NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8908 8.3549 109.7290 44.3408 0.0000 175.1889 4 P 3.9794 0.0000 0.0000 62.1054 32.6683 172.7931 5 E 3.8260 9.4811 126.0193 58.9956 31.0048 175.5205 6 Y 4.9793 7.5571 118.2352 56.8649 39.6163 174.5750 7 K 4.5017 9.7304 125.7753 55.7224 33.5765 176.1304 8 V 4.8729 8.6272 125.3784 60.9793 34.2941 174.2206 9 A 4.8812 8.9394 128.4626 50.0058 22.4953 174.6743 10 I 4.9918 8.5491 122.5057 59.4227 40.1898 174.3335 11 L 5.2743 9.0936 129.7152 53.7803 44.2947 174.9560 12 T 4.8121 9.3522 124.1184 62.2336 70.5339 173.8868 13 V 4.6379 8.5923 126.8028 61.1079 33.5006 174.8938 14 S 5.1187 8.9326 122.6186 57.2547 66.4266 176.9677 15 D 4.4092 8.8815 129.4226 58.0826 40.5447 179.4661 16 T 3.8252 7.8090 115.1689 66.7473 68.5700 176.7934 17 V 3.7643 7.9605 120.1895 66.0977 31.3637 177.9516 18 S 4.0785 8.1755 111.7640 60.9706 62.2712 175.2024 19 A 4.3436 7.7597 120.8684 51.9786 18.5559 178.2025 20 G 3.8294 8.2279 105.9830 45.3595 0.0000 175.0107 21 A 3.9548 7.7825 121.3691 53.0170 18.4573 177.2816 22 G 3.9228 7.1342 103.3858 44.7431 0.0000 170.7782 23 P 4.6472 0.0000 0.0000 61.1205 33.2309 173.8672 24 D 4.7923 8.3764 117.1970 52.9218 41.2204 176.2530 25 R 4.4796 8.5241 125.2008 56.4391 31.8456 178.1912 26 S 4.5289 8.2510 113.1710 60.2036 63.8982 176.0334 27 G 4.0750 9.4732 111.8179 46.6942 0.0000 173.8682 28 P 4.3975 0.0000 0.0000 65.0714 31.3202 178.6963 29 R 3.9141 7.5590 114.7326 58.8842 29.8837 178.6155 30 A 3.9605 8.2158 120.9216 55.2842 18.4650 179.5019 31 V 3.5058 8.0873 117.1190 66.6469 31.4026 178.2282 32 S 4.1677 7.9164 111.9122 61.0356 61.9677 176.1922 33 V 3.5795 7.9306 120.9494 65.7502 31.4966 177.9107 34 V 3.7129 8.0302 118.3042 66.1332 31.4385 177.4713 35 D 4.3690 8.1026 118.4836 57.6597 40.6161 178.9082 36 S 4.2971 8.2875 111.2067 60.1268 62.6851 174.9579 37 S 4.6469 8.4369 116.5041 58.5354 62.6982 175.5439 38 S 4.0705 7.7571 117.6497 62.1712 62.0083 175.1767 39 E 3.9154 8.3420 121.2219 59.0269 29.0856 178.2942 40 K 3.6694 8.0275 120.2337 59.4949 32.3885 178.1105 41 L 4.4740 8.1990 117.0033 54.4960 41.7112 177.5843 42 G 3.8304 8.5669 108.0856 45.3108 0.0000 172.6413 43 G 3.6343 10.5080 110.8814 45.4142 0.0000 172.5587 44 A 5.2330 8.5686 126.1200 50.1566 23.0685 174.8498 45 K 4.5420 8.8980 119.0001 55.1098 36.3324 174.9864 46 V 4.4182 7.7395 124.7597 62.6407 31.7374 175.9996 47 V 4.4213 8.2845 119.8136 61.0158 32.9862 175.4969 48 A 4.6224 7.2790 120.7664 51.1456 22.1593 175.4362 49 T 5.3069 8.4348 109.5903 60.4495 72.4651 172.5598 50 A 4.8569 9.2085 122.8359 51.0449 23.3841 175.1704 51 V 4.9141 8.3178 118.2766 61.3667 34.3581 175.1670 52 V 4.6931 8.4713 119.2874 58.8982 36.5036 173.2501 53 P 4.7106 0.0000 0.0000 62.7127 32.8043 176.7355 54 D 4.7441 9.4062 120.7963 53.0416 39.6213 175.0677 55 E 4.5902 8.0737 120.2878 53.7008 33.9084 176.3873 56 V 3.6125 8.8309 117.9414 64.7294 31.5276 178.3557 57 E 4.1495 8.0863 117.3636 59.6986 29.5657 179.6129 58 R 3.8538 7.9059 117.3288 59.0617 30.0933 179.1728 59 I 3.7532 7.5384 119.3734 64.3083 37.1122 177.8670 60 K 3.7240 8.9009 120.1063 59.9712 31.8256 178.4493 61 D 4.3480 8.3845 118.5440 57.8464 40.8593 179.5459 62 I 3.2140 7.0762 118.4591 64.1862 37.0925 178.4344 63 L 3.9696 7.6916 119.7357 57.8342 41.3310 179.7767 64 Q 3.9473 8.2176 118.2141 58.9175 28.7632 178.6333 65 K 3.9143 8.6887 121.2832 59.3887 32.3536 178.8327 66 W 4.7049 8.6069 119.4063 59.2420 28.7211 178.8861 67 S 4.3215 7.9242 114.5095 61.5804 62.6645 175.9129 68 D 4.5496 8.7688 120.5014 55.9674 40.7532 177.2926 69 V 4.1893 7.6444 116.7789 64.6365 32.7793 176.6076 70 D 4.4788 8.2132 116.4286 54.5220 41.2204 174.7735 71 E 3.6309 7.4003 119.5722 56.7024 29.5726 174.2714 *73 D 4.7482 8.3130 119.4683 53.9427 44.1232 175.1895 74 L 5.0255 7.9710 120.0752 53.6182 45.8132 174.9195 75 I 5.0280 8.9546 127.6465 59.5860 