NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 Q 4.2947 8.3293 121.7175 55.9124 31.3214 175.0627 28 S 4.8394 7.0677 108.8034 58.1885 63.7402 173.5238 29 L 4.8805 8.5217 119.7147 52.7452 46.6594 175.9569 30 P 4.7745 0.0000 0.0000 62.6309 32.3213 176.0026 31 K 5.0396 8.6973 121.8035 56.7626 35.2714 174.0919 32 F 5.0125 8.6303 115.3390 55.6103 41.1747 173.3003 33 E 4.8271 8.8830 121.1051 54.4774 32.6649 175.4938 34 I 4.3115 8.4008 123.2152 60.1068 39.2705 175.4208 35 H 4.5245 8.9323 125.7496 54.5079 29.6311 174.6857 36 D 4.8033 8.9523 125.5794 52.5779 42.5072 174.9890 37 V 4.9377 8.3418 125.0605 60.2580 33.4734 175.1889 38 R 4.6538 8.5119 125.5200 54.6023 32.5694 175.4445 39 D 4.4123 8.4830 117.1906 55.8609 41.2973 176.5391 40 D 4.6632 7.7729 119.3055 51.4877 40.6963 174.2760 41 P 4.1481 0.0000 0.0000 65.5340 31.1337 178.5962 42 A 4.1687 8.0371 120.2174 54.1065 18.4125 177.4941 43 E 4.5625 8.4386 113.7903 55.9569 30.3308 176.1597 44 G 4.3123 7.5028 107.5487 44.7563 0.0000 174.1673 45 T 4.2473 8.7883 112.8098 60.8851 71.3194 173.0986 *47 T 4.3442 8.4208 115.6084 63.3260 70.4105 172.8518 48 R 4.6765 9.0296 126.3405 54.2744 33.5085 174.1493 49 V 4.6682 7.9479 125.3937 61.1154 34.1245 174.0382 50 A 5.6126 8.7757 128.9359 50.6089 23.4700 174.6300 51 V 4.8676 8.7021 117.7645 60.6283 34.7559 174.1678 52 D 4.7424 9.5730 124.9964 52.9400 42.7893 177.3814 53 G 3.9705 8.2635 118.8644 47.0993 0.0000 173.2734 54 K 4.2490 8.8070 124.9296 55.8331 32.3863 174.8945 55 L 4.9165 8.0466 121.1351 52.8509 44.1718 175.6232 56 L 4.8344 8.4892 123.9894 53.9188 43.9063 175.8205 57 L 4.9837 9.1505 123.0797 53.2461 44.6754 175.3225 58 I 4.8915 8.3733 125.8601 59.7635 39.3593 175.3781 59 S 4.9089 8.7943 119.7765 57.5869 66.4581 172.9065 60 Q 4.4341 8.6287 121.8604 55.2467 32.5266 172.6800 61 Y 4.4575 8.2063 123.5088 55.8125 41.2171 174.6483 62 P 4.7299 0.0000 0.0000 62.3280 34.3260 173.8566 63 Q 4.9053 8.6926 120.8796 55.1502 31.0905 175.1974 64 L 4.3820 8.4942 129.6879 54.4470 41.9750 177.2487 65 G 3.8357 8.4790 117.1536 44.5004 0.0000 169.3701 66 P 4.2241 0.0000 0.0000 62.3968 31.8053 175.6599 67 R 4.1791 8.2142 119.7946 55.5024 30.3319 176.4802 68 K 4.1619 8.3116 125.0666 57.2686 32.5382 177.5717 69 V 4.3582 8.0476 109.7858 61.4335 34.2554 174.9752 70 D 4.7959 7.8387 121.0458 51.7069 41.4001 174.8114 71 P 4.3804 0.0000 0.0000 64.9929 31.5694 177.4865 72 N 4.4523 7.9317 113.8494 54.5707 39.0084 174.6383 73 D 4.4455 9.0380 118.0031 54.2794 39.8868 174.7377 74 L 4.4814 8.1597 127.8151 55.6616 40.9681 177.4518 75 S 4.4591 7.5458 114.7756 57.2591 64.1395 171.5625 76 P 4.3403 0.0000 0.0000 62.7556 31.7287 176.0011 77 Q 4.0415 8.4928 123.5945 56.9018 30.3486 174.8380 78 F 5.2072 7.6830 115.7496 55.4381 42.5349 174.9662 79 D 4.5977 8.8647 121.8601 52.8318 41.1602 176.5951 80 A 4.5721 8.5305 125.5464 52.8793 17.9043 177.4299 81 D 4.8921 8.9423 119.1446 55.5364 43.1378 177.3765 82 R 4.5383 7.5815 115.9043 55.5814 30.4534 176.4201 83 R 4.1637 7.7987 115.7958 56.5137 30.9793 175.3299 84 I 4.2695 9.1732 123.1776 59.7357 38.8472 174.5555 85 S 4.8698 8.1983 121.4194 56.4378 65.5411 173.7919 86 V 3.9165 8.3321 119.3528 60.0017 35.6289 173.6599 87 R 4.7857 8.4339 126.9035 55.1193 30.7660 175.6521 88 L 4.7813 8.5761 126.8381 53.3575 43.8930 176.7734 89 R 4.2463 9.0465 120.8945 55.6012 31.4816 177.9935 90 H 4.6310 8.5838 116.6312 58.5714 28.4247 178.0791 91 V 3.8495 8.0457 121.2643 63.9227 31.0478 178.0455 92 D 4.4051 7.9927 119.7789 57.5156 40.8344 177.8092 93 L 3.7801 7.7222 120.3750 58.2990 41.8196 179.1865 94 A 3.9575 7.5373 119.0795 55.4085 18.4913 179.0459 95 Y 3.9289 7.5875 115.2270 61.3146 37.6405 179.0795 96 L 3.6028 7.9006 119.1842 57.5312 41.9160 179.5248 97 V 3.7121 7.5298 116.8871 66.7210 31.2791 177.7411 98 G 3.7700 8.1426 103.3131 47.8533 0.0000 175.3647 99 V 4.5097 8.0743 120.4508 65.3859 31.6887 178.6284 100 C 4.5875 8.1147 114.4592 62.1241 26.8376 175.2405 101 K 4.4093 9.1558 119.1123 55.3648 31.8338 177.1155 102 E 4.0221 7.9616 117.6331 57.3352 27.2869 175.6984 103 R 4.2020 7.4614 118.5304 58.0101 30.7057 177.4559 104 V 4.5071 7.4581 111.6355 59.4331 35.6163 173.2064 105 P 4.3556 0.0000 0.0000 