NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 I 4.3455 8.0249 121.3934 61.4047 38.6992 174.4966 19 C 4.1183 8.6190 125.7669 57.6667 29.7941 171.0123 20 Q 4.8036 8.7129 125.2081 54.2226 31.5871 173.9623 21 F 5.2183 9.0670 123.9995 55.6651 43.9798 173.3779 22 K 5.0817 9.4677 122.1438 55.0600 34.1666 174.9296 23 L 5.2924 9.1150 128.3782 53.3440 45.7138 174.9282 24 V 5.0937 8.6624 125.4443 61.2198 34.2968 173.9353 25 L 5.0844 9.1394 127.7723 53.3829 43.5799 175.6672 26 L 4.5630 9.9095 123.2583 52.5117 45.7443 175.0561 27 G 4.1373 6.8612 104.8601 43.3726 0.0000 173.1224 28 E 4.2449 8.6401 121.9145 55.9064 30.1931 176.4138 29 S 4.1955 8.5634 118.5558 60.2142 62.7243 174.1981 30 A 3.9370 8.8686 128.4272 52.4102 15.9016 179.2133 31 V 3.7417 7.3953 110.9296 63.3324 31.9080 176.9075 32 G 4.1644 8.5998 109.0322 45.6879 0.0000 175.7883 33 K 3.9030 8.6106 121.3625 59.4873 31.9255 179.2177 34 S 4.2567 8.0137 114.5796 61.8106 62.8152 176.6606 35 S 4.2200 8.1626 117.3213 61.7200 62.6326 176.7401 36 L 4.0779 8.3528 121.8501 57.7565 41.3388 179.7301 37 V 3.7701 7.9169 118.1732 66.1407 31.4525 178.0485 38 L 4.0400 8.3006 119.0212 57.7733 41.5605 179.5347 39 R 4.1774 8.3371 120.1790 58.8809 29.8358 178.4373 40 F 4.2678 8.1390 119.3479 61.1835 39.4546 177.0527 41 V 3.3924 7.9482 116.9453 65.3602 31.6136 176.9420 42 K 4.1733 8.2820 115.7182 56.3132 32.8031 177.8036 43 G 3.9704 8.2778 106.5228 44.9537 0.0000 172.6881 44 Q 4.7555 7.6872 117.1796 53.8811 32.5127 173.8172 45 F 4.8582 8.3082 119.7796 56.9208 42.3899 173.2385 46 H 4.5850 7.8371 123.5222 53.5205 31.3551 172.8405 47 E 3.4317 8.3166 125.2527 56.9954 30.0478 175.5170 48 Y 3.7482 7.9751 119.4384 58.9724 35.5170 170.3337 49 Q 4.1911 7.1988 118.0110 55.1364 29.3680 175.8662 50 E 3.9865 8.5666 120.5471 57.0665 30.0386 178.3362 51 S 4.4930 8.3889 122.4202 57.0160 61.1387 172.9453 52 T 4.3820 7.3938 115.2801 61.3049 68.7558 173.0181 53 I 4.0865 8.2502 118.0726 60.2711 38.3184 176.7839 54 G 3.9749 8.7525 108.6743 45.9778 0.0000 173.3109 55 A 4.4018 7.2315 119.1034 50.3551 22.3488 177.4003 56 A 3.8973 8.2787 124.5141 55.0898 18.5860 177.7610 57 F 4.9634 6.5811 106.7258 56.1357 40.5798 173.6404 58 L 5.0853 8.9444 119.1608 53.3744 45.5703 175.6653 59 T 5.7757 8.3831 116.6474 61.5130 71.6129 173.1732 60 Q 4.5389 8.5485 123.7805 55.3306 32.6297 172.8089 61 S 5.4162 8.4701 118.5480 56.7443 66.7627 173.4706 62 V 4.6242 8.8897 120.4097 61.5789 34.7991 174.0820 63 C 4.8671 8.8499 124.9220 58.7386 29.4890 172.9973 64 L 4.4353 8.4951 123.0599 56.2146 43.6888 177.1137 *68 T 4.2863 7.5367 114.0513 63.3285 70.3280 173.1086 69 V 4.7401 8.8013 126.5479 60.9756 33.9231 173.9438 70 K 4.8816 8.9791 129.8560 54.6855 34.5674 174.4741 71 F 5.4818 9.3302 126.6082 55.9231 41.6524 174.2870 72 E 5.0418 9.5411 125.6276 55.1164 31.0385 174.4561 73 I 5.1665 9.3857 129.3736 59.6286 39.7537 174.7518 74 W 5.2215 9.6769 128.0554 55.2166 31.0340 174.9688 75 D 5.3017 9.0562 124.6092 53.0648 42.5713 175.9377 76 T 4.4254 7.9628 112.4219 60.9241 69.3325 173.7250 77 A 4.7406 7.5017 125.4482 53.7305 18.5424 178.5820 78 G 4.0820 9.5050 112.3416 45.3453 0.0000 173.9576 79 Q 4.8885 8.2828 116.9569 55.4272 30.4601 177.0227 80 E 4.0431 8.3443 119.5429 59.5386 29.6487 179.2852 81 R 3.7550 7.7787 117.2708 58.5653 30.5989 176.4033 82 Y 4.5932 7.4835 117.7656 56.6256 36.5707 175.8210 83 H 4.3014 8.0464 120.6573 58.2608 29.4747 177.5030 84 S 4.4592 8.0864 111.8759 59.4251 63.2659 175.3621 85 L 4.2820 8.2529 121.7197 56.2168 41.4318 178.2985 86 A 3.2297 7.7834 122.0259 54.8113 18.2078 177.5401 87 P 4.2183 0.0000 0.0000 66.1348 31.1457 178.5051 88 M 4.0288 7.9092 114.9045 59.0356 32.4622 177.4425 89 Y 3.9632 7.8712 115.4361 61.0886 38.3497 177.6153 90 Y 4.6253 