NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0049 8.0393 114.0466 61.1263 33.4707 175.2846 3 T 3.8589 7.6567 110.8236 60.0795 69.2413 168.0921 4 V 3.8083 8.3110 121.6983 65.0939 32.4635 177.6092 5 G 3.9627 9.3108 115.8360 45.0616 0.0000 173.4417 6 K 4.4284 7.8632 119.4292 55.3071 34.0780 176.4448 7 S 4.7018 8.4596 117.8466 58.4770 63.4493 174.2986 8 A 4.0451 8.8990 127.6220 51.0129 18.5819 175.9341 9 P 4.2924 0.0000 0.0000 62.3577 32.1221 175.8006 10 Y 4.1562 8.6013 122.4870 58.2991 38.8897 175.3960 11 F 4.8569 6.7622 119.2338 55.4031 42.0994 173.6594 12 S 4.7012 8.5106 114.5497 57.1947 64.5180 172.8438 13 L 4.9911 9.1076 127.5821 52.0471 45.8056 174.5267 14 P 4.9261 0.0000 0.0000 62.7967 33.1365 176.4255 15 N 6.1865 8.7730 119.9141 51.5680 39.6306 175.2319 16 E 4.3448 8.9688 116.2777 59.2320 29.6241 177.8362 17 K 4.3999 8.5132 116.1024 55.9430 32.3622 177.2001 18 G 4.0115 8.3869 108.0600 44.9232 0.0000 173.4715 19 E 4.2543 8.3178 122.4335 55.4689 30.8024 175.9333 20 K 4.5043 8.8143 127.0565 56.6036 32.8197 176.2421 21 L 5.0766 9.1828 125.6163 53.0201 45.1873 175.7115 22 S 4.7923 8.3498 115.4316 55.1163 66.6539 174.7650 23 R 3.8913 7.6480 119.8605 59.3335 29.7834 177.2398 24 S 4.3760 7.7899 109.2564 58.6421 63.2356 174.2251 25 A 4.2185 8.0425 125.1626 51.8022 18.8238 178.4127 26 E 3.9345 8.7471 121.3198 59.2493 29.7267 178.8749 27 R 3.9342 7.6813 113.5498 57.8723 30.0582 176.9481 28 F 5.0670 8.0587 117.0842 57.9919 41.0661 176.1022 29 R 3.9801 7.9737 118.9887 57.7179 30.1875 175.8561 30 N 4.3099 8.9321 117.7308 54.2843 36.0096 173.9967 31 R 4.9144 7.3243 114.5039 54.1699 34.6630 174.6856 32 Y 4.2756 9.0660 120.5759 58.2069 39.2778 174.8523 33 L 4.8925 8.8917 126.1797 53.0887 44.7602 174.9638 34 L 4.7938 8.5976 130.4461 54.2162 42.7016 175.7711 35 L 4.5923 8.9958 128.2742 53.5548 43.4092 175.4361 36 N 5.5144 9.0036 121.8886 51.1732 39.8829 173.4876 37 F 5.1610 9.8214 123.4596 55.5518 41.0927 175.1037 38 W 5.2455 8.3625 118.4834 56.1834 31.7328 172.5399 39 A 3.8492 8.0224 119.4826 50.1256 21.3003 177.8835 40 S 4.4182 9.1766 116.3477 60.9785 63.2371 176.1681 41 W 4.5379 7.5539 115.5931 57.5968 28.2448 175.8485 42 C 4.5784 7.7471 118.9199 59.3555 31.2434 172.9898 43 D 4.8234 7.8637 118.5199 53.1936 41.5756 174.4924 44 P 4.6283 0.0000 0.0000 63.0112 32.8473 176.4473 45 Q 4.6655 8.1337 116.4491 53.0367 29.4370 174.1920 46 P 4.2708 0.0000 0.0000 65.6668 31.7515 178.6496 47 E 3.8934 8.1053 116.6620 59.2182 29.8090 178.7057 48 A 3.9792 7.8868 122.3338 54.7912 18.4247 179.4436 49 N 4.3445 8.5537 115.0370 56.3004 38.5660 177.4059 50 A 3.9708 8.1915 122.3949 55.1774 18.4566 179.0643 51 E 3.8284 8.1285 117.5765 59.6394 29.7207 179.0486 52 L 3.7471 7.8373 118.7128 57.7295 41.7313 179.7862 53 K 4.1165 8.7632 118.7288 59.3335 31.9433 179.5313 54 R 3.8659 8.2873 118.6952 59.3034 30.0504 178.9051 55 L 4.0112 7.8080 118.5106 57.9600 41.4506 178.9278 56 N 4.2852 8.1655 115.8901 56.7737 38.9251 176.4892 57 K 4.0829 7.9709 120.3612 59.5559 32.1963 178.2145 58 E 3.7494 8.2227 118.5715 58.6495 29.6852 177.0878 59 Y 4.7248 7.6351 114.4852 57.5059 38.6745 177.4307 60 K 4.0357 7.9093 124.1517 59.6477 32.2518 178.4930 61 K 4.0557 7.9795 116.1985 58.4635 32.5539 176.5152 62 N 4.6545 8.0559 117.8328 52.4907 37.6408 175.4844 63 K 4.2375 8.6287 125.3180 58.4226 32.3787 177.5804 64 N 4.8918 8.9368 116.5067 53.4233 39.7073 174.2730 65 F 5.4990 8.3188 121.3011 56.6271 42.2153 174.1698 66 A 4.2215 8.2781 126.6764 50.5119 22.8640 173.4838 *68 L 4.5166 8.5068 115.8899 55.2429 43.6414 177.3479 69 G 4.6108 9.4029 114.6517 45.8085 0.0000 172.2121 70 I 4.7287 8.9291 126.2906 59.5134 39.6154 174.6418 71 S 4.0963 8.2857 122.4662 56.3382 63.8556 173.5086 72 L 4.5625 7.9461 124.9993 54.5500 42.8304 176.3661 73 D 4.9223 7.7765 119.9392 55.1044 41.1959 177.3662 74 I 4.5431 8.4819 113.3366 60.5956 39.1886 175.3227 75 D 4.6287 7.9259 120.8261 51.7941 43.6810 175.0927 76 R 4.0173 8.0608 