NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3600 8.1733 120.0847 55.9559 35.4079 175.1935 4 I 5.0177 7.1489 118.0759 58.5765 39.3898 173.6779 5 R 5.5968 8.6103 124.9951 53.7525 33.6778 173.1910 6 I 5.5686 8.5785 120.6531 58.5008 40.1258 174.6868 7 K 4.6636 8.6284 126.9727 54.7031 33.9973 175.6479 8 L 4.7213 8.6955 127.2988 54.0836 42.4587 175.8291 9 R 5.1366 9.5424 128.0387 54.3932 32.6047 175.0186 10 G 3.6000 7.6636 109.2738 45.8394 0.0000 172.6011 11 F 5.1275 8.3154 117.8515 58.4977 41.8028 174.8404 12 D 4.7314 8.0811 119.6393 53.6780 42.2830 176.7040 13 H 4.2294 8.8762 123.4970 58.3853 28.4409 177.5303 14 K 3.7819 8.0648 122.4092 59.5054 31.7668 178.5613 15 T 4.0549 7.8804 108.5439 63.3415 68.5452 175.0546 16 L 4.9835 7.2278 122.5172 54.7608 42.9833 176.6173 17 D 4.5720 8.2566 116.0416 55.6653 41.4304 176.3649 18 A 4.5670 7.6465 119.9079 54.2296 20.2728 178.3938 19 S 3.6304 7.6022 112.8000 61.1260 62.5611 176.5457 20 A 4.1211 7.3513 122.1186 54.6044 19.0742 178.6143 21 Q 4.0271 8.0847 116.2356 59.3971 28.7503 178.3031 22 K 4.0572 8.8268 121.3980 59.2599 32.9387 179.3508 23 I 4.0791 7.2327 119.5807 60.3918 34.3028 175.9783 24 V 4.5267 7.1913 120.3739 64.6682 37.3474 176.1971 25 E 4.1862 8.1327 117.9850 59.3875 29.3258 178.5332 26 A 4.3431 7.9584 117.5194 52.6668 18.9850 177.7045 27 A 4.4809 7.4979 117.6439 54.3598 20.2980 179.2950 28 R 3.9049 9.3805 116.0179 59.3151 30.0941 179.1882 29 R 3.9786 7.6154 118.9069 58.6771 30.2240 177.3672 30 S 4.9419 8.8344 112.2938 55.2060 64.6013 174.0761 31 G 4.0642 7.4501 109.6151 44.8757 0.0000 172.3907 32 A 3.9319 8.7589 120.6657 53.0605 18.4942 177.3439 33 Q 3.8724 8.3612 121.4517 53.2906 31.3800 176.3899 34 V 4.9096 8.1330 119.9641 61.2595 35.8905 174.4946 35 S 4.5594 9.2485 118.3594 56.1545 63.6232 174.5276 36 G 3.9117 8.6199 114.3577 44.3428 0.0000 170.3494 37 P 4.2898 0.0000 0.0000 62.6201 29.7927 175.7555 38 I 4.5425 8.8442 118.6428 58.2631 39.9110 172.8844 39 P 5.1292 0.0000 0.0000 61.0892 32.1571 175.7772 40 L 4.4664 8.5939 126.0260 53.7908 41.7818 174.9697 41 P 4.1872 0.0000 0.0000 64.0016 31.2473 176.0906 42 T 4.3412 8.2318 117.3806 63.3813 69.8235 174.2859 43 R 4.6619 8.2248 123.2851 55.3380 32.9981 175.5771 44 V 4.6158 7.6357 116.0516 62.0084 33.9323 173.2947 45 R 4.3072 8.3579 122.6882 54.0231 31.8877 176.0762 46 R 4.8993 8.1498 127.8927 55.0116 30.1178 177.1754 47 F 4.5419 7.1682 114.3339 57.4077 39.5486 174.9158 48 T 5.1027 8.4813 117.4424 62.2126 72.0949 172.9897 49 V 4.5171 7.8726 120.6870 61.5292 35.5603 173.1067 50 I 3.7123 8.5669 119.8406 61.6290 37.1580 176.0617 51 R 3.4162 8.2357 124.9843 59.4540 30.6885 177.2619 52 G 3.9722 7.8233 109.8838 45.4299 0.0000 171.5869 53 P 4.3254 0.0000 0.0000 65.6006 31.0535 177.1573 54 F 4.7242 7.5397 121.0101 58.1979 39.9569 174.8706 55 K 4.1804 7.2038 122.0631 55.6385 35.7326 177.1291 56 H 4.6779 8.7103 121.4028 57.7805 30.5185 177.0410 57 K 4.3124 7.4095 119.9112 58.9238 32.6792 176.6803 58 D 4.5204 8.0968 119.2971 52.7389 41.8930 176.5753 59 S 3.5322 8.1173 107.0260 59.7686 61.4922 170.4951 60 R 5.0392 7.4478 130.5565 56.1405 33.8033 174.9917 61 E 4.4973 8.6339 121.1792 56.7173 33.6325 175.1633 62 H 4.9147 8.9325 122.7898 53.8754 30.9159 173.6910 63 F 5.3168 8.6537 118.8347 55.8179 42.8388 174.1850 64 E 5.1533 8.4120 117.3512 54.0264 32.2624 174.8797 65 L 4.1331 8.2585 126.8643 54.0834 42.7440 175.6807 66 R 4.3788 8.5040 126.3398 56.0663 29.9981 176.4583 67 T 4.6062 8.2949 120.8934 62.4574 68.1440 174.3290 68 H 