NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 4.7456 8.3249 115.8477 56.3874 39.8972 175.2629 5 L 3.7199 6.7775 120.8174 54.3263 39.6169 174.7346 *8 L 4.3503 8.8946 124.5665 54.2026 44.6782 177.9196 9 R 4.0254 7.9210 118.0913 54.9501 30.4354 174.7092 10 P 4.3210 0.0000 0.0000 62.3680 31.6834 176.0872 11 G 3.7648 8.3412 107.7452 46.5912 0.0000 173.2560 12 S 4.2735 8.1517 117.0689 56.8397 64.8854 174.6292 13 L 3.7295 8.3633 127.6207 55.9906 41.1257 177.5410 *15 R 3.9310 7.9344 114.3524 55.9304 31.2054 176.4729 *17 C 4.9422 8.1559 114.9166 56.7325 42.0017 174.2126 18 K 4.3533 7.8264 118.2135 56.8092 31.8807 176.9285 *21 Q 4.3767 7.9592 116.6136 55.9465 29.9518 173.8895 22 C 5.2575 9.1865 116.2132 53.4541 44.5372 173.7747 23 S 4.9139 8.4655 115.6254 57.0581 64.5184 174.4814 24 F 3.0122 8.0537 122.8890 58.1719 37.0035 174.6301 *27 A 4.0711 7.9413 127.2203 51.8146 20.7924 180.8114 28 R 4.0503 7.9399 118.0900 56.1421 29.4551 178.7521 *30 I 3.8429 7.9443 117.1242 61.0336 38.7775 177.6405 31 F 4.2153 7.8389 116.5393 58.2380 38.9052 175.7124 32 K 3.8442 8.1042 119.1308 56.6478 30.3088 174.5309 33 D 4.2371 7.9213 111.6648 53.5660 44.0840 175.8517 34 A 4.4472 8.9113 128.3684 52.8667 19.1093 178.6750 *36 R 4.1668 8.0534 116.6084 57.3428 31.5158 177.9104 37 T 3.5218 8.0646 109.7433 64.4481 68.5080 176.5858 38 K 4.3484 8.5427 122.6446 59.3619 32.3507 178.8043 39 L 3.9578 7.8491 120.3503 57.8341 42.3597 178.3539 40 F 4.2474 8.2329 120.5701 61.1172 39.3113 176.8405 41 W 4.1483 8.9708 128.4540 60.4233 30.2473 177.5056 42 I 3.6982 7.9624 119.3559 64.9541 37.0074 177.9723 43 S 4.2068 7.7855 114.6819 61.2195 62.7631 175.7176 44 Y 3.7633 7.2171 121.8445 60.3850 38.3165 177.1148 45 S 3.9197 7.0801 110.7472 57.8073 63.3199 174.4534 46 D 4.1508 7.4081 122.3202 55.5551 41.1320 177.7638 47 G 3.8388 7.9002 101.9386 45.8064 0.0000 172.7343 48 D 4.8814 8.0523 119.9841 52.3483 40.1686 177.0413 49 Q 4.0621 8.8216 126.0045 58.1707 29.0026 177.3778 50 C 4.2543 8.2011 114.1503 57.3310 40.9050 175.0400 51 A 3.8092 8.0085 123.9767 55.2931 17.8724 178.6705 52 S 4.2758 7.8990 106.6452 57.9395 63.8925 174.1560 53 S 3.6048 7.8661 116.7452 59.4044 60.1318 170.7783 54 P 4.1767 0.0000 0.0000 65.3337 31.9211 178.1884 55 C 4.5327 7.8899 116.6194 56.5534 40.9964 173.4288 56 Q 4.1708 9.0345 125.3902 55.0032 29.9347 175.2188 57 N 3.9176 9.3505 113.3347 54.5633 35.7943 175.4802 58 G 3.7834 8.1850 101.4972 45.9557 0.0000 174.1410 59 G 4.0806 7.8488 107.0994 45.6204 0.0000 173.4977 60 S 4.9713 9.3313 115.0423 56.5040 65.4345 172.2593 61 C 5.4096 8.8208 123.4912 54.9060 46.5987 172.4366 62 K 4.6870 9.0411 126.6892 54.4207 34.4437 174.8525 63 D 4.9270 8.8902 127.4320 54.8139 42.1904 175.2096 64 Q 4.4733 8.5321 121.7478 54.4382 31.6882 174.1554 65 L 4.3530 8.4339 118.8506 55.6438 41.3347 177.0902 66 Q 3.6745 9.1939 124.2573 56.3593 27.0538 173.5538 67 S 4.5881 7.4195 110.9095 58.5686 65.9740 173.4401 68 Y 5.3029 7.5925 117.6570 56.2195 41.0924 173.9829 69 I 4.5391 8.9326 119.5142 59.7067 41.0322 174.0173 70 C 5.4560 8.8291 123.8052 55.4713 38.6973 173.0100 71 F 4.6531 9.7304 123.3790 56.3154 40.1496 174.7223 72 C 5.1265 8.7418 121.2202 55.1997 43.2896 173.9184 73 L 4.4278 8.5394 120.4394 53.9149 42.1864 176.5038 74 P 4.1391 0.0000 0.0000 66.0660 31.4078 177.2724 75 A 4.2319 7.8799 118.2076 51.9560 18.4869 176.2506 76 F 5.3748 8.0241 115.2584 56.5309 42.9352 173.6523 77 E 4.5944 9.1338 119.7204 55.0305 32.8245 174.4490 78 G 4.2623 8.9811 104.8652 44.5666 0.0000 174.5163 79 R 3.8444 8.6114 120.0571 58.9134 30.1221 177.2950 80 N 5.0306 8.5918 113.6297 52.8488 39.0823 174.0293 81 C 4.5104 8.1306 113.3287 58.0224 38.2994 174.4102 82 E 