40.1152 174.4186 76 L 5.2432 8.7610 127.7005 53.3404 43.8035 175.9296 77 T 5.0862 8.6776 114.0799 60.2367 71.9784 173.5639 78 L 4.8806 8.8606 122.4182 54.3505 45.1781 177.6025 79 G 4.0955 9.0174 108.8033 46.8675 0.0000 172.7003 80 G 4.2985 9.0020 105.1829 46.9368 0.0000 174.7910 81 T 4.5012 7.9909 106.9370 60.9344 69.4637 174.3040 82 G 4.1569 7.6905 112.5600 45.2456 0.0000 173.5769 83 F 4.5006 8.8824 116.6781 58.3416 39.8543 176.5086 84 T 4.0833 7.9447 117.8236 63.1970 68.8091 173.3155 85 P 4.3068 0.0000 0.0000 65.6291 31.6201 178.4218 86 R 3.9617 7.9047 116.1546 58.5962 30.3765 175.8166 87 D 4.4228 7.9306 117.9686 55.1741 40.4099 176.5077 88 V 5.0071 7.9932 116.2141 59.6613 33.2921 178.3420 89 T 3.9021 8.6024 120.9276 66.2329 68.0529 174.9294 90 P 4.2547 0.0000 0.0000 65.5459 31.2275 178.3074 91 E 3.9091 8.2554 116.7779 59.5022 29.1067 179.2917 92 A 3.9942 7.7181 119.8026 55.4390 18.7434 179.4427 93 T 3.9516 8.2648 114.6624 66.7708 68.1461 176.9929 94 K 4.0496 8.3152 120.5595 59.2603 31.8728 179.2031 95 K 4.1508 7.7339 117.2050 58.1703 32.0017 177.8613 96 V 4.3409 7.8491 110.9941 60.8366 33.7870 176.0846 97 I 4.1146 7.0058 109.9236 60.7539 38.2068 175.2116 98 E 4.6363 9.1137 119.8426 56.6975 32.3205 176.9608 99 R 4.5950 7.7086 117.8211 54.2982 33.7363 175.3630 100 E 4.5910 8.9259 123.7815 55.6964 31.0956 177.2348 101 T 4.6915 7.7969 108.6128 58.9835 68.7684 173.2740 102 P 4.5513 0.0000 0.0000 66.1839 31.8677 178.7564 103 G 3.7873 8.1092 105.6227 47.7536 0.0000 175.5087 104 L 4.1966 7.8711 120.4828 57.6309 41.6564 179.2539 105 L 4.1836 7.7559 117.9079 57.5000 41.7186 178.7819 106 F 4.2499 8.5294 120.2608 60.5494 40.9930 177.3063 107 V 4.0123 8.3562 120.6337 63.1302 28.2108 175.4698 *110 Q 4.0993 7.9490 123.5527 55.6299 31.3649 176.9366 111 E 3.9993 8.1151 116.9656 59.5934 29.5304 179.7454 112 S 4.2199 8.0445 113.2324 61.1033 61.6146 176.1549 113 L 4.2160 7.7139 122.3141 57.2731 41.0941 178.8633 114 K 3.9668 7.9174 116.9889 57.9762 32.0885 178.4611 115 I 4.1627 7.2922 119.7092 62.3968 38.4265 175.6936 116 T 4.6060 6.7018 111.2871 60.3240 70.4555 172.5096 117 P 4.2320 0.0000 0.0000 65.3406 31.4649 177.8113 118 F 4.0591 7.8664 115.2016 58.8192 39.4645 176.0448 119 A 4.2454 7.6916 126.6705 52.1281 16.2668 178.6807 *121 L 4.0819 7.5480 119.1210 53.8313 44.0552 178.0341 122 S 4.5453 8.1108 114.5386 58.3104 62.8079 174.2210 123 R 4.7455 8.7307 127.2190 55.6414 30.6775 176.5758 124 S 4.4467 7.9734 113.0533 59.0058 63.8477 173.9035 125 A 4.9704 8.3147 122.4443 50.5646 23.3123 174.4765 126 A 4.8730 7.5957 117.7799 51.3025 22.7437 176.4744 127 G 4.0153 8.1182 105.6456 47.4762 0.0000 171.6478 128 I 5.0693 8.1223 120.3508 59.5935 40.3583 175.5906 129 R 4.6439 8.7748 125.9180 54.5618 33.1606 175.1461 130 G 3.9745 9.4989 118.5781 47.1483 0.0000 174.0355 131 S 4.7504 8.8965 115.9394 57.8315 63.2821 173.0751 132 T 4.7416 7.8901 118.0818 62.5397 70.9952 173.2096 133 L 4.5355 8.6326 129.3948 54.4702 43.5195 175.2262 134 I 5.0607 8.8044 127.5013 59.6145 40.3401 174.7294 135 I 4.8067 8.4543 126.6693 59.7355 40.8343 175.3383 136 N 5.4984 8.6971 124.6983 51.0299 38.9486 172.7716 *138 P 4.2056 0.0000 0.0000 62.1670 32.4222 178.3967 139 G 3.9193 8.7859 110.2653 48.3304 0.0000 173.9416 140 N 4.4184 7.5682 116.6615 52.8062 39.0346 174.4091 141 P 4.3073 0.0000 0.0000 65.5278 31.8852 177.4740 142 N 4.5007 8.1521 114.5303 55.1223 39.3355 176.7884 143 A 4.1214 7.7706 120.7440 55.6328 18.1189 179.8679 144 V 3.5264 7.7943 114.0606 65.9113 31.6239 177.6943 145 A 4.1428 7.7356 119.4998 55.1216 18.6432 179.0244 146 E 4.1387 8.2490 117.1076 59.6210 29.5605 180.1566 147 C 4.3424 8.1660 113.9178 60.5734 27.8223 175.1998 *149 E 4.2185 8.1681 123.2685 56.1836 30.9748 177.3979 150 A 4.1710 7.7689 119.4803 54.7355 18.6620 179.0099 151 L 4.2235 7.8989 117.1075 57.1243 41.9032 178.7527 152 L 4.1049 