65.3079 31.4472 177.1032 106 R 4.8911 7.7075 112.1112 55.3897 32.3094 173.6800 107 H 4.9188 9.0468 123.7406 54.7253 31.6470 173.6336 108 R 5.2460 7.9626 124.2905 53.3218 33.6628 174.1663 *110 E 3.8910 8.5622 120.7209 56.3795 30.7096 175.7700 111 T 4.4274 7.4594 112.3748 60.5932 71.4366 173.2473 112 K 4.0149 8.7831 118.9556 59.6487 32.2029 177.7533 113 A 4.5784 7.5047 117.5633 52.1692 19.4785 175.4606 114 Y 4.8397 7.0822 113.0694 57.0372 41.3887 173.6744 115 T 4.2778 9.0279 116.3009 62.3362 71.7497 173.2368 116 L 5.5161 8.4867 125.5150 52.9454 46.3118 175.0874 117 D 5.0664 9.1474 118.7915 52.8709 45.7810 175.1742 118 F 5.2231 9.3310 123.0423 56.7740 42.4067 173.1435 119 E 5.0502 8.5991 124.2442 53.9955 33.0410 175.1761 120 K 4.3320 8.6320 122.0772 56.2691 33.2158 176.0061 121 S 4.6106 8.9847 120.2957 55.9165 65.3950 174.7302 122 A 4.0177 8.6061 127.8031 54.3802 18.3246 178.2274 123 Q 4.6371 9.1505 112.9114 54.8006 31.2430 176.1734 124 G 4.3905 6.1972 107.7949 46.2673 0.0000 172.3886 125 Y 5.0008 9.7456 123.2208 56.1812 42.3236 173.8171 126 H 5.0278 8.5103 119.8506 54.5909 33.4507 171.5919 127 L 5.2474 8.6873 128.3267 53.5974 44.5081 174.8191 128 H 4.9836 8.5352 120.7507 54.1361 32.4132 173.1885 129 G 4.6320 8.0498 104.8379 46.0590 0.0000 171.6532 130 K 5.1228 8.3846 122.0612 54.9898 35.2188 176.0560 131 V 5.1642 8.1373 119.1021 60.0580 35.2092 174.4587 132 H 4.8276 8.0669 115.0861 54.8082 30.8081 174.2283 133 R 4.2325 8.5980 121.3598 55.6547 30.7500 176.8349 134 V 3.5793 7.7281 113.2465 62.6341 32.2530 176.3015 135 A 3.6609 8.6952 124.2177 52.7329 15.4648 176.2406 136 S 4.6372 7.5925 112.9964 58.5806 65.8948 173.9015 137 Q 4.3799 8.2460 117.8055 56.5035 31.0009 175.1269 138 R 4.6019 7.8405 120.9584 55.1193 31.3535 174.6866 *140 E 4.2399 8.3986 112.5477 55.9986 31.5000 175.3483 141 D 4.6340 8.8002 121.7631 54.7621 41.3856 175.5687 142 W 5.2151 9.7796 133.8928 55.9923 34.9654 174.1247 143 S 4.2844 7.0982 116.1698 57.4946 64.3951 174.4939 144 V 4.0446 7.6109 127.7565 59.4472 34.0365 174.6240 145 K 4.9349 8.0053 122.5522 54.6199 35.2586 175.3123 146 F 4.8372 9.2713 123.6877 56.1386 41.9369 173.9733 147 D 5.2192 8.7547 122.6341 51.8787 45.1054 177.8790 148 N 4.1588 9.2412 116.6465 53.7245 39.1697 177.1408 149 H 4.2251 8.7859 124.6859 58.4876 28.5099 176.5789 150 F 5.2155 8.9315 120.7619 58.5566 39.1921 177.7946 151 A 4.3894 8.3801 120.5723 55.9227 18.4949 178.9306 152 V 3.5358 8.3922 115.9036 65.9889 31.3430 178.0924 153 T 3.7955 7.9911 107.4031 65.0153 69.0044 175.8514 154 L 3.6495 8.1664 124.0126 57.2163 41.8920 178.8233 155 E 3.8102 8.4880 119.0744 59.7348 29.4437 178.9641 156 H 4.0688 8.1144 115.7210 58.8480 28.7060 177.5122 157 F 4.0227 8.1252 122.3799 60.9561 39.2843 177.3495 158 L 3.9013 7.8801 118.5048 57.8306 41.5896 179.2457 159 E 3.9798 8.3788 118.3988 58.9420 29.3473 179.4594 160 S 4.1244 7.7300 114.7486 60.7202 63.1922 176.0779 161 A 3.6717 7.6974 123.6873 54.9931 17.8193 179.2794 162 L 3.6665 7.1617 118.0908 57.9328 42.2623 178.7414 163 D 4.6362 7.3852 116.5178 56.8673 41.0987 177.7460 164 E 4.4823 7.9367 117.0551 56.5711 29.4869 177.4621 165 S 4.4501 7.5245 114.4528 59.3689 63.0246 175.0461 166 F 4.8221 7.8799 120.3173 57.2360 39.6530 176.3825 167 G 3.9895 7.8009 106.0137 47.1412 0.0000 175.6515 168 F 3.9175 8.2842 119.9988 60.2517 38.8154 177.3458 169 R 3.9448 8.1053 117.7982 59.7279 29.7272 178.4509 170 Q 4.0546 8.0779 117.3098 59.0867 28.5815 177.8773 171 H 4.2410 8.2018 118.3537 59.5872 30.1066 176.4600 172 Y 4.2999 8.3836 115.4807 59.2660 38.0275 176.0135 173 A 4.3722 7.7140 126.5886 52.3416 18.7817 176.8692 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 27 Q 8.33 4.29 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.61 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 28 S 7.07 4.84 0.00 4.07 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 29 L 8.52 4.88 0.00 1.73 1.67 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.77 0.00 2.14 2.01 0.00 3.92 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 31 K 8.70 5.04 0.00 1.77 1.84 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.51 1.42 7.81 32 F 8.63 5.01 0.00 3.09 