127.1539 59.7808 29.9026 177.7623 77 E 3.9219 8.2868 117.8791 59.2207 29.8023 178.2547 78 A 4.0692 8.4286 120.7950 55.0141 18.3938 179.1318 79 W 4.4600 8.4614 126.6625 61.0613 30.8290 177.7416 80 E 3.6449 8.7222 118.5461 59.7702 28.8338 179.5968 81 T 3.8465 8.1823 115.3136 66.7009 68.5780 176.5193 82 A 4.0429 8.1084 122.5344 55.1329 18.3716 179.4807 83 I 3.3004 7.9561 118.6229 64.5324 37.2601 178.8227 84 K 3.8550 7.9728 118.9223 59.1626 31.7658 179.3531 85 K 3.8607 8.1137 119.4810 59.3176 32.1403 177.0604 86 D 4.5060 7.9739 115.2506 53.7025 41.5694 176.3041 87 T 3.3211 7.1211 115.0799 64.6559 66.3925 174.7402 88 L 3.2245 7.5120 121.9767 53.1352 40.3927 177.7862 89 S 4.0588 7.6159 117.8224 60.5682 63.4623 174.9287 90 W 4.5403 7.8159 116.4421 55.6248 28.9234 174.9763 91 D 4.6517 8.8130 117.8677 55.0900 41.4676 176.0054 92 Q 5.2017 8.7223 120.0083 54.4942 32.9840 174.5646 93 V 5.0451 8.8409 116.2441 60.1330 36.4044 174.1901 94 C 4.2665 8.0793 119.2031 58.4650 34.0344 173.2947 95 D 4.3173 7.9050 124.0214 52.3194 39.4607 176.2993 96 F 4.4585 6.9060 115.6864 58.7954 35.8660 175.9716 97 T 4.2278 7.4045 108.5379 61.1300 70.3949 175.8758 98 G 4.7693 7.8981 110.4573 45.0382 0.0000 173.8449 99 L 4.3237 8.5979 121.0607 56.9261 42.3617 178.4393 100 S 4.5256 8.1942 111.1451 59.4186 63.8100 174.1902 101 S 3.8280 8.2150 117.0706 58.2515 62.7962 173.7412 102 E 3.9670 9.0725 130.2435 59.8760 29.3299 178.8452 103 T 4.0110 8.0063 114.7646 66.6490 68.5645 176.0217 104 A 3.7903 8.0071 122.4998 55.0940 18.4516 179.4214 105 K 3.8133 8.0867 117.8651 60.0486 32.0674 179.0423 106 Q 4.2505 8.4520 117.0745 58.7720 28.6801 177.3626 107 Y 4.0497 8.3081 115.1379 56.8276 38.6753 174.9843 108 A 3.7672 8.2044 122.4880 53.0120 16.7945 177.9208 109 I 3.9175 7.8844 121.4088 61.5250 38.1293 176.7656 110 L 4.3979 8.4347 124.7560 56.0513 42.7306 175.9776 111 T 4.7332 7.3657 105.7812 60.2948 71.8573 172.3057 112 L 4.8753 8.0522 120.0963 52.0506 45.0994 174.9433 113 P 4.8845 0.0000 0.0000 63.2941 32.6751 175.6969 114 T 4.7563 8.8685 117.4283 62.1721 72.9600 172.5012 115 N 5.5201 8.8780 122.9100 51.9407 41.3375 173.8840 116 I 4.9986 8.8736 123.4933 59.4924 41.0066 173.9923 117 L 5.0403 9.0296 129.8458 53.6500 43.7637 175.1650 118 L 5.3556 9.0461 126.8858 53.1311 44.7886 176.6403 119 S 4.5648 8.9677 117.1120 56.4045 64.4369 173.5263 120 P 4.6740 0.0000 0.0000 64.5884 30.9547 177.5347 121 T 4.2488 7.7850 106.3017 61.0332 69.1657 174.8156 122 G 3.8296 8.5739 110.6798 46.6340 0.0000 173.1174 123 K 4.8532 7.6720 119.6758 54.0647 34.2267 175.3049 124 I 4.3981 8.5786 126.5326 61.4487 37.2011 176.4833 125 L 4.6908 9.0833 127.9942 55.8296 42.7695 177.2187 126 A 4.4398 7.3652 116.6711 51.3597 22.2098 175.5423 127 R 4.7172 8.5711 120.5458 55.4163 33.2294 175.1054 128 D 4.3449 8.6105 121.1114 55.1844 40.1442 173.1911 129 I 4.2396 7.7930 117.1888 59.5609 39.3643 174.0551 130 Q 4.5430 8.2257 123.9723 55.1342 32.7425 175.1725 131 G 3.7143 8.4855 106.2934 46.6865 0.0000 176.2392 132 E 3.9465 8.8049 119.1365 59.3173 29.4111 178.6328 133 A 4.1876 7.9764 120.3220 54.7273 18.3869 179.3788 134 L 3.8493 7.7670 118.5636 58.5168 42.2785 178.9128 135 T 3.9309 7.9100 115.8467 66.8440 68.3867 176.7733 136 G 3.5424 8.5735 107.7422 47.4350 0.0000 175.6047 137 K 3.8482 7.7018 121.1134 59.3604 32.6278 178.6021 138 L 3.7579 7.7378 119.1504 57.2869 40.9112 179.0817 139 K 3.8272 7.8782 119.7076 59.8520 31.8834 178.2723 140 E 3.9166 8.0468 117.7051 58.8695 29.5287 177.9720 141 L 4.2122 7.3428 116.7113 54.9018 42.2125 176.5679 142 L 4.1872 7.1820 122.4113 54.6309 41.8433 176.0645 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 2 V 8.04 4.00 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 0.77 0.00 0.00 0.91 0.00 0.00 3 T 7.66 3.86 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 1.20 0.00 0.00 4 V 8.31 3.81 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 0.87 0.00 0.00 0.95 0.00 0.00 5 G 9.31 3.96 