NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A G 3.8246 8.3393 109.7314 44.7729 0.0000 173.4093 1B S 4.2374 7.5602 115.1460 55.5207 63.7342 172.9228 1C G 3.6259 8.3557 113.3963 45.8994 0.0000 173.0923 2 Q 2.5200 7.2852 118.7055 55.8710 28.1547 175.9987 3 F 5.0113 6.7208 117.2781 54.6971 40.8600 174.4984 4 R 4.7323 8.4402 121.4213 55.0143 32.0158 174.9377 5 V 4.6808 8.4408 125.2963 61.7250 33.1319 174.8586 6 I 4.5919 8.9634 128.3840 59.6333 40.5618 174.9409 7 G 4.4556 8.2008 112.2139 44.1809 0.0000 170.5637 8 P 4.1736 0.0000 0.0000 65.8711 31.3138 177.9004 9 G 4.0933 9.5791 105.2542 45.4564 0.0000 172.6489 10 H 4.8631 7.1853 112.5268 53.3118 31.0866 171.5533 11 P 4.6145 0.0000 0.0000 63.3800 32.1561 175.4671 12 I 4.4975 8.3451 122.8077 59.9375 39.2613 175.1216 13 R 5.1019 8.4161 124.8173 55.1048 32.3353 175.5137 14 A 4.5660 8.0442 120.6658 50.9876 23.1398 175.7817 15 L 4.6626 8.3963 121.0057 53.8409 43.3302 176.7513 16 V 3.5247 8.0483 122.2885 63.5280 32.2887 175.4055 17 G 4.0637 8.3806 110.8747 46.3612 0.0000 172.7626 18 D 5.0792 7.4822 120.5472 52.5438 44.2830 174.6199 19 E 5.4087 9.5605 118.9608 54.5276 31.6023 176.3191 20 A 4.7492 8.1503 123.8419 50.2534 23.1120 174.8071 21 E 4.8171 8.6047 119.2756 54.5313 33.1430 175.0300 22 L 4.5870 8.5599 125.3601 52.4856 43.8645 173.9649 23 P 5.3160 0.0000 0.0000 61.7930 33.2869 175.9693 24 C 5.3610 9.3237 122.5926 55.5974 44.7583 172.8145 25 R 5.6203 9.1129 120.9116 55.5385 33.3581 173.3983 26 I 4.6308 7.6139 112.8882 59.0843 40.6524 174.6272 27 S 4.9391 8.6811 118.3356 55.9209 65.9237 171.8904 28 P 4.4732 0.0000 0.0000 62.5724 31.7786 176.3088 29 G 4.0535 8.5991 108.8551 45.7433 0.0000 172.5494 30 K 4.4814 8.0058 119.6066 55.3963 35.6421 174.9887 31 N 4.4925 8.8122 119.6013 53.8092 38.4076 174.2338 32 A 4.8188 8.1658 132.0670 52.6593 19.6477 179.3591 33 T 4.3233 8.3144 119.0223 67.9150 69.0319 177.0706 34 G 3.6925 8.0499 108.5347 48.0308 0.0000 173.3778 35 M 4.3035 8.0179 118.5497 55.8139 33.2008 175.1118 36 E 4.6530 8.6264 120.7537 54.6782 31.7919 174.8063 37 V 4.0772 8.1300 126.0916 61.0971 35.4078 174.2094 38 G 4.0455 6.6602 111.3086 45.4593 0.0000 171.9481 39 W 5.5811 8.6783 119.0835 54.8901 33.2232 174.4765 40 Y 5.2927 9.3938 120.5994 56.3055 41.2107 175.3256 41 R 3.9000 9.8653 124.5440 56.3254 29.7136 178.2921 42 S 3.7431 8.6754 120.6813 60.1438 63.2764 173.5584 43 P 3.8704 0.0000 0.0000 65.2973 31.4905 176.2126 44 F 4.6289 8.1561 117.6879 57.7215 40.0411 176.1094 45 S 3.7738 7.4670 112.3559 59.5894 61.0941 173.2122 46 R 4.3694 7.8627 117.2696 56.1652 31.8843 177.0717 47 V 4.1999 8.5137 122.6606 62.7949 31.9281 176.5453 48 V 3.2674 8.7675 129.7234 65.6127 32.3788 175.9381 49 H 4.6436 7.6555 116.9587 55.0230 33.3545 172.2977 50 L 5.0955 8.0950 126.4077 53.4724 45.0401 173.8662 51 Y 5.3761 8.8050 127.9256 55.8639 41.3193 174.2824 52 R 4.1211 8.8730 126.2934 55.6249 34.1750 174.5352 53 N 4.0179 9.6128 121.2409 54.2336 36.0992 175.2447 54 G 4.1197 8.1164 108.3744 44.5655 0.0000 174.1082 55 K 4.8296 7.5293 117.5552 54.5908 35.4079 175.0141 56 D 4.8993 8.6320 120.1834 54.3592 41.1498 176.9825 57 Q 4.3295 9.2366 125.7790 54.9109 27.6639 175.3542 58 D 4.4164 8.4436 123.9004 56.8940 41.3235 178.3150 59 A 4.4295 7.9803 118.5741 52.9804 18.3125 177.0314 60 E 4.7690 7.9117 115.8978 56.0138 30.6186 175.7015 61 Q 4.7288 7.8334 115.6032 53.5621 31.7633 174.4927 62 A 4.3687 8.8655 122.9085 51.7949 19.0639 177.0865 63 P 4.3801 0.0000 0.0000 65.8654 31.5523 178.4930 64 E 3.9350 8.1900 115.7972 58.5207 29.6324 176.9146 65 Y 4.6270 8.2456 115.9068 57.1789 39.1428 175.7733 66 R 4.8799 7.0997 117.0812 57.1088 29.4980 176.5970 67 G 3.9968 8.9880 109.7033 46.6368 0.0000 173.8643 68 R 4.7345 8.1631 117.4207 55.4409 32.8358 174.8999 69 T 5.7152 7.2955 108.1479 60.3214 72.0013 172.8170 70 E 4.7873 7.1174 117.6518 56.2111 34.7197 176.0753 71 L 4.7576 8.2693 124.3195 52.8172 44.3162 175.7963 72 L 3.8878 8.8888 128.2208 54.9006 42.5204 178.1360 73 K 4.5380 8.2625 123.6773 55.9806 32.8001 177.4882 74 E 4.0427 8.4858 121.0747 59.0689 29.9599 178.9292 75 S 4.8288 7.5973 112.3157 57.5808 63.4908 175.6357 76 I 4.4574 7.1343 121.9621 64.5091 38.3284 176.9920 77 G 4.3329 8.1029 106.2956 46.1348 0.0000 173.0590 78 E 4.3338 8.0755 119.8479 55.4630 30.8279 176.7449 79 G 3.8136 8.9689 106.8976 46.0535 0.0000 172.4284 