4.0194 8.3214 117.6168 58.0735 30.1154 176.3725 83 T 4.3486 8.1992 118.5807 62.7965 69.4264 173.4999 84 H 4.8022 8.8950 124.3564 54.4053 29.2976 176.2924 85 K 3.9818 8.6089 126.0370 59.4639 32.0304 179.2570 86 D 4.4449 7.8949 116.8794 56.3813 40.8708 176.4422 87 D 4.8145 7.8666 117.9285 54.2760 40.8815 176.5603 88 Q 4.5544 7.6948 116.6805 55.7909 29.2765 177.0266 89 L 4.3407 7.6897 121.3590 53.9151 40.5354 175.4939 90 I 4.7782 7.0677 114.8140 58.4346 41.2290 178.0912 91 C 4.2632 9.3445 119.6255 60.1626 40.1348 176.7084 92 V 3.4140 7.7037 117.1993 63.1587 31.5995 175.7120 93 N 4.5208 8.2908 120.7495 52.6864 38.0953 174.2797 94 E 3.9629 9.2357 129.2638 57.6655 27.4613 175.0404 95 N 4.3858 8.2529 109.3255 53.3394 37.8414 174.2129 96 G 3.9360 8.9171 101.2549 45.7858 0.0000 175.6994 97 G 3.9181 8.2626 105.8729 45.3775 0.0000 173.9680 98 C 4.5195 7.8825 117.4818 56.2813 40.9730 173.6767 99 E 4.0110 8.9488 125.3929 58.5281 30.2048 176.8096 100 Q 4.1953 7.9683 112.5600 55.8510 31.0716 176.2113 101 Y 4.9819 5.7085 119.6820 57.7100 40.9730 174.7532 102 C 5.4168 8.7690 121.4059 54.9947 48.3696 173.2360 103 S 4.6981 8.8897 120.8490 56.7388 65.8651 173.4384 104 D 4.7081 8.6939 124.7227 54.7174 42.0420 176.5719 105 H 4.8964 8.5256 117.9943 53.9185 31.6077 172.4896 106 T 4.0306 8.4321 113.1893 63.2173 69.1029 173.2501 107 G 4.2576 9.4689 111.9368 45.5322 0.0000 173.2587 108 T 4.5252 7.3922 115.8515 61.4835 67.7483 172.9476 109 K 4.8427 8.4384 121.2549 53.8325 34.8309 176.2578 110 R 4.4465 8.6180 121.4299 56.4105 30.4394 175.5138 111 S 4.9582 8.9534 114.5690 56.8946 66.6509 171.9654 112 C 5.5638 8.7256 116.9609 55.5304 40.5161 173.1758 113 R 4.8709 8.9867 119.3994 55.0769 34.8575 173.0776 114 C 5.1603 8.5446 115.9586 55.1824 38.9054 174.0175 115 H 4.5252 9.2285 120.5256 55.4521 30.1782 174.6960 116 E 4.1916 8.3010 122.7256 58.2911 29.7873 177.9904 117 G 3.9805 9.5671 110.0984 45.3393 0.0000 172.0920 118 Y 5.3756 7.7473 115.4792 56.1307 42.4184 174.8952 119 S 4.8011 8.8838 114.8852 56.2831 66.7325 173.0253 120 L 4.5521 8.5618 124.9162 55.1412 42.6855 176.9841 121 L 4.3496 8.7474 126.5492 53.8377 43.0582 177.5468 122 A 4.0305 8.5061 121.7962 55.5886 18.2506 178.7150 123 D 4.3542 8.0697 113.5720 54.3551 39.3750 177.4870 124 G 4.0028 7.9844 107.6081 46.0077 0.0000 174.4523 125 V 4.4024 8.4450 111.5596 61.3715 35.1629 176.1349 126 S 4.9740 8.2090 115.6081 57.9235 64.6211 172.8324 127 C 5.5256 8.6899 117.9177 55.5328 43.9862 173.6204 128 T 4.9148 8.5939 116.1020 59.3995 70.5942 171.3577 129 P 4.4005 0.0000 0.0000 63.1239 31.7745 176.1863 130 T 4.5108 8.5980 112.5087 61.5539 69.7115 173.9434 131 V 4.4829 7.1992 114.0638 59.2648 35.8425 175.0988 132 E 3.8156 8.7237 121.6367 58.9100 29.5678 176.6207 133 Y 4.7755 7.2715 115.6730 54.9755 38.1869 173.1375 134 P 4.3810 0.0000 0.0000 61.8315 31.1975 177.1942 135 C 4.2368 8.5566 114.5725 59.4745 30.1116 174.0674 136 G 4.0206 8.8424 107.8770 46.1496 0.0000 173.4473 137 K 4.6183 7.5209 116.8422 54.2963 35.1998 176.5833 138 I 4.2983 7.9841 123.2400 58.8296 37.1585 174.4691 139 P 4.3062 0.0000 0.0000 65.5902 31.2791 179.0319 140 I 3.8984 7.8248 108.4802 62.6235 37.5765 176.2235 141 L 4.5461 7.7367 119.9993 55.3382 43.3232 176.2514 142 E 4.1580 7.7440 122.4308 56.5904 29.2770 176.5360 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 4 F 8.32 4.75 0.00 3.13 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 5 L 6.78 3.72 0.00 1.42 1.52 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 *8 L 8.89 4.35 0.00 1.77 1.79 1.07 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.92 4.03 0.00 1.79 1.86 0.00 3.21 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 10 