8.4525 117.3556 58.6467 38.1525 175.7272 91 R 4.0666 7.3425 120.7930 57.3559 30.4604 176.4323 92 G 3.7796 8.8455 112.1317 45.8711 0.0000 172.6400 93 A 4.4181 7.7217 122.7564 51.4243 19.5197 178.0032 94 Q 4.5944 8.9828 120.8572 56.2478 30.9613 175.2616 95 A 5.2053 7.7679 119.1928 50.5880 23.2426 174.6720 96 A 5.1174 8.9153 119.8414 50.5788 23.5097 175.4263 97 I 4.7392 8.5981 121.5707 59.4863 40.1520 174.8010 98 V 4.5473 8.7956 128.3316 61.5846 32.7716 174.6119 99 V 4.9946 8.8617 128.6147 61.3588 34.1515 173.8818 100 Y 4.9824 8.7232 124.4179 55.3756 42.5118 173.0486 101 D 5.3120 9.0115 119.0134 52.2793 42.9645 177.0536 102 I 4.0920 8.6955 120.3859 63.2585 37.7857 177.3182 103 T 4.4633 8.1294 109.6582 61.1735 69.2043 174.2995 104 N 4.8107 8.3687 121.1807 51.0364 40.5223 174.0161 105 Q 4.0348 8.8253 127.5980 59.3048 29.0785 177.5641 106 E 3.9982 8.1945 120.5898 59.5035 29.6179 178.9300 107 T 4.1440 8.1269 109.8356 64.3490 69.0335 176.6967 108 F 3.9320 8.1476 123.1262 60.9364 38.9782 176.5469 109 A 3.6364 7.8518 120.4468 55.3536 18.1443 179.5847 110 R 3.7240 8.2823 116.4699 59.5415 30.1079 178.9177 111 A 4.3528 8.1882 120.2439 55.4625 18.2695 179.8262 112 K 4.1325 7.8068 117.9246 59.1343 31.9888 179.6161 113 T 3.7208 7.3406 109.2210 64.5895 68.4572 176.6660 114 W 4.2020 7.9762 121.3377 59.1432 29.1536 178.5222 115 V 3.6439 8.3209 118.7596 66.1427 30.8794 177.9940 116 K 4.1202 8.1494 119.3523 58.8979 31.9607 178.7377 117 E 3.9682 8.2582 119.2423 59.3756 29.4840 178.8244 118 L 3.7395 8.3617 119.2952 57.9182 41.6774 179.5390 119 Q 3.9473 8.1812 117.8917 58.9824 28.4081 178.9434 120 R 4.2299 8.1498 117.9623 57.8667 30.3562 177.4083 121 Q 4.4725 8.0816 115.2103 56.1273 31.2502 175.6560 122 A 4.4837 7.7741 120.2840 50.6287 20.0669 176.8396 123 S 4.3016 8.2802 114.5594 58.2197 63.2627 174.5102 124 P 4.2941 0.0000 0.0000 65.2586 31.2007 177.4919 125 S 4.3854 7.8808 110.3861 58.4718 63.5904 174.0621 126 I 3.8535 7.4578 122.7549 61.5675 38.5457 175.1535 127 V 4.0652 8.6034 129.4550 61.9750 33.0073 174.3965 128 I 4.8870 8.3128 128.3948 59.4859 39.6637 174.4126 129 A 5.1226 8.9947 128.5480 49.9523 22.5926 174.4613 130 L 5.2297 9.1539 122.8098 53.2883 44.7002 174.9185 131 A 4.9767 9.2038 128.5902 50.1622 21.7108 175.5331 132 G 3.1257 8.7818 111.5145 45.1791 0.0000 172.6681 133 N 5.0467 8.4778 126.6469 51.4349 41.5751 174.6193 134 K 4.1014 8.7728 116.4088 57.1391 29.1878 178.0952 135 A 4.1706 7.9198 123.3786 54.3809 18.0327 179.6602 136 D 4.4652 8.0795 115.2855 55.4185 39.7394 177.1705 137 L 4.3962 8.0026 120.8499 54.0647 42.4192 178.4060 138 A 4.0167 8.2094 124.4830 55.2190 18.5364 180.5273 139 N 4.3627 8.2112 112.3453 55.6246 37.4856 175.7746 140 K 4.4312 8.1796 117.4100 55.8230 32.2177 176.0288 141 R 4.1858 7.6990 120.4494 57.1652 30.1177 176.2076 142 M 4.6318 9.1322 123.3432 54.5777 34.0471 175.5100 143 V 4.1254 7.5852 118.6461 60.5894 33.2613 175.3799 144 E 4.1794 8.3695 127.3906 56.0346 31.0864 176.9293 145 Y 4.0471 8.8062 124.1356 61.2670 38.8799 178.6578 146 E 4.1103 8.3155 118.7388 59.0289 29.6042 178.8273 147 E 3.8492 7.9610 118.9017 59.2748 29.7866 178.5947 148 A 3.8528 7.5494 120.7850 54.8295 18.2778 179.3461 149 Q 3.4601 7.8301 118.1384 59.1803 29.0983 178.2705 150 A 3.9925 7.9831 121.7412 55.4071 18.1587 179.0107 151 Y 3.9237 8.0098 117.6435 60.6585 38.8313 178.0000 152 A 3.7409 8.1743 122.0262 55.1726 18.5415 179.2270 153 D 4.2466 8.3796 117.7079 57.7901 40.7580 178.9363 154 D 4.4543 8.1316 117.7493 56.2609 40.7074 177.0622 155 N 4.7009 6.9662 114.6959 52.0587 39.1101 174.4620 156 S 3.6780 7.4742 112.2364 59.7133 61.0237 172.0975 157 L 4.8975 7.6616 118.2046 52.8653 43.8663 177.5298 158 L 4.3055 8.3144 122.1614 54.9887 43.0052 176.0264 159 F 5.8413 8.4039 