8.0842 119.0474 57.9821 41.8332 176.9439 153 P 4.4363 0.0000 0.0000 64.3896 31.5619 176.4610 154 A 4.6826 8.5888 118.2368 50.5091 20.8577 177.5805 155 L 4.1042 7.9719 117.1214 57.7352 41.9527 178.4168 156 K 3.9086 8.0047 119.6008 59.7722 32.1846 177.8587 157 H 4.1922 8.2676 117.6212 59.1911 29.5585 176.8987 158 A 3.9007 8.0871 122.1378 55.3764 18.0128 179.4300 159 L 3.8721 7.8125 117.2651 57.2098 41.2746 179.7024 160 K 4.0784 7.7283 119.1912 59.7804 32.3210 178.5786 161 Q 4.0045 8.1190 119.5715 59.3619 28.6216 177.4659 *162 I 3.9579 7.0811 120.5211 59.9982 36.2949 178.4921 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 G 8.35 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 0.00 0.00 0.00 4 P 0.00 3.98 0.00 2.10 2.00 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 5 E 9.48 3.83 0.00 1.66 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 1.60 2.06 0.00 6 Y 7.56 4.98 0.00 3.15 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 7 K 9.73 4.50 0.00 1.79 1.69 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.38 7.81 8 V 8.63 4.87 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 0.98 0.00 0.00 0.95 0.00 0.00 9 A 8.94 4.88 0.20 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 0.00 0.00 10 I 8.55 4.99 1.90 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 1.12 0.72 1.02 0.00 0.00 11 L 9.09 5.27 0.00 1.90 1.64 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 12 T 9.35 4.81 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 1.23 0.00 0.00 13 V 8.59 4.64 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 0.76 0.00 0.00 0.93 0.00 0.00 14 S 8.93 5.12 0.00 3.93 3.72 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 15 D 8.88 4.41 0.00 2.72 2.73 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 16 T 7.81 3.83 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 17 V 7.96 3.76 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 1.01 0.00 0.00 0.95 0.00 0.00 18 S 8.18 4.08 0.00 3.81 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 19 A 7.76 4.34 1.33 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 20 G 8.23 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 21 A 7.78 3.95 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 22 G 7.13 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 23 P 0.00 4.65 0.00 2.18 2.08 0.00 3.74 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 1.91 1.93 0.00 24 D 8.38 4.79 0.00 2.72 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 25 R 8.52 4.48 0.00 1.90 1.93 0.00 3.16 0.00 0.00 3.39 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 26 S 8.25 4.53 0.00 4.05 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 0.00 27 G 9.47 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 28 P 0.00 4.40 0.00 2.28 2.33 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 29 R 7.56 3.91 0.00 1.88 2.02 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 30 A 8.22 3.96 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 31 V 8.09 3.51 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 0.98 0.00 0.00 0.96 0.00 0.00 32 S 7.92 4.17 0.00 3.96 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 33 V 7.93 3.58 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 0.86 0.00 0.00 0.98 0.00 0.00 34 V 8.03 3.71 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 0.98 0.00 0.00 0.97 0.00 0.00 35 D 8.10 4.37 0.00 2.77 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 36 S 8.29 4.30 0.00 3.84 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 37 S 8.44 4.65 0.00 4.02 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 38 S 7.76 4.07 0.00 4.01 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 39 E 8.34 3.92 0.00 2.08 1.86 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 2.39 2.41 0.00 40 K 8.03 3.67 0.00 1.78 1.91 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.57 7.81 41 L 8.20 4.47 0.00 1.84 1.79 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 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 43 G 10.51 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 44 A 8.57 5.