80 K 5.1010 8.0529 118.7757 54.5908 35.0352 175.8468 81 V 5.2228 8.8501 115.4567 61.2139 37.1874 172.7227 82 A 5.1695 8.2463 122.0457 50.7667 22.8807 174.9775 83 L 4.3211 8.8276 124.9450 53.9620 43.2739 175.2201 84 R 5.0066 8.5028 127.4136 54.6394 32.7621 174.7497 85 I 5.1830 8.4509 125.8187 59.7535 40.9205 174.9472 86 Q 4.6639 8.8403 125.5922 53.9684 30.5771 175.1542 87 N 4.0348 8.5089 116.1720 53.1275 36.4535 174.5004 88 V 3.9251 7.4967 118.1979 64.4533 32.8778 174.5753 89 R 4.9791 9.0858 119.6606 54.3259 32.5844 175.7066 90 F 4.2433 9.1635 121.3054 61.6403 39.2946 177.1056 91 S 4.2963 8.3468 112.0276 60.1048 62.5400 174.0752 92 D 5.0332 8.5092 120.2628 54.2551 41.4733 176.1415 93 E 4.2740 9.9208 121.8035 55.8341 30.3842 175.9760 94 G 3.9666 8.4669 112.2645 43.7930 0.0000 172.7329 95 G 4.3952 8.5583 106.5595 46.3043 0.0000 172.6051 96 Y 5.2261 10.0264 119.5959 56.3788 43.3199 174.6285 97 T 5.1848 9.4796 116.8614 62.3730 72.5440 171.1461 98 C 4.5421 8.6613 121.6340 53.6769 43.4176 172.7117 99 F 5.6007 7.7130 113.6255 56.0572 41.4129 172.8091 100 F 5.1715 9.4935 118.2909 55.7594 42.8037 174.1273 101 R 4.8587 9.7562 123.8671 55.1011 32.2370 174.0675 102 D 4.6330 9.5923 128.9181 54.5472 40.7604 175.1880 103 H 4.2140 9.2586 120.5816 54.9778 27.8405 175.0317 104 S 4.6540 8.3795 117.0077 58.2516 64.2793 173.1012 105 Y 4.5657 8.0059 121.3118 56.8876 40.1150 174.3609 106 Q 4.9625 6.9224 122.5604 56.3195 31.9457 172.8079 107 E 4.7705 8.5376 124.1056 54.7293 33.5834 174.3930 108 E 5.4668 8.9242 119.3371 55.1691 34.4002 174.7699 109 A 4.8317 8.9252 121.0269 50.4008 22.9324 175.0678 110 A 4.9244 8.6383 122.3106 50.9306 20.4728 176.9383 111 V 4.6617 9.0005 120.5965 61.1597 35.7592 173.8843 112 E 5.1514 8.8071 125.2313 54.3433 33.6732 173.6500 113 L 5.1375 9.4595 126.9660 53.1924 44.9129 174.9751 114 K 4.6790 9.5343 126.3296 54.7727 34.3223 175.3826 115 V 4.4160 8.3046 125.8872 61.4977 32.5716 174.5968 116 E 4.5044 8.6542 128.1088 54.8473 32.1404 174.8914 117 D 4.6465 8.3073 122.6176 52.7681 41.4409 174.0547 118 P 4.1584 0.0000 0.0000 66.9627 31.8902 176.9110 *119 F 4.2550 7.7972 120.1514 56.9910 37.9672 177.3828 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 1A G 8.34 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 1B S 7.56 4.24 0.00 3.90 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 1C G 8.36 3.63 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 0.00 0.00 0.00 2 Q 7.29 2.52 0.00 1.91 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 3 F 6.72 5.01 0.00 3.31 3.08 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 0.00 0.00 0.00 4 R 8.44 4.73 0.00 2.02 1.89 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 5 V 8.44 4.68 2.33 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 0.89 0.00 0.00 1.11 0.00 0.00 6 I 8.96 4.59 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 1.17 0.60 0.92 0.00 0.00 7 G 8.20 4.46 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 0.00 0.00 0.00 8 P 0.00 4.17 0.00 2.06 2.01 0.00 3.71 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 9 G 9.58 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 10 H 7.19 4.86 0.00 3.21 3.27 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.61 0.00 1.99 2.08 0.00 3.71 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 2.07 2.18 0.00 12 I 8.35 4.50 1.83 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 1.23 0.97 0.85 0.00 0.00 13 R 8.42 5.10 0.00 1.67 1.82 0.00 3.39 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 14 A 8.04 4.57 1.16 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 15 L 8.40 4.66 0.00 1.57 1.57 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.05 3.52 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 0.73 0.00 0.00 0.97 0.00 0.00 17 G 8.38 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 18 D 7.48 5.08 0.00 2.98 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 9.56 5.41 0.00 1.86 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 2.20 2.22 0.00 20 A 8.15 4.75 1.06 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 21 E 8.60 4.82 0.00 1.73 1.75 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 2.09 2.21 0.00 22 L 8.56 4.59 0.00 0.65 1.43 0.19 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 5.32 0.00 1.98 2.00 0.00 3.73 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 