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 E 8.88 4.83 0.00 1.83 1.84 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 2.13 2.27 0.00 34 I 8.40 4.31 1.59 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.52 0.52 0.00 0.00 35 H 8.93 4.52 0.00 3.06 3.42 0.00 5.68 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.95 4.80 0.00 2.67 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 37 V 8.34 4.94 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 1.24 0.00 0.00 1.16 0.00 0.00 38 R 8.51 4.65 0.00 2.00 1.86 0.00 3.43 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 39 D 8.48 4.41 0.00 2.67 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 40 D 7.77 4.66 0.00 2.67 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 41 P 0.00 4.15 0.00 2.25 2.35 0.00 3.75 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.99 0.00 42 A 8.04 4.17 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 43 E 8.44 4.56 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 2.25 2.23 0.00 44 G 7.50 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 0.00 0.00 0.00 0.00 45 T 8.79 4.25 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 1.26 0.00 0.00 *47 T 8.42 4.34 4.04 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 1.23 0.00 0.00 48 R 9.03 4.68 0.00 1.74 1.69 0.00 3.13 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 49 V 7.95 4.67 1.53 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 0.95 0.00 0.00 0.60 0.00 0.00 50 A 8.78 5.61 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 51 V 8.70 4.87 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 0.57 0.00 0.00 0.95 0.00 0.00 52 D 9.57 4.74 0.00 2.71 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 53 G 8.26 3.97 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 0.00 0.00 0.00 54 K 8.81 4.25 0.00 1.85 1.84 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.41 7.81 55 L 8.05 4.92 0.00 1.63 1.53 0.90 0.65 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 56 L 8.49 4.83 0.00 1.62 1.60 0.96 0.90 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 57 L 9.15 4.98 0.00 1.51 1.52 0.92 0.60 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 58 I 8.37 4.89 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 1.06 0.00 0.00 59 S 8.79 4.91 0.00 3.36 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 60 Q 8.63 4.43 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 61 Y 8.21 4.46 0.00 2.89 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 62 P 0.00 4.73 0.00 2.16 2.08 0.00 3.85 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 63 Q 8.69 4.91 0.00 2.32 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.98 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 64 L 8.49 4.38 0.00 1.77 1.52 0.92 1.10 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 65 G 8.48 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 66 P 0.00 4.22 0.00 2.01 2.02 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 67 R 8.21 4.18 0.00 1.74 1.82 0.00 3.24 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 68 K 8.31 4.16 0.00 1.76 1.70 0.00 1.89 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.44 7.81 69 V 8.05 4.36 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 0.74 0.00 0.00 0.92 0.00 0.00 70 D 7.84 4.80 0.00 2.65 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 71 P 0.00 4.38 0.00 2.03 2.15 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 72 N 7.93 4.45 0.00 2.68 2.86 0.00 0.00 6.89 8.06 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 73 D 9.04 4.45 0.00 2.60 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 74 L 8.16 4.48 0.00 1.76 1.72 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 75 S 7.55 4.46 0.00 3.93 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 76 P 0.00 4.34 0.00 2.15 2.06 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 77 Q 8.49 4.04 0.00 1.95 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 1.76 1.16 0.00 78 F 7.68 5.21 0.00 2.84 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 79 D 8.86 4.60 0.00 2.82 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 80 A 8.53 4.57 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 81 D 8.94 