P 0.00 4.32 0.00 2.14 2.05 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 11 G 8.34 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.15 4.27 0.00 3.74 3.67 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 13 L 8.36 3.73 0.00 1.38 1.41 0.23 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 *15 R 7.93 3.93 0.00 1.82 1.92 0.00 3.31 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 *17 C 8.16 4.94 0.00 3.08 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 18 K 7.83 4.35 0.00 1.81 1.89 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.46 7.81 *21 Q 7.96 4.38 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 22 C 9.19 5.26 0.00 3.18 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 23 S 8.47 4.91 0.00 4.10 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 24 F 8.05 3.01 0.00 2.09 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 *27 A 7.94 4.07 1.44 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 0.00 0.00 0.00 28 R 7.94 4.05 0.00 1.28 1.70 0.00 3.15 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.46 0.00 *30 I 7.94 3.84 1.47 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.21 0.00 0.00 31 F 7.84 4.22 0.00 2.97 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 32 K 8.10 3.84 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.44 7.81 33 D 7.92 4.24 0.00 2.63 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 4.45 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 *36 R 8.05 4.17 0.00 1.71 2.17 0.00 3.15 0.00 0.00 3.58 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.65 0.00 37 T 8.06 3.52 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 1.32 0.00 0.00 38 K 8.54 4.35 0.00 2.14 2.33 0.00 1.37 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.71 1.51 7.81 39 L 7.85 3.96 0.00 1.64 1.89 0.93 0.68 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 40 F 8.23 4.25 0.00 2.70 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 41 W 8.97 4.15 0.00 3.86 3.46 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 42 I 7.96 3.70 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.01 0.91 0.00 0.00 43 S 7.79 4.21 0.00 3.75 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 44 Y 7.22 3.76 0.00 1.67 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 0.00 0.00 0.00 45 S 7.08 3.92 0.00 3.46 2.63 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 46 D 7.41 4.15 0.00 2.77 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.90 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 0.00 0.00 0.00 48 D 8.05 4.88 0.00 2.70 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 49 Q 8.82 4.06 0.00 2.42 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 50 C 8.20 4.25 0.00 3.13 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 51 A 8.01 3.81 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 52 S 7.90 4.28 0.00 3.92 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 53 S 7.87 3.60 0.00 3.93 3.86 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 54 P 0.00 4.18 0.00 1.86 1.75 0.00 3.50 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.00 55 C 7.89 4.53 0.00 2.99 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 56 Q 9.03 4.17 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.16 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 57 N 9.35 3.92 0.00 1.64 1.42 0.00 0.00 6.89 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 58 G 8.19 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 0.00 0.00 0.00 59 G 7.85 4.08 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 0.00 0.00 0.00 60 S 9.33 4.97 0.00 3.80 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 61 C 8.82 5.41 0.00 