NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.8340 0.0000 0.0000 62.5355 34.0698 174.3367 *3 C 4.6473 8.2437 119.5717 59.4296 32.7019 172.0106 4 E 5.0382 8.7775 124.2082 54.4472 32.5825 174.8983 5 V 4.3333 8.5737 123.7297 61.4572 33.4158 174.3179 6 I 4.7141 8.6302 130.2636 59.9986 39.0512 174.9149 7 T 5.0855 8.5106 121.1645 60.6945 71.0232 173.4511 8 N 4.8957 8.6272 123.0237 53.0670 38.2914 175.1035 9 V 3.9475 8.2169 121.4914 62.4761 32.0851 174.7344 10 N 3.9057 8.7907 126.4452 52.4501 39.2492 173.6821 11 L 4.6755 7.7658 126.6168 51.6172 45.3507 174.6992 12 P 4.2786 0.0000 0.0000 62.4900 33.1859 177.1531 13 D 4.2271 8.6765 121.0525 57.9422 40.8626 179.1019 14 D 4.2462 7.8915 117.7134 57.1978 41.2313 177.8561 15 N 4.2736 7.9528 116.6751 56.0931 38.5018 177.2258 16 V 3.2336 7.5999 119.6821 66.1656 31.5613 178.1261 17 Q 3.9397 8.1716 117.8429 58.8509 28.5288 178.8933 18 S 4.0391 7.7907 113.7562 61.7583 62.4138 176.4129 19 T 3.9033 8.1605 118.7868 66.6358 68.1736 176.8244 20 L 3.9960 8.2937 121.3153 57.6925 41.6064 179.5084 21 S 4.0963 8.1526 113.2876 61.3707 62.3242 176.2294 22 Q 3.9908 8.0291 120.6488 58.9861 28.4863 178.7724 23 I 3.6834 8.0025 121.0014 64.4613 37.0979 178.2289 24 E 3.9671 8.5788 119.5839 59.5712 29.2188 179.0774 25 N 4.2699 8.7193 116.4888 56.4541 38.7290 177.2424 26 A 3.9889 8.4193 122.3512 55.1183 18.0480 179.8649 27 I 3.6658 7.9060 118.2634 64.5861 37.2213 178.4626 28 S 4.1678 8.1611 116.1039 61.9187 62.5057 176.3798 29 D 4.3409 8.0550 120.0168 57.7774 40.7837 179.2369 30 V 3.7314 7.6032 116.6593 65.2109 31.5255 176.7371 31 M 4.5218 7.6356 113.8525 52.0540 32.6270 178.1482 32 G 3.7303 8.4547 109.9655 46.7260 0.0000 176.8599 33 K 4.1670 9.1271 127.9042 54.9513 32.2954 176.1433 *36 G 3.9994 8.7658 115.3112 45.8845 0.0000 172.8033 *37 Y 4.6799 7.5595 117.1141 53.9901 37.3230 175.7581 38 I 4.7841 7.3519 116.4632 59.0375 41.5011 175.4567 39 M 4.7283 8.1604 120.5609 54.3509 33.2686 175.9581 40 S 5.4452 8.2447 114.9122 56.6493 66.6675 172.4009 41 N 4.8787 8.3895 117.3221 52.8884 42.4285 172.4956 42 Y 4.8141 8.6895 124.9797 56.0967 41.1166 174.5531 43 D 4.8120 9.3024 129.2100 52.7138 42.4901 174.5913 44 Y 4.7668 8.7499 128.3611 57.5994 39.5077 175.1294 45 Q 4.3469 9.1514 127.2522 52.9609 29.3944 176.1477 46 K 3.5226 7.7848 122.5834 59.3783 32.7189 178.3158 47 N 4.6205 7.7759 113.8542 52.6800 38.9191 174.8294 48 L 4.0074 7.8385 121.7167 55.4194 42.5634 176.3831 49 R 4.8833 8.3194 123.7721 54.3767 33.4486 174.9095 50 F 4.5048 8.5672 122.4601 57.5028 42.3058 174.8455 51 G 3.2345 8.3618 115.5558 46.6267 0.0000 174.2873 52 G 3.8002 8.2407 104.6301 45.3172 0.0000 173.9695 53 S 4.5860 7.6193 113.5815 56.3444 65.0388 173.5981 54 N 5.0010 8.7057 124.3503 53.5047 38.7304 174.6237 55 E 4.1796 7.8255 116.1341 55.6971 30.1161 176.6184 56 A 4.3594 8.3757 123.1230 53.5453 18.9071 176.5350 57 Y 4.9945 9.0236 121.6685 56.8256 43.1454 172.9940 58 C 4.9178 7.9354 122.7250 57.7383 32.4543 172.5305 59 F 5.2051 9.1842 126.3953 56.3840 41.5955 173.9929 60 V 4.3699 8.5725 126.8939 60.9260 33.7707 174.0153 61 R 4.4794 8.4183 128.9310 54.3309 32.7139 174.1410 62 I 4.5651 8.1856 127.4735 59.8440 39.6484 174.5860 63 T 4.8604 8.3141 123.7829 62.0960 71.2647 174.9248 64 S 3.8145 8.3300 122.4360 59.6939 61.0030 173.0501 65 I 4.2737 7.7462 120.7906 59.5638 37.7055 176.4361 66 G 3.7082 8.7758 115.4358 48.6277 0.0000 175.1021 67 G 3.7299 8.0915 108.7344 46.9716 0.0000 173.0345 68 I 4.3122 7.2525 121.5382 60.2126 37.9169 174.7582 69 N 5.0016 10.0863 125.4435 51.3846 42.1105 176.3042 70 R 3.8079 8.3400 116.3309 58.6931 29.4456 176.5718 71 S 4.2833 7.9838 110.4418 60.9906 62.6462 174.2246 72 N 5.0088 8.8421 114.9017 51.3416 