123.4464 56.5187 42.4527 173.3810 160 M 4.2729 7.9667 123.6416 53.4564 36.6933 173.8153 161 E 4.7314 8.2585 120.9175 56.0416 30.5726 175.8846 162 T 4.8512 8.8211 112.9615 60.0628 73.2955 173.0034 163 S 4.5981 8.8560 116.2205 56.5136 64.5729 174.3000 164 A 3.9692 8.6026 131.9573 55.0763 18.5010 178.5717 165 K 2.0000 7.5813 116.0492 58.4490 32.1852 177.4680 166 T 4.0981 7.5552 105.8832 60.8752 69.8607 175.3039 167 A 3.7487 8.0393 124.9175 51.7644 17.7981 177.0295 168 M 4.0277 7.5257 115.9004 57.1113 32.4773 176.6258 169 N 4.4272 9.0479 121.7153 54.1045 36.7267 176.4077 170 V 3.5770 7.9266 118.8619 66.2849 31.6930 177.6394 171 N 4.6064 8.2865 115.6823 56.6832 38.4988 177.0210 172 D 4.4635 8.1087 119.5306 56.6819 40.9378 178.4600 173 L 3.7980 7.8966 121.3604 58.1976 42.0615 179.0057 174 F 3.6389 7.6452 117.5571 60.0963 38.6527 177.4587 175 L 4.0841 8.2891 119.9455 58.1855 41.7174 178.8655 176 A 4.0269 7.8828 119.5185 55.2015 18.5673 179.4278 177 I 3.7479 7.7834 118.1102 64.4357 37.0354 178.3670 178 A 4.1636 8.4537 121.7669 55.4102 18.0025 179.9028 179 K 3.9837 8.1255 115.7467 59.1207 32.1635 179.1016 180 K 4.2223 7.7100 117.2461 56.8918 32.4348 177.3015 181 L 4.1019 6.7459 119.1726 53.1773 42.2562 174.8809 182 P 4.5243 0.0000 0.0000 62.6324 32.2411 176.6270 183 K 4.2657 8.4930 118.1840 56.7302 32.3440 176.2721 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 18 I 8.02 4.35 1.81 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 1.31 1.03 0.89 0.00 0.00 19 C 8.62 4.12 0.00 2.77 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 0.00 0.00 0.00 20 Q 8.71 4.80 0.00 1.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 21 F 9.07 5.22 0.00 3.02 2.98 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 K 9.47 5.08 0.00 1.71 1.78 0.00 0.81 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.92 7.81 23 L 9.12 5.29 0.00 1.92 1.61 0.44 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.66 5.09 2.21 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 1.32 0.00 0.00 1.08 0.00 0.00 25 L 9.14 5.08 0.00 1.73 1.56 1.06 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.91 4.56 0.00 1.21 0.55 1.04 0.74 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 27 G 6.86 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 0.00 0.00 0.00 28 E 8.64 4.24 0.00 2.34 1.99 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 2.50 2.50 0.00 29 S 8.56 4.20 0.00 3.91 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 30 A 8.87 3.94 1.46 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 0.00 0.00 31 V 7.40 3.74 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 0.83 0.00 0.00 0.98 0.00 0.00 32 G 8.60 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 0.00 0.00 0.00 33 K 8.61 3.90 0.00 1.81 1.98 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.49 7.81 34 S 8.01 4.26 0.00 3.89 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 35 S 8.16 4.22 0.00 4.13 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 0.00 36 L 8.35 4.08 0.00 1.91 1.84 0.91 1.05 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 37 V 7.92 3.77 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 1.23 0.00 0.00 1.14 0.00 0.00 38 L 8.30 4.04 0.00 1.78 1.74 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.34 4.18 0.00 2.09 2.24 0.00 3.23 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 40 F 8.14 4.27 0.00 2.78 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 V 7.95 3.39 2.14 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 0.89 0.00 0.00 0.94 0.00 0.00 42 K 8.28 4.17 0.00 1.89 1.84 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.51 7.81 43 G 8.28 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 44 Q 7.69 4.76 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 