1.99 2.07 0.00 24 C 9.32 5.36 0.00 3.26 3.12 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 0.00 0.00 0.00 0.00 25 R 9.11 5.62 0.00 1.89 1.93 0.00 3.22 0.00 0.00 3.31 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.49 0.00 26 I 7.61 4.63 0.58 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.37 -0.70 0.00 0.00 27 S 8.68 4.94 0.00 3.85 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 28 P 0.00 4.47 0.00 2.07 2.03 0.00 3.74 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 2.04 2.10 0.00 29 G 8.60 4.05 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 0.00 0.00 0.00 30 K 8.01 4.48 0.00 1.72 1.73 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.21 1.41 7.81 31 N 8.81 4.49 0.00 2.89 2.82 0.00 0.00 6.74 8.26 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 32 A 8.17 4.82 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 T 8.31 4.32 4.31 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 1.31 0.00 0.00 34 G 8.05 3.69 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 0.00 0.00 0.00 35 M 8.02 4.30 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 36 E 8.63 4.65 0.00 2.00 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 2.26 2.22 0.00 37 V 8.13 4.08 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 -0.38 0.00 0.00 0.74 0.00 0.00 38 G 6.66 4.05 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 0.00 0.00 0.00 39 W 8.68 5.58 0.00 3.22 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 40 Y 9.39 5.29 0.00 2.99 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 41 R 9.87 3.90 0.00 1.83 1.95 0.00 3.32 0.00 0.00 2.59 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.87 0.00 42 S 8.68 3.74 0.00 3.95 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 43 P 0.00 3.87 0.00 2.24 1.89 0.00 3.93 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 2.12 2.15 0.00 44 F 8.16 4.63 0.00 3.05 3.12 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 0.00 0.00 0.00 0.00 45 S 7.47 3.77 0.00 3.94 3.64 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 46 R 7.86 4.37 0.00 1.98 2.03 0.00 3.19 0.00 0.00 3.48 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 47 V 8.51 4.20 2.16 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 1.03 0.00 0.00 1.04 0.00 0.00 48 V 8.77 3.27 2.16 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 0.21 0.00 0.00 0.50 0.00 0.00 49 H 7.66 4.64 0.00 3.18 3.11 0.00 5.86 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 50 L 8.09 5.10 0.00 1.62 1.40 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.80 5.38 0.00 3.01 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 52 R 8.87 4.12 0.00 1.74 1.58 0.00 3.28 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 53 N 9.61 4.02 0.00 2.83 2.83 0.00 0.00 7.28 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 54 G 8.12 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.53 4.83 0.00 1.99 1.92 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.36 7.81 56 D 8.63 4.90 0.00 2.73 2.78 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 0.00 57 Q 9.24 4.33 0.00 1.91 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.01 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 58 D 8.44 4.42 0.00 2.79 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 59 A 7.98 4.43 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 60 E 7.91 4.77 0.00 2.01 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 2.24 2.20 0.00 61 Q 7.83 4.73 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.09 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 62 A 8.87 4.37 1.60 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 63 P 0.00 4.38 0.00 2.18 2.15 0.00 3.64 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 2.13 2.16 0.00 64 E 8.19 3.94 0.00 1.46 1.75 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 2.21 2.33 0.00 65 Y 8.25 4.63 0.00 3.15 2.97 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 66 R 7.10 4.88 0.00 1.89 2.02 0.00 3.20 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 67 G 8.99 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 68 R 8.16 4.73 0.00 2.07 2.03 0.00 3.04 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 69 T 7.30 5.72 4.11 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 1.30 0.00 0.00 70 E 7.12 4.79 0.00 1.78 1.72 