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.54 0.00 1.79 1.58 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.37 7.81 46 V 7.74 4.42 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 0.80 0.00 0.00 0.91 0.00 0.00 47 V 8.28 4.42 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 0.72 0.00 0.00 0.83 0.00 0.00 48 A 7.28 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.43 5.31 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 1.21 0.00 0.00 50 A 9.21 4.86 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.32 4.91 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 0.88 0.00 0.00 0.97 0.00 0.00 52 V 8.47 4.69 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 0.67 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.71 0.00 2.10 2.08 0.00 3.72 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 1.96 1.98 0.00 54 D 9.41 4.74 0.00 2.53 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 55 E 8.07 4.59 0.00 1.95 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 2.28 2.31 0.00 56 V 8.83 3.61 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 0.88 0.00 0.00 0.91 0.00 0.00 57 E 8.09 4.15 0.00 1.94 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 2.38 2.33 0.00 58 R 7.91 3.85 0.00 1.89 1.92 0.00 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0.00 *138 P 0.00 4.21 0.00 2.22 2.03 0.00 3.63 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 2.03 2.11 0.00 139 G 8.79 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 0.00 140 N 7.57 4.42 0.00 2.77 2.76 0.00 0.00 6.84 7.91 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 0.00 141 P 0.00 4.31 0.00 2.04 2.12 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 142 N 8.15 4.50 0.00 2.75 2.86 0.00 0.00 7.01 7.32 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 0.00 143 A 7.77 4.12 1.39 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 0.00 0.00 0.00 144 V 7.79 3.53 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 0.90 0.00 0.00 0.95 0.00 0.00 145 A 7.74 4.14 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 0.00 146 E 8.25 4.14 0.00 2.17 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 0.00 2.34 2.45 0.00 147 C 8.17 4.34 0.00 2.96 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 *149 E 8.17 4.22 0.00 2.07 2.22 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 2.20 2.33 0.00 150 A 7.77 4.17 1.39 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 0.00 0.00 0.00 151 L 7.90 4.22 0.00 1.74 1.72 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.08 4.10 0.00 1.62 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.44 0.00 2.07 2.11 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 154 A 8.59 4.68 1.24 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 0.00 0.00 0.00 155 L 7.97 4.10 0.00 1.91 1.66 0.89 0.56 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 0.00 156 K 8.00 3.91 0.00 2.05 1.80 0.00 1.99 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.60 7.81 157 H 8.27 4.19 0.00 3.27 3.31 0.00 5.93 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.09 3.90 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 0.00 159 L 7.81 3.87 0.00 0.90 0.67 0.43 0.38 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 0.00 160 K 7.73 4.08 0.00 1.88 2.01 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.60 7.81 161 Q 8.12 4.00 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.32 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 *162 I 7.08 3.96 1.96 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 1.12 0.74 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.