39.2985 175.8061 73 N 4.0399 8.0785 118.7717 56.2939 37.2755 176.8300 74 S 4.2360 8.0881 117.0297 61.5003 62.9139 176.5758 75 A 4.0254 7.9588 122.5417 54.8936 18.0656 179.2121 76 L 3.8786 8.0285 118.6475 58.3817 42.2144 178.9643 77 A 3.9588 8.4393 121.0455 55.3609 18.1920 179.1626 78 D 4.2532 8.2636 116.4035 57.4287 41.3166 178.4189 79 Q 3.9833 8.2867 118.7320 59.1002 28.7462 179.0214 80 I 3.6822 7.9657 120.8540 64.5804 37.1527 178.4221 81 T 3.8191 7.9934 116.6949 66.8181 68.3263 176.7119 82 K 4.0010 8.3241 120.3588 59.4662 32.0834 179.4408 83 L 4.0360 7.9375 119.2407 57.6706 41.4670 179.5039 84 L 4.1226 7.9842 118.9302 57.4142 41.7389 179.6856 85 V 3.9863 7.8082 113.8043 63.9088 31.2471 178.7078 86 S 4.0930 7.8548 113.6591 61.8411 62.8693 176.1614 87 N 4.6171 8.1096 116.8405 54.4201 38.6998 175.9672 88 L 4.5528 7.8511 117.4739 53.4751 43.3277 175.5105 89 N 4.2536 7.8672 115.5825 54.7238 37.5825 173.6531 90 V 4.3918 7.4320 115.2028 60.3767 33.8944 174.6511 91 K 4.2457 8.4404 126.1112 56.0602 32.7482 178.2257 92 S 4.3041 8.8890 118.0809 61.4265 62.8753 176.5661 93 R 4.0605 8.1241 119.7487 58.5341 30.1317 176.5965 94 R 4.8786 8.5548 117.1849 55.9312 31.6785 175.1810 95 I 4.5859 7.6173 120.0646 59.6394 39.5013 174.5527 96 Y 4.7404 8.7289 129.3324 55.6857 41.2344 174.1909 97 V 4.3561 7.9256 126.6524 61.0656 33.1644 174.2872 98 E 4.5193 8.7609 128.6181 54.2500 33.1551 174.2819 99 F 4.9786 8.8241 124.2805 56.2084 40.5066 175.3854 100 R 4.8028 9.2387 123.3682 54.5735 33.2105 174.9494 101 D 5.3163 8.6164 120.1221 52.8574 43.5181 175.4411 102 C 4.9396 8.1070 117.5308 57.7121 31.7422 174.3699 103 S 4.3931 8.4736 118.0400 58.5741 63.2547 173.6352 104 A 4.5592 7.8285 124.2655 51.3143 21.9487 177.0892 105 Q 3.1732 8.5724 121.8598 56.4447 29.2085 174.2732 *106 N 4.5254 8.4825 112.5918 52.6732 38.3426 170.9252 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 P 0.00 4.83 0.00 2.01 2.21 0.00 4.13 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.82 0.00 *3 C 8.24 4.65 0.00 2.96 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 4 E 8.78 5.04 0.00 1.93 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 2.13 1.99 0.00 5 V 8.57 4.33 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 0.65 0.00 0.00 0.84 0.00 0.00 6 I 8.63 4.71 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.32 0.99 0.00 0.00 7 T 8.51 5.09 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 0.72 0.00 0.00 8 N 8.63 4.90 0.00 2.79 3.06 0.00 0.00 6.88 9.03 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 9 V 8.22 3.95 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 0.88 0.00 0.00 1.01 0.00 0.00 10 N 8.79 3.91 0.00 2.50 2.59 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 11 L 7.77 4.68 0.00 1.45 1.02 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.28 0.00 2.11 1.88 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 13 D 8.68 4.23 0.00 2.61 2.68 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 0.00 0.00 0.00 14 D 7.89 4.25 0.00 2.74 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 15 N 7.95 4.27 0.00 2.90 2.75 0.00 0.00 6.77 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 16 V 7.60 3.23 2.02 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 0.83 0.00 0.00 0.22 0.00 0.00 17 Q 8.17 3.94 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 18 S 7.79 4.04 0.00 4.03 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 19 T 8.16 3.90 4.39 0.00 0.00 0.00 0.00 0.00 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 20 L 8.29 4.00 0.00 1.67 1.72 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.15 4.10 0.00 3.89 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 22 Q 8.03 3.99 