NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 969 N 4.7404 8.2833 118.1259 52.6323 41.0981 175.8301 970 Q 3.8064 8.2690 118.5845 58.6438 28.5585 177.0768 971 K 3.8978 8.3381 119.2412 59.8782 32.4605 178.1857 972 M 4.2509 7.9726 117.4335 58.9128 32.1762 177.9530 973 I 3.6781 8.0922 119.7531 64.4933 37.2781 178.3956 974 A 4.1140 8.8785 122.2689 55.1660 18.1378 179.6769 975 S 4.0819 9.0779 112.6861 61.3889 62.4837 176.1260 976 A 4.0017 8.7472 123.9315 55.1219 18.1287 179.3243 977 F 4.0963 8.7278 119.4051 61.7462 39.7000 177.0101 978 N 4.0834 8.7126 116.4748 56.2012 37.8106 176.9096 979 N 4.2807 8.4851 118.3849 56.8093 39.0449 176.9054 980 A 3.9676 7.9149 122.0573 54.7436 18.3821 179.4089 981 L 3.6709 7.6410 117.9169 57.8346 41.5890 179.6599 982 G 3.8233 7.8388 104.7207 48.0671 0.0000 175.2016 983 A 3.9746 7.5693 122.9427 54.7567 18.3030 179.6546 984 I 3.3960 7.8395 118.1626 64.6407 37.2266 178.4426 985 Q 4.1411 8.0667 118.6112 59.4146 28.5501 178.9773 986 D 4.5215 8.3409 119.7822 57.3002 40.9131 179.2499 987 G 3.3889 8.0904 106.2413 47.9370 0.0000 175.9212 988 F 4.5628 8.5747 120.7795 59.8454 38.7643 177.7742 989 D 4.3581 8.6261 119.2531 57.3910 40.7645 178.4701 990 A 4.0690 8.2277 121.3470 55.4593 18.2728 179.9293 991 T 3.9090 7.9403 114.1821 66.7725 68.5961 176.8156 992 N 4.3418 8.1247 118.1427 56.2769 38.5967 177.2987 993 S 4.0604 8.4896 114.6504 61.3245 62.5171 175.7706 994 A 3.9707 7.9921 123.3055 55.5716 18.0964 179.6777 995 L 4.1066 8.5803 117.5278 57.8187 41.7201 180.1630 996 G 3.6191 8.1678 105.9203 47.6298 0.0000 176.0556 997 K 4.0561 8.0787 120.8873 59.2455 31.9876 179.5350 998 I 3.7339 7.7620 120.1504 64.4316 37.1395 178.3028 999 Q 3.9939 7.9737 120.1040 58.9785 28.9693 178.2651 1000 S 4.0566 7.9536 113.8556 61.3130 62.5154 176.3751 1001 V 3.5538 8.1399 121.3037 66.0448 31.3927 178.0926 1002 V 3.5975 8.1098 118.4064 66.1098 31.3137 177.7735 1003 N 4.3333 8.1177 115.4964 56.2904 38.4469 177.1861 1004 A 4.0041 7.8724 121.7221 55.4259 18.4786 179.4299 1005 N 4.3891 8.3354 114.5365 55.8650 38.5430 177.7367 1006 A 3.9830 7.9932 122.5990 55.1384 18.6187 179.2595 1007 E 3.9159 8.8831 117.9971 59.3218 29.6330 178.9522 1008 A 4.0130 8.0303 120.9842 54.8587 18.4718 179.3527 1009 L 3.8989 7.8073 118.5106 58.2997 42.2819 178.7403 1010 N 4.3865 8.6161 117.4841 56.8252 38.8772 176.6697 1011 N 4.4320 8.2356 117.9028 55.9025 38.5638 177.2260 1012 L 3.9360 7.9965 122.0517 58.0442 42.3013 178.9032 1013 L 4.0363 7.9841 118.9479 58.1061 41.1962 179.3875 1014 N 4.4775 8.1831 115.8503 56.2673 38.4643 177.6606 1015 Q 3.9889 8.1540 119.6637 58.7704 28.8446 178.5170 1016 L 3.6075 8.2739 120.7345 57.5732 41.3890 179.6160 1017 S 4.2528 7.6830 112.5246 61.6868 63.0506 176.1649 1018 N 4.4858 7.8598 119.6535 55.8942 38.1088 177.3771 1019 R 3.9491 8.1115 118.4472 59.4730 30.2897 179.0045 1020 F 4.9342 8.1740 112.2866 58.3906 39.6861 176.2952 1021 G 4.0001 8.0781 109.5649 44.7820 0.0000 174.4186 1022 A 4.5371 7.4558 116.0638 51.7552 21.7541 176.0930 *1216 D 4.4379 7.8170 114.6213 53.2787 40.3678 175.2552 1217 L 4.3710 8.1199 119.5166 54.6677 42.2236 176.8560 1218 S 4.4877 7.9785 114.5768 57.1280 62.1420 173.4809 1219 L 3.9411 8.7029 128.0130 55.3785 42.2397 177.0387 1220 D 4.6796 8.4022 121.3711 53.2091 40.5684 176.5943 1221 F 4.2870 8.7866 124.7083 57.9757 39.2905 176.6916 1222 E 4.1686 8.8847 122.8661 57.8817 29.5662 177.2682 1223 K 4.6281 7.6255 114.8367 56.4330 33.1709 176.3806 1224 L 4.6676 7.4680 117.8862 54.3963 42.1200 176.4873 1225 N 4.4725 8.1319 117.2215 53.2681 39.6780 173.6392 1226 V 4.2808 8.3437 125.2931 61.4545 33.2652 175.2283 1227 T 4.4803 8.0904 124.7303 63.7147 70.8050 172.2909 1228 L 4.2111 8.4055 119.0687 57.6833 45.6448 172.0578 1229 L 3.0517 9.0688 117.3914 54.6809 44.2645 171.8859 1230 D 4.2617 8.6150 123.7836 55.4700 39.5647 174.3090 1231 L 4.7970 8.0628 117.9944 55.4826 46.3756 177.5698 1232 T 3.6531 7.9795 117.9976 66.4532 68.2253 175.6898 1233 Y 4.1510 8.0502 121.1954 60.7886 38.7534 177.8701 1234 E 3.7162 8.2554 