4.6566 8.5430 123.4736 55.8378 30.8484 174.5989 69 N 4.8039 8.6077 117.3635 51.9234 41.5324 172.4204 70 R 4.9165 8.7736 124.5236 54.4117 32.3776 174.5873 71 L 5.1714 9.6351 127.6855 53.6483 46.1693 175.1180 72 V 4.8326 7.8983 121.0043 62.8801 35.6673 172.0574 73 D 5.2714 9.6912 127.3692 52.5997 44.2435 174.8022 74 I 4.5803 8.2292 115.7344 60.1986 39.3148 176.9090 75 I 3.8995 8.8714 118.6272 63.6246 38.0575 176.1051 76 N 4.8891 7.8423 119.3679 50.3097 41.7438 172.2584 77 P 4.3705 0.0000 0.0000 63.1852 29.9338 174.2942 78 N 4.6305 8.3588 123.1716 52.7079 39.1547 176.6968 79 R 4.1962 8.6984 119.7247 57.3736 29.7784 176.6900 80 K 4.5873 8.0917 118.8867 56.0528 32.4075 176.7423 81 T 4.7106 7.5284 105.8902 61.7385 72.5101 175.3849 82 I 3.8638 7.9068 121.6457 63.0725 37.4413 175.9093 83 E 4.3482 8.0336 119.7555 57.7736 30.0350 176.3043 84 Q 3.7728 7.5974 115.3909 60.1490 29.2876 179.2574 85 L 3.8118 7.8944 118.4896 58.8996 42.5643 179.8876 86 M 3.7863 7.7826 116.6725 58.6660 32.7267 176.6528 87 T 4.7247 7.3126 108.5404 61.0850 68.7680 173.6377 88 L 4.5946 8.1114 118.6983 55.5336 42.8438 174.8361 89 D 4.3315 8.0038 116.4865 54.8676 41.1032 177.9796 90 L 4.6992 8.0672 126.3430 53.7732 44.2702 171.9625 91 P 4.9575 0.0000 0.0000 62.4903 30.7020 175.8767 92 T 4.7465 8.3901 106.7829 62.7436 73.8379 173.9853 93 G 4.1613 7.4755 105.9483 44.8565 0.0000 173.2438 94 V 4.1134 7.9493 119.3313 61.5515 33.6014 174.3412 95 E 4.8317 8.4450 123.6786 54.2205 32.6175 174.1995 96 I 5.8199 8.2878 118.8168 58.2363 40.9983 174.0201 97 E 4.9027 8.7056 122.2508 54.7706 33.7657 174.5134 98 I 5.6975 8.0242 119.7372 59.1363 41.8467 174.8255 99 K 4.7172 8.3734 122.1074 54.8270 36.7985 175.6121 100 T 5.6060 7.7984 108.2054 60.5150 68.4007 174.8170 *101 V 3.9054 7.5579 121.9119 61.7139 32.3498 177.1686 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 3 K 8.17 4.36 0.00 1.73 1.93 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 4 I 7.15 5.02 1.87 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 1.09 2.08 0.91 0.00 0.00 5 R 8.61 5.60 0.00 1.82 1.73 0.00 3.16 0.00 0.00 3.34 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.90 0.00 6 I 8.58 5.57 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 1.24 1.44 0.92 0.00 0.00 7 K 8.63 4.66 0.00 1.70 1.77 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.43 7.81 8 L 8.70 4.72 0.00 1.64 1.60 0.97 0.66 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 9 R 9.54 5.14 0.00 1.53 1.86 0.00 3.21 0.00 0.00 3.05 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.36 0.00 10 G 7.66 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 5.13 0.00 3.07 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 12 D 8.08 4.73 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.88 4.23 0.00 3.27 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.06 3.78 0.00 1.56 2.04 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.39 7.81 15 T 7.88 4.05 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 1.28 0.00 0.00 16 L 7.23 4.98 0.00 1.94 1.64 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.26 4.57 0.00 2.81 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 18 A 7.65 4.57 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 19 S 7.60 3.63 0.00 4.23 4.14 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 20 A 7.35 4.12 1.38 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 0.00 0.00 21 Q 8.08 4.03 0.00 2.14 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 22 K 8.83 4.06 0.00 1.92 1.77 