4.89 0.00 2.72 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 82 R 7.58 4.54 0.00 1.84 1.95 0.00 3.19 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 83 R 7.80 4.16 0.00 1.49 2.33 0.00 2.90 0.00 0.00 3.61 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.61 0.00 84 I 9.17 4.27 1.29 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.22 -0.05 0.00 0.00 85 S 8.20 4.87 0.00 3.63 3.50 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 0.00 0.00 0.00 0.00 86 V 8.33 3.92 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 0.75 0.00 0.00 87 R 8.43 4.79 0.00 1.76 1.79 0.00 3.21 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 88 L 8.58 4.78 0.00 1.57 1.62 0.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 89 R 9.05 4.25 0.00 2.06 1.88 0.00 3.17 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 90 H 8.58 4.63 0.00 3.36 3.63 0.00 5.82 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.05 3.85 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 1.06 0.00 0.00 1.22 0.00 0.00 92 D 7.99 4.41 0.00 3.02 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 93 L 7.72 3.78 0.00 1.67 1.81 0.85 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.54 3.96 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 95 Y 7.59 3.93 0.00 2.81 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 96 L 7.90 3.60 0.00 1.49 1.08 0.73 0.23 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 97 V 7.53 3.71 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 0.96 0.00 0.00 0.87 0.00 0.00 98 G 8.14 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 0.00 0.00 0.00 99 V 8.07 4.51 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 1.82 0.00 0.00 1.23 0.00 0.00 100 C 8.11 4.59 0.00 3.18 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 0.00 101 K 9.16 4.41 0.00 1.74 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.68 7.81 102 E 7.96 4.02 0.00 2.18 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 2.29 2.30 0.00 103 R 7.46 4.20 0.00 1.94 1.99 0.00 3.14 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 104 V 7.46 4.51 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 0.94 0.00 0.00 1.13 0.00 0.00 105 P 0.00 4.36 0.00 2.09 2.16 0.00 3.77 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 2.07 2.12 0.00 106 R 7.71 4.89 0.00 1.85 1.93 0.00 3.06 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 107 H 9.05 4.92 0.00 3.33 3.34 0.00 5.72 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 0.00 108 R 7.96 5.25 0.00 1.86 1.67 0.00 3.11 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.39 0.00 *110 E 8.56 3.89 0.00 1.91 1.79 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 2.12 2.20 0.00 111 T 7.46 4.43 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 0.92 0.00 0.00 112 K 8.78 4.01 0.00 1.79 1.92 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.43 7.81 113 A 7.50 4.58 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 0.00 114 Y 7.08 4.84 0.00 3.12 2.91 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 0.00 115 T 9.03 4.28 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 1.20 0.00 0.00 116 L 8.49 5.52 0.00 1.78 1.81 1.16 1.35 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 0.00 117 D 9.15 5.07 0.00 2.37 2.46 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 0.00 118 F 9.33 5.22 0.00 3.19 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 0.00 119 E 8.60 5.05 0.00 2.10 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 2.17 2.19 0.00 120 K 8.63 4.33 0.00 1.88 1.76 0.00 1.36 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.36 7.81 121 S 8.98 4.61 0.00 3.68 3.53 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 0.00 122 A 8.61 4.02 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 0.00 123 Q 9.15 4.64 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 124 G 6.20 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 0.00 0.00 0.00 0.00 125 Y 9.75 5.00 0.00 3.03 2.42 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 0.00 126 H 8.51 5.03 0.00 3.08 3.02 0.00 5.54 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.69 5.25 0.00 2.05 1.59 1.34 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.54 