NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.5460 8.0427 122.7542 54.9966 44.2028 174.8942 5 V 4.6404 8.9432 124.6727 60.7104 34.7392 172.5287 6 I 4.8012 8.6972 128.9033 59.4890 40.6138 173.5548 7 N 4.7954 8.8709 126.3783 52.8339 39.7188 175.8196 8 G 3.6478 8.5554 113.7757 48.8715 0.0000 174.5343 9 T 3.8750 7.8623 115.4749 61.7365 67.4092 171.5474 10 P 4.5499 0.0000 0.0000 63.1309 32.2568 175.8207 11 R 4.3714 7.6618 120.4299 54.8172 30.3320 177.4900 12 K 4.0571 8.8371 123.7612 58.7639 32.4899 176.9623 13 H 4.9982 7.8366 114.2170 54.7842 28.8003 173.8627 14 G 4.1899 7.6681 107.7800 44.9039 0.0000 175.3684 15 R 3.9575 8.3991 119.6301 59.2143 30.0574 179.6431 16 T 3.9202 7.8571 115.4458 66.3059 68.5121 176.5108 17 R 4.2148 7.5889 122.3268 58.8208 29.9707 178.5551 18 I 3.6920 7.7595 118.8087 64.5119 37.3729 177.8688 19 A 4.0329 7.7628 120.9643 55.2335 18.0517 179.5659 20 A 3.9382 8.1064 118.9915 55.5101 18.4662 180.0047 21 S 4.0782 8.1578 113.6381 62.3501 62.8716 175.6544 22 Y 4.1343 8.4955 122.1499 61.0944 38.3858 178.0039 23 I 3.5043 8.2312 119.3108 64.8328 37.4985 178.0777 24 A 4.5497 8.5698 122.2192 55.0196 18.1071 179.0069 25 A 4.0287 8.2027 119.5528 54.4968 18.4490 179.2850 26 L 3.8105 8.0837 120.1933 57.4042 42.5019 177.9134 27 Y 4.1831 8.0731 114.0085 56.8956 38.6974 174.5086 28 H 4.3176 8.0027 115.8177 56.8442 26.2904 173.3129 29 T 4.8049 8.6398 111.5847 59.1417 73.5237 173.6229 30 D 4.6814 8.6164 122.0038 54.3054 42.1223 174.3408 31 L 5.0624 8.5284 128.0612 53.6090 44.5423 176.0223 32 I 4.3515 8.5537 125.7387 59.3401 39.8945 173.3429 33 D 4.8761 8.4884 127.2160 53.4194 41.6624 176.3843 34 L 4.5869 8.1093 125.4193 56.0462 41.3527 178.9210 35 S 4.5017 9.0884 116.4836 60.3594 63.1927 174.7454 36 E 4.4942 8.1770 116.2244 57.5199 31.3593 176.5297 37 F 4.3162 8.6217 124.1116 56.9346 37.4987 172.8453 38 V 4.6066 7.7363 123.7311 60.4076 33.5844 174.5770 39 L 4.9237 8.3074 125.0061 51.8514 45.1480 174.2284 40 P 4.5177 0.0000 0.0000 62.0515 32.0710 176.3624 41 V 3.7814 8.4790 119.0010 62.9756 31.2162 175.1479 42 F 4.3834 8.3101 128.7589 58.1184 39.8335 174.9019 43 N 4.4630 8.6131 122.1382 51.4329 39.1435 174.1543 44 G 3.6871 6.5652 108.0566 45.7798 0.0000 172.2270 45 E 4.5597 7.8029 119.5458 55.1962 34.1824 175.7366 46 A 3.9139 8.7757 127.3939 55.5432 18.8735 178.9724 47 E 3.9352 8.3867 112.3862 59.5900 29.7734 178.4894 48 Q 4.0476 8.2834 120.8628 58.7882 29.1818 177.8324 49 S 4.3607 7.9974 108.7929 58.7337 62.4757 174.3618 50 E 4.7286 7.9189 119.6715 55.6626 31.1356 177.7635 51 L 4.6126 7.6301 122.3215 54.7311 41.9982 176.8733 52 L 4.3605 8.5301 123.6738 57.3004 42.6533 177.8693 53 K 3.5876 7.6241 119.4481 59.2816 32.3581 179.4108 54 V 3.4973 7.6916 118.6475 66.1892 31.4571 177.9890 55 Q 4.0853 7.9592 116.2648 58.7361 28.4703 177.7478 56 E 3.9573 7.6986 121.6873 58.9563 29.6860 178.3141 57 L 3.8903 8.4423 120.7380 58.3188 42.2984 179.0691 58 K 3.9099 8.0546 118.3090 59.8677 32.0010 178.9777 59 Q 3.9688 8.0244 118.3917 58.8086 28.5267 178.5870 60 R 3.9181 8.4900 119.2778 59.4105 29.9565 179.5505 61 V 3.4933 7.4086 117.1135 66.0715 31.7830 177.6407 62 T 3.9231 7.4505 109.2203 63.2328 67.1808 174.7694 63 K 4.2210 7.5509 119.2875 57.5949 33.5106 176.4871 64 A 4.1975 7.0012 121.2255 52.0296 19.0275 177.2039 65 D 4.4944 8.7477 121.3391 56.7006 41.3513 176.8485 66 A 5.0361 7.6565 117.5457 50.1746 22.6673 175.4265 67 I 4.7182 8.6804 120.1558 59.4687 41.4812 175.2238 68 V 4.1488 9.0242 125.9565 61.1514 33.4373 173.9853 69 L 4.7079 8.3396 131.3963 53.9856 43.4023 175.1250 70 L 5.7078 8.3942 126.3396 52.4030 45.0041 175.6553 71 S 4.8110 8.2028 115.9128 56.3806 65.9023 171.3828 72 P 4.9449 0.0000 0.0000 62.0802 32.8209 175.0006 73 E 4.3507 8.4505 122.9635 55.8232 30.4873 175.5850 74 Y 4.7026 9.0941 126.1499 57.2804 39.5532 175.7269 