45 F 8.31 4.86 0.00 2.91 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 46 H 7.84 4.58 0.00 3.06 3.04 0.00 5.87 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.32 3.43 0.00 1.84 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 1.47 1.80 0.00 48 Y 7.98 3.75 0.00 3.16 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 49 Q 7.20 4.19 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 50 E 8.57 3.99 0.00 1.90 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 2.30 2.42 0.00 51 S 8.39 4.49 0.00 3.93 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 52 T 7.39 4.38 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 53 I 8.25 4.09 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 1.05 0.00 0.00 54 G 8.75 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 55 A 7.23 4.40 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 56 A 8.28 3.90 0.79 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 0.00 0.00 57 F 6.58 4.96 0.00 3.08 2.45 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 58 L 8.94 5.09 0.00 1.71 1.62 0.95 0.78 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 59 T 8.38 5.78 4.33 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 1.30 0.00 0.00 60 Q 8.55 4.54 0.00 1.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.72 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.00 61 S 8.47 5.42 0.00 3.75 3.81 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 62 V 8.89 4.62 2.32 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 1.20 0.00 0.00 1.44 0.00 0.00 63 C 8.85 4.87 0.00 3.03 2.86 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 64 L 8.50 4.44 0.00 1.63 1.71 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 *68 T 7.54 4.29 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 1.20 0.00 0.00 69 V 8.80 4.74 2.04 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 0.75 0.00 0.00 1.01 0.00 0.00 70 K 8.98 4.88 0.00 1.73 1.51 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.39 7.81 71 F 9.33 5.48 0.00 3.25 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 72 E 9.54 5.04 0.00 2.04 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 2.15 2.07 0.00 73 I 9.39 5.17 2.19 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 1.16 0.00 0.00 74 W 9.68 5.22 0.00 3.35 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.06 5.30 0.00 2.79 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 76 T 7.96 4.43 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 1.05 0.00 0.00 77 A 7.50 4.74 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 G 9.50 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 79 Q 8.28 4.89 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 80 E 8.34 4.04 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.73 0.00 89 Y 7.87 3.96 0.00 2.82 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 90 Y 8.45 4.63 0.00 3.00 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 91 R 7.34 4.07 0.00 1.96 1.95 0.00 3.36 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 92 G 8.85 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 93 A 7.72 4.42 1.23 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 94 Q 8.98 4.59 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.54 2.40 0.00 95 A 7.77 5.21 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 96 A 8.92 5.12 1.10 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 0.00 0.00 97 I 8.60 4.74 1.72 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.32 0.74 0.00 0.00 98 V 8.80 4.55 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 1.15 0.00 0.00 0.99 0.00 0.00 99 V 8.86 4.99 2.04 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 0.93 0.00 0.00 0.92 0.00 0.00 100 Y 8.72 4.98 