118.7779 59.5464 29.6730 178.5270 1235 M 4.0217 8.8354 119.2339 59.1869 32.2096 178.1592 1236 N 4.3235 8.7070 116.6976 56.0439 38.7446 177.4620 1237 R 3.6588 7.8010 120.3796 59.5039 30.1412 178.7559 1238 I 3.4683 7.8657 119.8154 64.0875 36.7746 178.1918 1239 Q 3.9490 7.9391 120.6466 59.0349 28.8316 178.1460 1240 D 4.2724 8.1904 119.7409 57.3574 40.9501 178.1759 1241 A 3.8958 7.5921 120.9652 55.6641 17.9837 179.7620 1242 I 3.7183 7.3873 116.7441 64.3114 37.3943 178.6923 1243 K 4.1414 7.6649 119.2044 59.4392 31.5583 179.4552 1244 K 4.1576 8.5395 120.0261 59.2103 31.9981 178.5470 1245 L 3.9737 8.1156 121.0488 58.0918 41.8683 178.6100 1246 N 4.8886 8.2229 116.5132 56.1128 38.2497 176.3165 1247 E 4.5051 7.6770 116.6759 57.1784 29.7188 177.7719 1248 S 4.7356 7.8105 114.5232 57.5592 64.4797 174.0489 1249 Y 4.2513 7.2522 118.7948 58.3026 38.2142 175.7834 1250 I 4.2534 9.2283 125.3420 60.0209 38.6448 175.4295 1251 N 4.6266 8.6325 123.5945 52.6623 38.3248 175.5236 1252 L 4.1253 8.4978 126.9301 57.3243 42.0170 178.9222 1253 K 4.0957 7.9861 118.9243 58.9403 32.5313 176.2575 1254 E 4.1728 8.0460 122.4585 56.5314 29.3127 176.3749 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 969 N 8.28 4.74 0.00 2.77 2.93 0.00 0.00 6.99 6.85 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 0.00 970 Q 8.27 3.81 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 971 K 8.34 3.90 0.00 1.85 1.90 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.60 7.81 972 M 7.97 4.25 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.66 0.00 973 I 8.09 3.68 1.99 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 1.46 0.55 0.88 0.00 0.00 974 A 8.88 4.11 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 0.00 975 S 9.08 4.08 0.00 3.95 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 0.00 976 A 8.75 4.00 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 0.00 977 F 8.73 4.10 0.00 3.15 3.26 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 0.00 978 N 8.71 4.08 0.00 2.85 3.10 0.00 0.00 6.76 6.47 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 0.00 979 N 8.49 4.28 0.00 3.03 2.93 0.00 0.00 7.07 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 980 A 7.91 3.97 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 0.00 981 L 7.64 3.67 0.00 1.33 1.04 -0.19 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 982 G 7.84 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 0.00 0.00 0.00 983 A 7.57 3.97 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 0.00 984 I 7.84 3.40 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.83 0.91 0.00 0.00 985 Q 8.07 4.14 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 986 D 8.34 4.52 0.00 2.94 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 0.00 987 G 8.09 3.39 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 0.00 988 F 8.57 4.56 0.00 3.09 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 0.00 989 D 8.63 4.36 0.00 2.92 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 0.00 990 A 8.23 4.07 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 0.00 991 T 7.94 3.91 4.52 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 0.00 0.00 0.00 0.00 1.28 0.00 0.00 992 N 8.12 4.34 0.00 3.08 2.88 0.00 0.00 6.68 7.01 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 0.00 993 S 8.49 4.06 0.00 3.86 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 0.00 994 A 7.99 3.97 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 0.00 995 L 8.58 4.11 0.00 1.82 1.75 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 996 G 8.17 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 0.00 0.00 0.00 997 K 8.08 4.06 0.00 2.01 1.87 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 998 I 7.76 3.73 2.02 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 1.42 0.80 0.92 0.00 0.00 999 Q 7.97 3.99 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 1000 S 7.95 4.06 0.00 3.97 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 1001 V 8.14 3.55 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 