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 2.03 2.02 0.00 71 L 8.27 4.76 0.00 1.29 1.36 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.89 3.89 0.00 1.67 1.56 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.26 4.54 0.00 1.59 1.61 0.00 1.53 0.00 0.00 0.88 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.98 1.37 7.81 74 E 8.49 4.04 0.00 1.90 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 2.28 2.30 0.00 75 S 7.60 4.83 0.00 4.00 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 76 I 7.13 4.46 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.08 0.97 0.00 0.00 77 G 8.10 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 78 E 8.08 4.33 0.00 2.02 2.16 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 2.26 2.30 0.00 79 G 8.97 3.81 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 0.00 0.00 0.00 80 K 8.05 5.10 0.00 1.91 1.71 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.35 7.81 81 V 8.85 5.22 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 0.98 0.00 0.00 1.17 0.00 0.00 82 A 8.25 5.17 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 4.32 0.00 0.27 0.13 0.38 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 84 R 8.50 5.01 0.00 1.78 1.60 0.00 3.02 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 85 I 8.45 5.18 1.79 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 1.04 0.00 0.00 86 Q 8.84 4.66 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 87 N 8.51 4.03 0.00 2.90 2.90 0.00 0.00 5.97 7.68 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 88 V 7.50 3.93 2.21 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 1.03 0.00 0.00 0.96 0.00 0.00 89 R 9.09 4.98 0.00 2.05 2.00 0.00 2.86 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.60 0.00 90 F 9.16 4.24 0.00 3.14 2.97 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 91 S 8.35 4.30 0.00 4.03 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 92 D 8.51 5.03 0.00 2.90 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 93 E 9.92 4.27 0.00 1.90 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.43 0.00 94 G 8.47 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 95 G 8.56 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 10.03 5.23 0.00 3.05 3.28 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 97 T 9.48 5.18 4.53 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 1.37 0.00 0.00 98 C 8.66 4.54 0.00 1.23 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 0.00 0.00 0.00 99 F 7.71 5.60 0.00 3.33 3.17 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 0.00 100 F 9.49 5.17 0.00 3.25 3.16 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 0.00 101 R 9.76 4.86 0.00 2.20 1.98 0.00 3.31 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 102 D 9.59 4.63 0.00 3.36 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 0.00 103 H 9.26 4.21 0.00 3.42 3.29 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 0.00 104 S 8.38 4.65 0.00 3.84 3.88 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 0.00 105 Y 8.01 4.57 0.00 2.97 2.95 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 0.00 106 Q 6.92 4.96 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.21 2.63 0.00 107 E 8.54 4.77 0.00 1.90 1.89 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 1.88 2.38 0.00 108 E 8.92 5.47 0.00 1.84 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 2.29 2.24 0.00 109 A 8.93 4.83 1.23 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 0.00 0.00 110 A 8.64 4.92 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 0.00 111 V 9.00 4.66 2.50 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 1.08 0.00 0.00 1.17 0.00 0.00 112 E 8.81 5.15 0.00 2.13 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 113 L 9.46 5.14 0.00 1.56 1.71 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 114 K 9.53 4.68 0.00 1.78 1.66 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.50 7.81 115 V 8.30 4.42 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 0.73 0.00 0.00 0.97 0.00 0.00 116 E 8.65 4.50 0.00 1.88 1.78 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 2.19 2.33 0.00 117 D 8.31 4.65 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 P 0.00 4.16 0.00 2.07 2.06 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 *119 F 7.80 4.26 0.00 2.30 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.