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 0.00 0.00 0.00 6 K 7.86 4.43 0.00 1.75 1.71 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.54 7.81 7 S 8.46 4.70 0.00 3.74 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 4.05 1.46 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 9 P 0.00 4.29 0.00 2.07 2.00 0.00 2.52 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 10 Y 8.60 4.16 0.00 2.90 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 11 F 6.76 4.86 0.00 3.02 3.10 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 0.00 0.00 0.00 0.00 12 S 8.51 4.70 0.00 3.76 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 13 L 9.11 4.99 0.00 1.58 1.38 0.59 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.93 0.00 2.17 2.21 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.96 0.00 15 N 8.77 6.19 0.00 3.22 3.16 0.00 0.00 6.88 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 16 E 8.97 4.34 0.00 1.96 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 0.00 1.65 2.17 0.00 17 K 8.51 4.40 0.00 1.77 1.85 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.43 7.81 18 G 8.39 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 0.00 0.00 0.00 19 E 8.32 4.25 0.00 2.13 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 2.31 0.00 20 K 8.81 4.50 0.00 1.73 1.80 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.52 7.81 21 L 9.18 5.08 0.00 1.75 1.85 1.08 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.35 4.79 0.00 3.56 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 23 R 7.65 3.89 0.00 1.48 1.88 0.00 3.26 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 24 S 7.79 4.38 0.00 4.09 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 25 A 8.04 4.22 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 26 E 8.75 3.93 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 2.27 2.23 0.00 27 R 7.68 3.93 0.00 1.60 1.75 0.00 2.35 0.00 0.00 2.91 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.50 0.00 28 F 8.06 5.07 0.00 3.19 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 29 R 7.97 3.98 0.00 1.81 1.89 0.00 3.33 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 30 N 8.93 4.31 0.00 2.88 2.92 0.00 0.00 6.80 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 31 R 7.32 4.91 0.00 2.07 1.83 0.00 3.34 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 32 Y 9.07 4.28 0.00 3.18 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 33 L 8.89 4.89 0.00 1.68 1.46 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.60 4.79 0.00 1.78 1.45 0.97 1.07 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 35 L 9.00 4.59 0.00 1.54 1.10 0.53 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.00 5.51 0.00 2.85 3.00 0.00 0.00 6.56 8.62 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 37 F 9.82 5.16 0.00 3.07 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 38 W 8.36 5.25 0.00 3.51 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 3.85 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.18 4.42 0.00 4.15 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 41 W 7.55 4.54 0.00 3.56 3.27 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 42 C 7.75 4.58 0.00 2.55 2.86 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 0.00 0.00 0.00 43 D 7.86 4.82 0.00 2.92 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 44 P 0.00 4.63 0.00 2.20 2.07 0.00 3.75 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 2.01 2.01 0.00 45 Q 8.13 4.67 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 46 P 0.00 4.27 0.00 2.27 2.32 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 47 E 8.11 3.89 0.00 2.19 2.25 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 2.37 2.33 0.00 48 A 7.89 3.98 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 49 N 8.55 4.34 0.00 2.74 2.91 0.00 0.00 6.95 7.55 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 50 A 8.19 3.97 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 