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.62 7.81 23 I 7.23 4.08 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 1.40 0.81 0.91 0.00 0.00 24 V 7.19 4.53 2.34 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 0.98 0.00 0.00 0.98 0.00 0.00 25 E 8.13 4.19 0.00 2.11 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 2.33 2.25 0.00 26 A 7.96 4.34 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 27 A 7.50 4.48 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 28 R 9.38 3.90 0.00 1.98 1.96 0.00 3.16 0.00 0.00 3.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 29 R 7.62 3.98 0.00 1.78 2.12 0.00 3.22 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 30 S 8.83 4.94 0.00 4.35 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 31 G 7.45 4.06 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 0.00 0.00 0.00 32 A 8.76 3.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 3.87 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 34 V 8.13 4.91 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 0.88 0.00 0.00 0.93 0.00 0.00 35 S 9.25 4.56 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 36 G 8.62 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 0.00 0.00 0.00 37 P 0.00 4.29 0.00 2.05 2.06 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 38 I 8.84 4.54 1.87 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 1.37 0.99 0.95 0.00 0.00 39 P 0.00 5.13 0.00 2.11 2.12 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 40 L 8.59 4.47 0.00 1.66 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.19 0.00 2.19 2.13 0.00 3.75 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 1.99 2.02 0.00 42 T 8.23 4.34 4.19 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 1.09 0.00 0.00 43 R 8.22 4.66 0.00 1.75 1.85 0.00 3.31 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 44 V 7.64 4.62 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 0.85 0.00 0.00 0.86 0.00 0.00 45 R 8.36 4.31 0.00 1.41 1.24 0.00 3.48 0.00 0.00 3.37 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 46 R 8.15 4.90 0.00 1.63 1.85 0.00 3.21 0.00 0.00 2.25 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 0.00 47 F 7.17 4.54 0.00 3.09 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.48 5.10 4.19 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 1.03 0.00 0.00 49 V 7.87 4.52 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 50 I 8.57 3.71 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 1.34 0.96 0.88 0.00 0.00 51 R 8.24 3.42 0.00 2.16 1.91 0.00 3.28 0.00 0.00 3.21 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 52 G 7.82 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.33 0.00 2.27 2.24 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 54 F 7.54 4.72 0.00 2.91 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 55 K 7.20 4.18 0.00 1.19 1.29 0.00 1.44 0.00 0.00 1.39 0.00 0.00 2.80 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.60 0.21 7.81 56 H 8.71 4.68 0.00 3.11 3.17 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.41 4.31 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.42 7.81 58 D 8.10 4.52 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 3.53 0.00 4.04 4.06 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 60 R 7.45 5.04 0.00 1.54 2.02 0.00 3.16 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 61 E 8.63 4.50 0.00 1.87 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 1.74 2.08 0.00 62 H 8.93 4.91 0.00 3.04 3.34 0.00 5.55 