2.99 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 62 K 9.04 4.69 0.00 2.12 1.92 0.00 1.60 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.49 7.81 63 D 8.89 4.93 0.00 2.88 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 64 Q 8.53 4.47 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 65 L 8.43 4.35 0.00 1.70 1.60 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 9.19 3.67 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 67 S 7.42 4.59 0.00 3.95 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 68 Y 7.59 5.30 0.00 3.09 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 69 I 8.93 4.54 1.95 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 1.12 0.68 0.49 0.00 0.00 70 C 8.83 5.46 0.00 3.02 3.07 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 71 F 9.73 4.65 0.00 2.96 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 72 C 8.74 5.13 0.00 3.02 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 73 L 8.54 4.43 0.00 2.04 1.74 1.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.14 0.00 2.03 2.16 0.00 3.73 0.00 0.00 3.72 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 75 A 7.88 4.23 0.80 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 76 F 8.02 5.37 0.00 3.01 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 77 E 9.13 4.59 0.00 2.13 2.05 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 2.22 2.28 0.00 78 G 8.98 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 0.00 0.00 0.00 0.00 79 R 8.61 3.84 0.00 1.74 2.00 0.00 3.21 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 80 N 8.59 5.03 0.00 2.97 3.06 0.00 0.00 7.07 7.24 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 81 C 8.13 4.51 0.00 3.18 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 82 E 8.32 4.02 0.00 2.11 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 2.32 2.30 0.00 83 T 8.20 4.35 4.35 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 1.26 0.00 0.00 84 H 8.90 4.80 0.00 3.36 3.27 0.00 5.82 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.61 3.98 0.00 1.75 1.78 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.41 7.81 86 D 7.89 4.44 0.00 2.62 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 87 D 7.87 4.81 0.00 2.80 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 88 Q 7.69 4.55 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.49 0.00 0.00 0.00 0.00 0.00 2.60 2.41 0.00 89 L 7.69 4.34 0.00 1.58 1.60 0.98 1.00 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 90 I 7.07 4.78 1.86 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 1.58 0.62 0.91 0.00 0.00 91 C 9.34 4.26 0.00 3.15 3.18 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 92 V 7.70 3.41 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 0.68 0.00 0.00 0.93 0.00 0.00 93 N 8.29 4.52 0.00 2.80 2.98 0.00 0.00 7.17 8.32 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 94 E 9.24 3.96 0.00 2.14 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 2.31 2.21 0.00 95 N 8.25 4.39 0.00 2.94 2.81 0.00 0.00 7.56 7.90 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 96 G 8.92 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 0.00 0.00 0.00 97 G 8.26 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 0.00 0.00 0.00 98 C 7.88 4.52 0.00 3.09 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 E 8.95 4.01 0.00 1.91 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 2.20 2.22 0.00 100 Q 7.97 4.20 0.00 1.74 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.64 0.00 0.00 0.00 0.00 0.00 1.90 2.05 0.00 101 Y 5.71 4.98 0.00 3.03 2.71 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 0.00 102 C 8.77 5.42 0.00 3.04 2.92 