51 E 8.13 3.83 0.00 2.26 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 2.29 2.50 0.00 52 L 7.84 3.75 0.00 1.76 0.86 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.76 4.12 0.00 2.03 1.92 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.89 7.81 54 R 8.29 3.87 0.00 1.99 1.93 0.00 3.10 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 55 L 7.81 4.01 0.00 1.78 1.78 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.17 4.29 0.00 2.47 3.06 0.00 0.00 7.26 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.97 4.08 0.00 2.09 1.75 0.00 1.70 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.46 7.81 58 E 8.22 3.75 0.00 1.66 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 1.47 1.47 0.00 59 Y 7.64 4.72 0.00 3.15 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 60 K 7.91 4.04 0.00 1.88 1.89 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 61 K 7.98 4.06 0.00 1.82 1.89 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.45 7.81 62 N 8.06 4.65 0.00 2.96 3.14 0.00 0.00 7.03 5.51 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 63 K 8.63 4.24 0.00 1.84 1.90 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.45 7.81 64 N 8.94 4.89 0.00 2.94 3.05 0.00 0.00 6.27 8.95 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 65 F 8.32 5.50 0.00 2.81 2.86 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 0.00 0.00 0.00 66 A 8.28 4.22 1.30 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 0.00 0.00 *68 L 8.51 4.52 0.00 1.38 1.25 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 69 G 9.40 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.93 4.73 0.65 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.51 0.47 0.00 0.00 71 S 8.29 4.10 0.00 3.22 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 72 L 7.95 4.56 0.00 1.50 1.81 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 73 D 7.78 4.92 0.00 2.39 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 74 I 8.48 4.54 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.95 0.00 0.00 75 D 7.93 4.63 0.00 2.76 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 76 R 8.06 4.02 0.00 1.39 1.81 0.00 3.09 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 77 E 8.29 3.92 0.00 2.13 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 0.00 2.39 2.47 0.00 78 A 8.43 4.07 1.46 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 79 W 8.46 4.46 0.00 3.51 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 80 E 8.72 3.64 0.00 2.01 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 2.56 2.57 0.00 81 T 8.18 3.85 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 82 A 8.11 4.04 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 0.00 0.00 0.00 0.00 0.00 83 I 7.96 3.30 1.64 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.54 0.00 0.00 84 K 7.97 3.86 0.00 1.91 1.78 0.00 1.41 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.39 7.81 85 K 8.11 3.86 0.00 1.68 1.90 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.41 7.81 86 D 7.97 4.51 0.00 2.61 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 87 T 7.12 3.32 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 1.16 0.00 0.00 88 L 7.51 3.22 0.00 0.81 0.13 -0.27 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.62 4.06 0.00 4.00 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 0.00 90 W 7.82 4.54 0.00 3.33 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 91 D 8.81 4.65 0.00 2.96 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 92 Q 8.72 5.20 0.00 1.91 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.30 1.97 0.00 93 V 8.84 5.05 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 0.90 0.00 0.00 0.83 0.00 0.00 94 C 8.08 4.27 0.00 1.23 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 95 D 7.90 4.32 0.00 2.72 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 96 F 6.91 4.46 0.00 3.21 3.33 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 97 T 7.40 