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 23 I 8.00 3.68 1.99 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 1.49 0.96 0.88 0.00 0.00 24 E 8.58 3.97 0.00 2.11 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 2.42 0.00 25 N 8.72 4.27 0.00 2.85 2.87 0.00 0.00 6.94 7.58 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 26 A 8.42 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.91 3.67 2.02 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 1.54 0.94 0.93 0.00 0.00 28 S 8.16 4.17 0.00 3.99 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 29 D 8.06 4.34 0.00 2.76 2.75 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 30 V 7.60 3.73 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 0.89 0.00 0.00 0.97 0.00 0.00 31 M 7.64 4.52 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.68 0.00 32 G 8.45 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.13 4.17 0.00 1.73 1.78 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 *36 G 8.77 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 *37 Y 7.56 4.68 0.00 2.29 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 38 I 7.35 4.78 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 1.41 1.01 0.91 0.00 0.00 39 M 8.16 4.73 0.00 1.95 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 40 S 8.24 5.45 0.00 3.83 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 41 N 8.39 4.88 0.00 2.84 2.64 0.00 0.00 6.36 7.56 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 42 Y 8.69 4.81 0.00 2.94 2.74 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 43 D 9.30 4.81 0.00 2.73 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 44 Y 8.75 4.77 0.00 3.23 3.03 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 45 Q 9.15 4.35 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.52 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 46 K 7.78 3.52 0.00 1.79 1.56 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.16 1.36 7.81 47 N 7.78 4.62 0.00 2.68 2.86 0.00 0.00 6.83 7.85 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 48 L 7.84 4.01 0.00 1.69 1.71 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.32 4.88 0.00 1.73 1.71 0.00 3.19 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.75 0.00 50 F 8.57 4.50 0.00 1.58 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 0.00 0.00 0.00 0.00 51 G 8.36 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 0.00 0.00 0.00 52 G 8.24 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 0.00 0.00 0.00 53 S 7.62 4.59 0.00 3.81 3.78 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 54 N 8.71 5.00 0.00 2.70 2.79 0.00 0.00 7.11 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 55 E 7.83 4.18 0.00 2.09 1.95 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 2.38 2.45 0.00 56 A 8.38 4.36 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 57 Y 9.02 4.99 0.00 3.20 2.79 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 0.00 0.00 0.00 58 C 7.94 4.92 0.00 2.60 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 59 F 9.18 5.21 0.00 3.13 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 60 V 8.57 4.37 1.74 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 0.45 0.00 0.00 0.71 0.00 0.00 61 R 8.42 4.48 0.00 0.91 1.33 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.00 62 I 8.19 4.57 1.26 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.16 0.95 0.00 0.00 63 T 8.31 4.86 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 1.21 0.00 0.00 64 S 8.33 3.81 0.00 4.04 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 65 I 7.75 4.27 1.94 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 1.36 0.74 0.94 0.00 0.00 66 G 8.78 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 