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.65 5.32 0.00 3.20 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 64 E 8.41 5.15 0.00 1.77 1.76 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 2.14 2.09 0.00 65 L 8.26 4.13 0.00 1.70 1.57 0.44 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.50 4.38 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 67 T 8.29 4.61 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 68 H 8.54 4.66 0.00 3.15 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.61 4.80 0.00 2.57 2.68 0.00 0.00 6.42 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 70 R 8.77 4.92 0.00 1.91 1.93 0.00 3.14 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 71 L 9.64 5.17 0.00 1.77 1.54 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.90 4.83 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 0.96 0.00 0.00 0.95 0.00 0.00 73 D 9.69 5.27 0.00 2.53 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 74 I 8.23 4.58 1.87 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 1.44 0.85 0.91 0.00 0.00 75 I 8.87 3.90 1.87 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 1.43 0.59 0.93 0.00 0.00 76 N 7.84 4.89 0.00 2.61 2.66 0.00 0.00 6.98 7.69 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 77 P 0.00 4.37 0.00 2.21 2.09 0.00 3.81 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 1.98 1.99 0.00 78 N 8.36 4.63 0.00 2.77 2.78 0.00 0.00 7.03 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 79 R 8.70 4.20 0.00 1.80 1.96 0.00 3.34 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 80 K 8.09 4.59 0.00 1.66 1.88 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.48 7.81 81 T 7.53 4.71 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 82 I 7.91 3.86 1.87 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 1.48 0.80 0.91 0.00 0.00 83 E 8.03 4.35 0.00 1.90 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 2.20 2.30 0.00 84 Q 7.60 3.77 0.00 2.28 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.70 0.00 0.00 0.00 0.00 0.00 2.62 2.47 0.00 85 L 7.89 3.81 0.00 1.72 1.70 0.92 0.86 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 86 M 7.78 3.79 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 87 T 7.31 4.72 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 88 L 8.11 4.59 0.00 1.85 1.62 0.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.00 4.33 0.00 2.70 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 90 L 8.07 4.70 0.00 1.70 1.53 0.92 0.99 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 91 P 0.00 4.96 0.00 2.20 1.08 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.92 0.00 92 T 8.39 4.75 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 1.23 0.00 0.00 93 G 7.48 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 4.11 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 0.87 0.00 0.00 0.92 0.00 0.00 95 E 8.44 4.83 0.00 1.99 1.64 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 2.20 2.29 0.00 96 I 8.29 5.82 1.86 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 1.34 1.51 0.94 0.00 0.00 97 E 8.71 4.90 0.00 1.85 1.84 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 2.26 2.22 0.00 98 I 8.02 5.70 1.87 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 1.35 0.87 0.91 0.00 0.00 99 K 8.37 4.72 0.00 1.60 1.67 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.35 7.81 100 T 7.80 5.61 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 *101 V 7.56 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.