75 H 4.1428 9.1497 124.4282 57.6885 25.8152 175.0031 76 S 4.0902 8.1340 106.7272 59.0678 62.3385 173.5759 77 G 3.8864 7.4304 118.2254 44.4202 0.0000 177.2079 *79 S 4.2853 8.9311 120.0637 57.5067 64.9670 173.9448 80 G 3.8077 8.9226 111.5472 47.6612 0.0000 175.7002 81 A 4.0210 7.9271 122.6207 55.1600 18.5861 179.2421 82 L 3.8824 8.1227 119.2393 58.1442 42.1092 179.1243 83 K 3.8953 8.0761 119.7187 59.3020 31.8617 178.3401 84 N 4.2526 8.0490 116.8077 56.6699 38.6955 176.7982 85 A 4.2332 7.9740 122.0983 55.0236 17.9429 179.4869 86 L 4.0814 7.8677 117.2869 57.4369 41.4959 178.8853 87 D 4.1857 7.4463 117.7157 56.1657 40.7022 178.0467 88 F 4.5498 7.3027 118.1573 60.1660 39.4252 175.7404 89 L 4.5074 7.5022 116.7370 54.7118 43.6354 174.4324 90 S 4.6446 8.0976 111.8559 57.3846 66.0423 175.9225 91 S 4.5083 8.5465 115.6710 61.2868 62.0902 175.6340 92 E 4.2823 7.8286 120.7938 58.1351 29.4047 177.4499 93 Q 4.4855 8.1464 114.9291 55.4815 30.4459 176.2215 94 F 4.9371 7.5290 117.7136 56.8098 41.0484 174.5864 95 K 4.4825 8.1250 118.6650 57.0214 31.6844 175.0905 96 Y 3.6749 8.5337 122.5429 58.4584 36.8684 169.9476 97 K 4.3262 8.9535 124.2212 55.2942 33.5871 174.4289 98 P 4.8615 0.0000 0.0000 63.1640 32.4329 175.4753 99 V 5.0160 9.0254 123.5134 61.0198 35.7702 174.0192 100 A 4.8332 8.4279 126.2106 50.0369 21.6624 175.4665 101 L 4.4788 8.4018 122.5494 54.9763 43.7680 176.4685 102 L 4.6859 8.5241 123.6859 54.2419 45.5256 173.9816 103 A 5.2668 8.8977 128.3729 50.0900 22.5441 175.0888 104 V 4.7053 8.4962 120.0551 61.2503 33.8074 174.6268 105 A 5.0046 8.6199 129.0650 49.2962 22.9124 175.4616 106 G 3.6526 8.5104 105.5044 46.1900 0.0000 175.4681 107 G 4.2391 8.2236 110.5860 45.0824 0.0000 174.4423 108 G 3.9092 8.3638 107.1460 46.9278 0.0000 175.0235 109 K 4.2936 8.6434 121.4886 56.2449 32.8651 177.1100 110 G 3.7708 7.2509 107.2135 46.4676 0.0000 172.6790 111 G 4.2401 9.6895 112.5912 46.4879 0.0000 176.6706 112 I 3.6418 8.1196 121.2054 64.2541 37.0510 178.1662 113 N 4.2979 8.1531 116.3903 56.0410 38.1433 177.2757 114 A 3.9320 8.0179 121.1005 54.9913 18.6726 179.1603 115 L 4.0242 7.8015 116.3778 58.1788 42.0664 179.1770 116 N 4.4561 8.3195 116.4944 56.1797 38.3558 177.0778 117 N 4.2424 7.8453 114.3755 54.7008 38.5843 176.1117 *119 R 4.1096 7.7894 119.0777 56.3715 31.7294 176.7275 120 T 3.9198 8.1332 113.2448 66.7415 68.6861 176.0466 121 V 3.7034 7.7941 119.4654 63.2836 31.2343 177.4909 *123 R 4.1261 8.1267 120.6675 55.5845 31.6010 177.6307 124 G 3.6073 7.8127 106.2111 48.1184 0.0000 174.2938 125 V 4.1226 7.6330 112.1879 61.1732 31.9924 175.9249 126 Y 3.0853 7.9977 117.7702 58.0949 37.7440 169.5226 127 A 4.7312 7.7164 119.4993 52.1603 19.8258 177.5866 128 N 4.7188 8.9041 116.6510 51.7507 40.0649 172.1915 129 V 4.2975 7.9434 123.9699 61.6863 32.3437 175.3601 130 I 3.2755 8.0633 122.4288 60.0673 37.8016 174.2859 131 P 4.2282 0.0000 0.0000 65.5639 31.3011 177.0209 132 K 3.9729 7.6514 118.7094 56.6570 32.3007 175.6939 133 Q 4.8005 8.3422 123.1603 54.4254 32.0688 173.9206 134 L 4.8783 8.3696 121.5053 53.3375 46.2355 175.1474 135 V 4.9162 8.2431 122.2988 61.0889 34.6158 174.3381 136 L 4.6356 8.9393 128.2473 53.2844 43.8068 176.2211 137 D 5.3222 8.6860 123.7548 51.5809 42.9709 175.8564 138 P 4.2235 0.0000 0.0000 65.7913 31.3672 179.4727 139 V 3.5792 7.7146 116.2082 64.1939 31.5011 176.3111 140 H 4.6623 8.4628 117.1491 55.6680 29.1546 174.3042 141 I 4.6439 7.6635 121.2478 59.5225 39.5652 175.7985 142 D 4.6425 8.5625 126.4764 52.2238 39.5260 176.6442 143 V 3.6795 7.9270 123.2822 64.9126 32.2473 176.9724 144 E 4.1270 7.9938 119.1794 58.8453 29.3912 178.2150 145 N 4.8075 8.0402 113.7150 53.6089 38.2737 174.2537 146 A 3.7869 8.1455 117.4070 53.6159 16.2680 176.6459 147 T 4.7475 7.6537 116.0368 60.4825 71.9184 174.2140 148 V 3.9640 8.0352 119.3124 60.9575 32.5038 176.0468 