0.00 2.20 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 2.36 2.45 0.00 81 K 8.13 4.00 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 82 Y 8.24 3.99 0.00 3.08 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 83 M 8.13 3.80 0.00 1.41 1.97 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.00 0.00 84 Q 7.94 4.01 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.61 0.00 85 A 8.02 3.89 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 86 V 7.17 2.98 1.14 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 -0.50 0.00 0.00 -0.12 0.00 0.00 87 R 7.39 3.96 0.00 2.18 2.19 0.00 3.40 0.00 0.00 3.58 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.87 0.00 88 Q 7.83 4.06 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.59 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 89 D 7.41 4.28 0.00 2.63 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 0.00 0.00 0.00 0.00 90 P 0.00 4.13 0.00 2.02 2.07 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 91 L 7.85 3.95 0.00 1.63 1.63 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.03 3.64 0.00 1.51 1.25 0.68 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.10 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.33 4.76 0.00 3.89 3.91 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 95 S 7.80 4.47 0.00 4.32 4.07 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 96 E 8.88 4.02 0.00 2.11 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 2.43 2.46 0.00 97 T 8.09 3.93 4.44 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 1.30 0.00 0.00 98 F 8.40 4.35 0.00 3.01 3.09 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 99 N 8.42 4.33 0.00 2.97 2.88 0.00 0.00 7.13 7.35 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 0.00 100 S 8.69 4.17 0.00 3.92 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 0.00 101 F 8.32 3.99 0.00 3.28 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 0.00 102 L 8.04 4.09 0.00 1.85 1.76 0.45 1.12 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 0.00 103 R 8.01 3.90 0.00 1.86 1.96 0.00 3.12 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 104 R 7.95 3.81 0.00 1.86 1.87 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 105 A 7.73 3.76 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 8.00 4.29 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 107 Q 7.84 3.98 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 108 E 8.16 4.14 0.00 2.01 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 2.46 2.41 0.00 109 T 7.56 4.31 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.