4.23 4.23 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 1.28 0.00 0.00 98 G 7.90 4.77 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 0.00 0.00 0.00 99 L 8.60 4.32 0.00 1.91 1.84 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.19 4.53 0.00 4.02 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 0.00 101 S 8.21 3.83 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 3.97 0.00 2.10 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 2.44 2.46 0.00 103 T 8.01 4.01 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 1.21 0.00 0.00 104 A 8.01 3.79 1.30 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 0.00 0.00 105 K 8.09 3.81 0.00 1.94 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 106 Q 8.45 4.25 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 107 Y 8.31 4.05 0.00 2.81 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.20 3.77 1.26 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 0.00 0.00 109 I 7.88 3.92 1.51 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 -0.36 0.69 0.00 0.00 110 L 8.43 4.40 0.00 1.61 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 111 T 7.37 4.73 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 1.23 0.00 0.00 112 L 8.05 4.88 0.00 1.51 1.48 0.53 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.88 0.00 2.16 2.16 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 114 T 8.87 4.76 4.23 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 1.21 0.00 0.00 115 N 8.88 5.52 0.00 2.87 2.76 0.00 0.00 6.91 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.87 5.00 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.27 1.15 0.00 0.00 117 L 9.03 5.04 0.00 1.81 1.59 1.13 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.05 5.36 0.00 1.65 1.60 1.09 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.97 4.56 0.00 3.80 4.02 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 0.00 120 P 0.00 4.67 0.00 1.85 2.03 0.00 3.12 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.32 0.00 121 T 7.78 4.25 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 1.18 0.00 0.00 122 G 8.57 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 0.00 0.00 0.00 123 K 7.67 4.85 0.00 1.83 1.66 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 124 I 8.58 4.40 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.61 0.97 0.00 0.00 125 L 9.08 4.69 0.00 1.64 1.78 1.18 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 126 A 7.37 4.44 1.21 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 0.00 0.00 127 R 8.57 4.72 0.00 1.78 1.83 0.00 3.62 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 128 D 8.61 4.34 0.00 2.80 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 0.00 129 I 7.79 4.24 1.89 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 1.47 0.97 0.94 0.00 0.00 130 Q 8.23 4.54 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.69 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 131 G 8.49 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.80 3.95 0.00 2.01 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 2.39 2.37 0.00 133 A 7.98 4.19 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 0.00 134 L 7.77 3.85 0.00 1.77 1.80 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 135 T 7.91 3.93 4.32 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 1.19 0.00 0.00 136 G 8.57 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 7.70 3.85 0.00 1.86 1.92 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 138 L 7.74 3.76 0.00 1.49 1.03 0.41 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.88 3.83 0.00 2.00 1.79 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.49 7.81 140 E 8.05 3.92 0.00 2.02 2.19 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 2.28 2.33 0.00 141 L 7.34 4.21 0.00 1.11 0.87 0.67 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.18 4.19 0.00 1.57 1.47 0.61 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.