149 A 4.0279 8.5924 126.6725 51.9099 19.1297 178.2483 150 E 3.8449 9.1955 122.1229 59.8288 29.4146 179.6385 151 N 4.3361 8.2132 114.6551 55.3899 37.2658 175.4852 152 I 4.2698 7.8608 119.4425 61.3062 39.5080 176.9081 153 K 3.9124 7.9556 119.6354 59.7862 31.3053 178.4802 154 E 3.9617 8.1303 118.8053 59.4761 29.6081 178.5391 155 S 4.1360 8.0295 115.0970 61.9005 62.9401 176.5306 156 I 3.6794 7.8737 121.6290 64.7690 36.7553 177.6788 157 K 4.2993 8.3618 121.3038 59.2040 32.0301 178.5482 158 E 4.0803 8.1648 116.7457 58.5767 29.4831 178.8674 159 L 3.8601 7.6884 121.9141 58.3504 42.3097 178.9664 160 V 3.4542 7.6487 118.1977 65.7196 31.1061 177.6364 161 E 3.9955 8.2492 118.9067 59.3369 29.6262 178.2178 162 E 4.1711 8.3770 118.5927 58.7943 29.9189 178.2018 163 L 4.1661 8.0663 121.1043 57.8850 42.3735 181.4672 164 S 4.1176 8.1135 115.8345 58.2249 62.5619 176.1288 *166 F 4.3791 8.1901 122.2738 58.6442 41.0308 177.6023 167 A 4.1357 8.1174 122.8084 55.2462 18.3083 179.0147 168 K 4.0966 8.1706 113.9601 59.3352 32.4320 178.5238 169 A 4.0989 8.2942 120.9867 54.5966 18.3736 177.3642 170 G 3.7399 7.6370 106.3889 45.7593 0.0000 172.3385 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 L 8.04 4.55 0.00 1.77 1.59 0.99 0.47 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 5 V 8.94 4.64 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 1.01 0.00 0.00 0.89 0.00 0.00 6 I 8.70 4.80 1.85 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 1.05 0.66 0.86 0.00 0.00 7 N 8.87 4.80 0.00 2.86 2.67 0.00 0.00 6.69 7.72 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 8 G 8.56 3.65 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 0.00 0.00 0.00 9 T 7.86 3.87 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 1.24 0.00 0.00 10 P 0.00 4.55 0.00 2.28 2.20 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 11 R 7.66 4.37 0.00 1.77 1.66 0.00 3.25 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 12 K 8.84 4.06 0.00 1.82 1.94 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.49 7.81 13 H 7.84 5.00 0.00 3.22 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.67 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 0.00 0.00 0.00 0.00 15 R 8.40 3.96 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 16 T 7.86 3.92 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 1.17 0.00 0.00 17 R 7.59 4.21 0.00 1.84 2.10 0.00 3.30 0.00 0.00 3.42 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 18 I 7.76 3.69 2.06 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 1.60 0.72 0.94 0.00 0.00 19 A 7.76 4.03 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 A 8.11 3.94 1.40 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 21 S 8.16 4.08 0.00 4.11 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 22 Y 8.50 4.13 0.00 3.05 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 23 I 8.23 3.50 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 1.49 1.07 0.75 0.00 0.00 24 A 8.57 4.55 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 25 A 8.20 4.03 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 26 L 8.08 3.81 0.00 1.09 1.39 0.71 0.61 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 27 Y 8.07 4.18 0.00 3.17 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 28 H 8.00 4.32 0.00 3.22 3.28 0.00 5.60 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 29 T 8.64 4.80 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 1.27 0.00 0.00 30 D 8.62 4.68 0.00 2.83 2.59 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 31 L 8.53 5.06 0.00 1.66 1.52 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.55 4.35 1.69 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.78 0.26 0.00 0.00 33 D 8.49 4.88 0.00 2.77 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 34 L 8.11 4.59 0.00 2.00 1.74 