0.00 3.24 3.25 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 0.00 101 D 9.01 5.31 0.00 2.77 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 0.00 102 I 8.70 4.09 1.95 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 1.50 0.92 0.97 0.00 0.00 103 T 8.13 4.46 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 1.29 0.00 0.00 104 N 8.37 4.81 0.00 2.76 2.79 0.00 0.00 6.75 6.18 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 0.00 105 Q 8.83 4.03 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.43 2.00 0.00 106 E 8.19 4.00 0.00 2.02 2.20 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 2.32 2.48 0.00 107 T 8.13 4.14 4.44 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 1.37 0.00 0.00 108 F 8.15 3.93 0.00 2.65 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 0.00 109 A 7.85 3.64 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.28 3.72 0.00 2.13 2.19 0.00 3.15 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.12 0.00 111 A 8.19 4.35 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 0.00 112 K 7.81 4.13 0.00 1.68 1.64 0.00 1.13 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.39 7.81 113 T 7.34 3.72 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 1.02 0.00 0.00 114 W 7.98 4.20 0.00 3.69 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 0.00 115 V 8.32 3.64 2.38 0.00 0.00 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 0.00 0.00 1.15 0.00 0.00 116 K 8.15 4.12 0.00 2.06 1.84 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.43 7.81 117 E 8.26 3.97 0.00 2.16 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 0.00 2.67 2.50 0.00 118 L 8.36 3.74 0.00 1.82 1.53 0.86 0.18 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 0.00 119 Q 8.18 3.95 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 120 R 8.15 4.23 0.00 1.80 2.00 0.00 3.10 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 121 Q 8.08 4.47 0.00 2.40 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 122 A 7.77 4.48 0.96 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 0.00 0.00 123 S 8.28 4.30 0.00 3.88 3.79 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 0.00 124 P 0.00 4.29 0.00 2.02 2.10 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 125 S 7.88 4.39 0.00 3.95 3.95 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 0.00 126 I 7.46 3.85 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.84 0.84 0.00 0.00 127 V 8.60 4.07 1.99 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 0.89 0.00 0.00 0.84 0.00 0.00 128 I 8.31 4.89 1.82 0.00 0.00 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 1.19 0.95 0.89 0.00 0.00 129 A 8.99 5.12 1.05 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 0.00 0.00 130 L 9.15 5.23 0.00 1.90 1.94 1.26 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 131 A 9.20 4.98 1.10 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 0.00 0.00 132 G 8.78 3.13 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 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.48 5.05 0.00 2.71 2.80 0.00 0.00 7.08 6.54 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 0.00 134 K 8.77 4.10 0.00 2.00 1.88 0.00 2.16 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.35 7.81 135 A 7.92 4.17 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 0.00 136 D 8.08 4.47 0.00 2.77 2.85 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 0.00 0.00 0.00 0.00 137 L 8.00 4.40 0.00 1.78 1.70 0.93 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.21 4.02 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 0.00 139 N 8.21 4.36 0.00 2.85 2.97 0.00 0.00 5.99 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 0.00 140 K 8.18 4.43 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.37 