4.98 0.00 3.32 3.03 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.05 4.63 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 0.00 130 K 8.38 5.12 0.00 1.75 1.76 0.00 1.64 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.58 1.50 7.81 131 V 8.14 5.16 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 0.55 0.00 0.00 0.30 0.00 0.00 132 H 8.07 4.83 0.00 3.00 3.23 0.00 5.72 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 0.00 133 R 8.60 4.23 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 134 V 7.73 3.58 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 0.59 0.00 0.00 0.97 0.00 0.00 135 A 8.70 3.66 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 0.00 136 S 7.59 4.64 0.00 3.77 3.97 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 0.00 137 Q 8.25 4.38 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.49 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 138 R 7.84 4.60 0.00 1.71 1.75 0.00 3.29 0.00 0.00 3.27 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 *140 E 8.40 4.24 0.00 2.15 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 2.27 2.44 0.00 141 D 8.80 4.63 0.00 2.63 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 0.00 142 W 9.78 5.22 0.00 3.24 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 0.00 143 S 7.10 4.28 0.00 3.65 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 0.00 144 V 7.61 4.04 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 0.42 0.00 0.00 0.36 0.00 0.00 145 K 8.01 4.93 0.00 1.62 1.52 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.66 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.55 7.81 146 F 9.27 4.84 0.00 3.23 3.19 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 0.00 147 D 8.75 5.22 0.00 2.71 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 0.00 148 N 9.24 4.16 0.00 2.84 2.53 0.00 0.00 7.18 7.88 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 0.00 149 H 8.79 4.23 0.00 3.15 3.45 0.00 5.44 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.93 5.22 0.00 3.40 3.34 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 0.00 151 A 8.38 4.39 1.60 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 0.00 0.00 152 V 8.39 3.54 2.30 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 1.21 0.00 0.00 0.99 0.00 0.00 153 T 7.99 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 1.24 0.00 0.00 154 L 8.17 3.65 0.00 1.55 1.87 0.61 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.49 3.81 0.00 2.16 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 2.41 2.67 0.00 156 H 8.11 4.07 0.00 3.31 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 8.13 4.02 0.00 2.88 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 0.00 158 L 7.88 3.90 0.00 1.78 1.56 0.68 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 0.00 159 E 8.38 3.98 0.00 2.01 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 2.28 2.28 0.00 160 S 7.73 4.12 0.00 3.93 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 0.00 161 A 7.70 3.67 1.08 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 0.00 162 L 7.16 3.67 0.00 1.55 1.63 0.75 0.99 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 0.00 163 D 7.39 4.64 0.00 2.77 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 0.00 164 E 7.94 4.48 0.00 1.99 1.93 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 2.29 2.38 0.00 165 S 7.52 4.45 0.00 3.77 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 0.00 166 F 7.88 4.82 0.00 3.36 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 0.00 167 G 7.80 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 0.00 0.00 0.00 168 F 8.28 3.92 0.00 3.04 2.91 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 0.00 169 R 8.11 3.94 0.00 2.03 1.97 0.00 3.20 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 170 Q 8.08 4.05 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.50 0.00 171 H 8.20 4.24 0.00 3.26 3.70 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.38 4.30 0.00 2.96 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 0.00 173 A 7.71 4.37 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 * Residues marked with a * may have inaccurate shift predictions.