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.09 4.50 0.00 3.97 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 36 E 8.18 4.49 0.00 2.09 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 0.00 2.24 2.52 0.00 37 F 8.62 4.32 0.00 3.18 3.06 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 V 7.74 4.61 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 0.96 0.00 0.00 1.08 0.00 0.00 39 L 8.31 4.92 0.00 2.02 1.71 1.29 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.52 0.00 2.30 2.12 0.00 3.86 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 2.24 2.00 0.00 41 V 8.48 3.78 2.13 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 0.94 0.00 0.00 0.98 0.00 0.00 42 F 8.31 4.38 0.00 1.91 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 43 N 8.61 4.46 0.00 2.63 2.71 0.00 0.00 6.95 7.57 0.00 0.00 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 G 6.57 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 45 E 7.80 4.56 0.00 2.14 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 0.00 2.28 2.26 0.00 46 A 8.78 3.91 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 47 E 8.39 3.94 0.00 2.08 2.13 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 0.00 2.29 2.28 0.00 48 Q 8.28 4.05 0.00 2.16 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 49 S 8.00 4.36 0.00 4.08 4.03 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 50 E 7.92 4.73 0.00 1.88 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 2.21 2.30 0.00 51 L 7.63 4.61 0.00 1.69 1.06 0.97 0.96 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 52 L 8.53 4.36 0.00 1.56 1.46 0.87 0.84 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 53 K 7.62 3.59 0.00 1.58 1.48 0.00 1.28 0.00 0.00 1.48 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.54 0.21 7.81 54 V 7.69 3.50 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 0.86 0.00 0.00 0.38 0.00 0.00 55 Q 7.96 4.09 0.00 2.28 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 56 E 7.70 3.96 0.00 1.96 2.31 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 2.59 2.44 0.00 57 L 8.44 3.89 0.00 2.09 1.94 0.72 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.05 3.91 0.00 1.97 1.83 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.81 7.81 59 Q 8.02 3.97 0.00 2.36 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 60 R 8.49 3.92 0.00 1.77 2.10 0.00 3.34 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 61 V 7.41 3.49 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 0.03 0.00 0.00 0.83 0.00 0.00 62 T 7.45 3.92 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 1.23 0.00 0.00 63 K 7.55 4.22 0.00 1.89 1.93 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.56 7.81 64 A 7.00 4.20 1.31 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 65 D 8.75 4.49 0.00 2.70 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 66 A 7.66 5.04 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 67 I 8.68 4.72 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.10 1.02 0.00 0.00 68 V 9.02 4.15 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 0.87 0.00 0.00 0.85 0.00 0.00 69 L 8.34 4.71 0.00 1.74 1.47 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.39 5.71 0.00 1.79 1.47 0.97 0.50 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 71 S 8.20 4.81 0.00 3.74 3.52 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 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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 82 L 8.12 3.88 0.00 1.68 1.73 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.08 3.90 0.00 1.88 1.75 0.00 1.49 0.00 0.00 1.50 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.59 7.81 84 N 8.05 4.25 0.00 2.91 2.96 0.00 0.00 7.09 7.50 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 85 A 7.97 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.87 