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 0.00 103 S 8.89 4.70 0.00 3.74 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.71 0.00 2.51 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 0.00 105 H 8.53 4.90 0.00 3.18 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.43 4.03 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 1.21 0.00 0.00 107 G 9.47 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 0.00 0.00 0.00 0.00 108 T 7.39 4.53 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 0.00 109 K 8.44 4.84 0.00 1.78 1.66 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.40 7.81 110 R 8.62 4.45 0.00 1.93 1.91 0.00 3.08 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 111 S 8.95 4.96 0.00 3.93 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 0.00 112 C 8.73 5.56 0.00 3.03 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 0.00 113 R 8.99 4.87 0.00 1.88 1.91 0.00 3.13 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 114 C 8.54 5.16 0.00 2.83 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 0.00 115 H 9.23 4.53 0.00 2.71 2.99 0.00 5.60 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 0.00 116 E 8.30 4.19 0.00 2.08 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 2.34 2.41 0.00 117 G 9.57 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 0.00 0.00 0.00 118 Y 7.75 5.38 0.00 2.91 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 0.00 119 S 8.88 4.80 0.00 3.87 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 0.00 120 L 8.56 4.55 0.00 1.68 1.64 1.00 1.06 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 0.00 121 L 8.75 4.35 0.00 1.92 1.62 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.51 4.03 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 0.00 123 D 8.07 4.35 0.00 2.78 2.82 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 0.00 124 G 7.98 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 0.00 125 V 8.44 4.40 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 0.72 0.00 0.00 0.96 0.00 0.00 126 S 8.21 4.97 0.00 4.05 3.77 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 0.00 127 C 8.69 5.53 0.00 2.89 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 0.00 128 T 8.59 4.91 4.27 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 1.28 0.00 0.00 129 P 0.00 4.40 0.00 1.81 1.62 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 130 T 8.60 4.51 4.20 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 1.24 0.00 0.00 131 V 7.20 4.48 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 0.69 0.00 0.00 0.83 0.00 0.00 132 E 8.72 3.82 0.00 1.70 1.66 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 0.00 1.47 1.91 0.00 133 Y 7.27 4.78 0.00 2.97 2.76 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 0.00 0.00 0.00 134 P 0.00 4.38 0.00 1.59 1.48 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 135 C 8.56 4.24 0.00 3.15 3.15 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 0.00 0.00 0.00 136 G 8.84 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 0.00 0.00 0.00 137 K 7.52 4.62 0.00 1.84 1.74 0.00 1.96 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.61 7.81 138 I 7.98 4.30 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 1.43 0.74 0.92 0.00 0.00 139 P 0.00 4.31 0.00 2.26 2.37 0.00 3.63 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 140 I 7.82 3.90 1.88 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 0.54 0.92 0.00 0.00 141 L 7.74 4.55 0.00 1.79 1.75 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 142 E 7.74 4.16 0.00 2.07 1.88 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 2.51 2.43 0.00 * Residues marked with a * may have inaccurate shift predictions.