67 G 8.09 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.25 4.31 1.89 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 1.34 0.98 0.76 0.00 0.00 69 N 10.09 5.00 0.00 2.58 2.62 0.00 0.00 6.68 7.54 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 70 R 8.34 3.81 0.00 1.83 1.86 0.00 3.17 0.00 0.00 3.81 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 0.00 71 S 7.98 4.28 0.00 3.78 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 72 N 8.84 5.01 0.00 2.85 2.91 0.00 0.00 6.56 7.07 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 73 N 8.08 4.04 0.00 1.95 2.16 0.00 0.00 6.18 7.64 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 74 S 8.09 4.24 0.00 3.88 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 75 A 7.96 4.03 1.36 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 0.00 0.00 0.00 76 L 8.03 3.88 0.00 1.96 2.05 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.44 3.96 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 78 D 8.26 4.25 0.00 2.83 2.68 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 0.00 0.00 0.00 79 Q 8.29 3.98 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 80 I 7.97 3.68 1.80 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 1.48 0.65 0.82 0.00 0.00 81 T 7.99 3.82 4.37 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 1.20 0.00 0.00 82 K 8.32 4.00 0.00 1.92 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.65 7.81 83 L 7.94 4.04 0.00 1.89 1.72 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.98 4.12 0.00 1.78 1.67 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.81 3.99 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 1.28 0.00 0.00 0.94 0.00 0.00 86 S 7.85 4.09 0.00 4.01 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 87 N 8.11 4.62 0.00 2.76 2.88 0.00 0.00 6.99 7.13 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 88 L 7.85 4.55 0.00 1.82 1.73 1.05 0.97 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 89 N 7.87 4.25 0.00 2.86 2.93 0.00 0.00 6.96 8.11 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 90 V 7.43 4.39 2.07 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 0.97 0.00 0.00 1.00 0.00 0.00 91 K 8.44 4.25 0.00 1.92 1.76 0.00 1.80 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.47 7.81 92 S 8.89 4.30 0.00 4.01 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 93 R 8.12 4.06 0.00 1.85 2.09 0.00 3.24 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 94 R 8.55 4.88 0.00 1.93 2.14 0.00 3.28 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 95 I 7.62 4.59 1.81 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 0.98 0.65 0.77 0.00 0.00 96 Y 8.73 4.74 0.00 2.85 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 97 V 7.93 4.36 1.85 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 0.35 0.00 0.00 0.75 0.00 0.00 98 E 8.76 4.52 0.00 1.87 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 2.19 2.33 0.00 99 F 8.82 4.98 0.00 2.95 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 0.00 100 R 9.24 4.80 0.00 1.70 1.84 0.00 3.11 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 101 D 8.62 5.32 0.00 2.54 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 0.00 0.00 0.00 102 C 8.11 4.94 0.00 2.89 2.80 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 0.00 103 S 8.47 4.39 0.00 3.87 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 0.00 104 A 7.83 4.56 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 0.00 105 Q 8.57 3.17 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 *106 N 8.48 4.53 0.00 2.51 2.67 0.00 0.00 6.44 7.56 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 * Residues marked with a * may have inaccurate shift predictions.