4.08 0.00 1.81 1.64 0.80 1.02 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 87 D 7.45 4.19 0.00 2.28 1.83 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 88 F 7.30 4.55 0.00 3.24 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 89 L 7.50 4.51 0.00 1.91 1.76 1.07 0.86 0.00 0.00 0.00 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0.00 0.00 1.45 1.40 7.81 133 Q 8.34 4.80 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.56 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 134 L 8.37 4.88 0.00 1.66 1.44 0.87 0.79 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 0.00 135 V 8.24 4.92 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 0.91 0.00 0.00 0.90 0.00 0.00 136 L 8.94 4.64 0.00 1.58 1.55 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.69 5.32 0.00 2.61 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 0.00 138 P 0.00 4.22 0.00 2.16 2.11 0.00 3.60 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 139 V 7.71 3.58 2.01 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 0.48 0.00 0.00 0.84 0.00 0.00 140 H 8.46 4.66 0.00 3.36 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.66 4.64 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.90 0.00 0.00 142 D 8.56 4.64 0.00 2.61 2.66 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 0.00 0.00 0.00 143 V 7.93 3.68 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 0.83 0.00 0.00 0.94 0.00 0.00 144 E 7.99 4.13 0.00 2.00 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 2.32 2.30 0.00 145 N 8.04 4.81 0.00 2.84 2.85 0.00 0.00 6.21 7.26 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 0.00 146 A 8.15 3.79 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 0.00 147 T 7.65 4.75 4.28 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 1.24 0.00 0.00 148 V 8.04 3.96 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 0.47 0.00 0.00 -0.36 0.00 0.00 149 A 8.59 4.03 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 0.00 150 E 9.20 3.84 0.00 1.98 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 2.40 2.35 0.00 151 N 8.21 4.34 0.00 2.88 2.98 0.00 0.00 5.79 7.81 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 0.00 152 I 7.86 4.27 1.90 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.90 0.00 0.00 153 K 7.96 3.91 0.00 1.90 2.01 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.52 7.81 154 E 8.13 3.96 0.00 2.10 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 2.39 2.63 0.00 155 S 8.03 4.14 0.00 3.98 3.87 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 0.00 156 I 7.87 3.68 2.02 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 1.53 0.71 0.98 0.00 0.00 157 K 8.36 4.30 0.00 2.14 2.08 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.71 1.46 7.81 158 E 8.16 4.08 0.00 2.29 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 0.00 2.63 2.33 0.00 159 L 7.69 3.86 0.00 1.72 1.86 0.88 1.22 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 0.00 160 V 7.65 3.45 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 0.47 0.00 0.00 0.52 0.00 0.00 161 E 8.25 4.00 0.00 2.29 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 0.00 2.38 2.39 0.00 162 E 8.38 4.17 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 2.57 2.51 0.00 163 L 8.07 4.17 0.00 1.87 1.79 0.90 0.74 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 0.00 164 S 8.11 4.12 0.00 4.15 4.14 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 *166 F 8.19 4.38 0.00 3.36 3.22 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 0.00 167 A 8.12 4.14 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 0.00 168 K 8.17 4.10 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 169 A 8.29 4.10 1.17 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 0.00 0.00 170 G 7.64 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.