7.81 141 R 7.70 4.19 0.00 1.90 1.92 0.00 3.23 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 142 M 9.13 4.63 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 143 V 7.59 4.13 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 -0.09 0.00 0.00 0.90 0.00 0.00 144 E 8.37 4.18 0.00 1.96 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 2.35 2.28 0.00 145 Y 8.81 4.05 0.00 3.20 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 0.00 146 E 8.32 4.11 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 2.46 2.55 0.00 147 E 7.96 3.85 0.00 1.94 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 2.33 2.38 0.00 148 A 7.55 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 7.83 3.46 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 150 A 7.98 3.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.01 3.92 0.00 3.18 3.21 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 0.00 152 A 8.17 3.74 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 D 8.38 4.25 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 0.00 154 D 8.13 4.45 0.00 2.60 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 0.00 155 N 6.97 4.70 0.00 2.24 2.53 0.00 0.00 7.07 7.38 0.00 0.00 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 S 7.47 3.68 0.00 3.94 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 0.00 157 L 7.66 4.90 0.00 1.47 1.56 0.84 1.17 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 0.00 158 L 8.31 4.31 0.00 1.60 1.55 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.40 5.84 0.00 2.88 2.86 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 0.00 160 M 7.97 4.27 0.00 1.74 1.64 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 161 E 8.26 4.73 0.00 1.94 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 2.22 0.00 162 T 8.82 4.85 4.17 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 1.08 0.00 0.00 163 S 8.86 4.60 0.00 3.77 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.60 3.97 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 0.00 165 K 7.58 2.00 0.00 0.95 1.43 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.09 0.76 7.81 166 T 7.56 4.10 4.17 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 1.10 0.00 0.00 167 A 8.04 3.75 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 0.00 168 M 7.53 4.03 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 169 N 9.05 4.43 0.00 3.02 2.87 0.00 0.00 6.74 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 0.00 170 V 7.93 3.58 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 1.24 0.00 0.00 1.01 0.00 0.00 171 N 8.29 4.61 0.00 2.90 3.06 0.00 0.00 7.01 8.08 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 0.00 172 D 8.11 4.46 0.00 2.68 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 0.00 173 L 7.90 3.80 0.00 1.70 1.49 0.74 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 174 F 7.65 3.64 0.00 2.68 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 0.00 175 L 8.29 4.08 0.00 1.89 1.90 1.01 0.88 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 0.00 176 A 7.88 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 0.00 177 I 7.78 3.75 1.89 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.87 0.00 0.00 178 A 8.45 4.16 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 0.00 179 K 8.13 3.98 0.00 1.93 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.71 7.81 180 K 7.71 4.22 0.00 1.86 1.81 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 181 L 6.75 4.10 0.00 1.49 0.75 0.70 0.60 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 0.00 182 P 0.00 4.52 0.00 2.24 2.06 0.00 3.28 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 183 K 8.49 4.27 0.00 1.77 1.76 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.