0.94 0.00 0.00 0.97 0.00 0.00 1002 V 8.11 3.60 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 0.98 0.00 0.00 0.97 0.00 0.00 1003 N 8.12 4.33 0.00 2.95 2.85 0.00 0.00 6.92 6.93 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 1004 A 7.87 4.00 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 1005 N 8.34 4.39 0.00 3.08 2.88 0.00 0.00 6.90 8.07 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 1006 A 7.99 3.98 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 1007 E 8.88 3.92 0.00 2.16 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 2.31 2.38 0.00 1008 A 8.03 4.01 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 1009 L 7.81 3.90 0.00 1.89 1.90 0.91 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 1010 N 8.62 4.39 0.00 2.88 2.98 0.00 0.00 7.25 6.26 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 1011 N 8.24 4.43 0.00 2.97 2.85 0.00 0.00 6.64 6.74 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 1012 L 8.00 3.94 0.00 1.84 1.90 0.87 0.48 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 1013 L 7.98 4.04 0.00 2.14 2.03 1.04 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 1014 N 8.18 4.48 0.00 2.78 2.86 0.00 0.00 7.07 7.05 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 1015 Q 8.15 3.99 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 1016 L 8.27 3.61 0.00 1.63 1.21 0.82 0.45 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 1017 S 7.68 4.25 0.00 4.17 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 0.00 1018 N 7.86 4.49 0.00 2.88 2.90 0.00 0.00 7.05 7.33 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 1019 R 8.11 3.95 0.00 1.59 1.90 0.00 3.30 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 1020 F 8.17 4.93 0.00 3.16 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1021 G 8.08 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1022 A 7.46 4.54 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 *1216 D 7.82 4.44 0.00 2.81 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 1217 L 8.12 4.37 0.00 1.40 1.01 0.76 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 1218 S 7.98 4.49 0.00 3.89 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 1219 L 8.70 3.94 0.00 1.78 1.44 0.93 1.19 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 1220 D 8.40 4.68 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1221 F 8.79 4.29 0.00 3.09 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 1222 E 8.88 4.17 0.00 1.93 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 2.34 2.31 0.00 1223 K 7.63 4.63 0.00 1.95 1.81 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.30 7.81 1224 L 7.47 4.67 0.00 1.32 1.47 0.23 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 1225 N 8.13 4.47 0.00 2.71 2.75 0.00 0.00 7.01 7.71 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 1226 V 8.34 4.28 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 0.97 0.00 0.00 0.96 0.00 0.00 1227 T 8.09 4.48 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 1.22 0.00 0.00 1228 L 8.41 4.21 0.00 1.58 1.68 0.93 0.98 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 1229 L 9.07 3.05 0.00 1.71 1.94 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 1230 D 8.61 4.26 0.00 2.81 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 1231 L 8.06 4.80 0.00 1.83 1.63 0.99 0.67 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 1232 T 7.98 3.65 4.29 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 1.23 0.00 0.00 1233 Y 8.05 4.15 0.00 3.03 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1234 E 8.26 3.72 0.00 2.31 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 2.46 2.48 0.00 1235 M 8.84 4.02 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 1236 N 8.71 4.32 0.00 2.82 2.78 0.00 0.00 6.74 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1237 R 7.80 3.66 0.00 1.52 1.79 0.00 2.90 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 1238 I 7.87 3.47 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.56 0.93 0.00 0.00 1239 Q 7.94 3.95 0.00 2.32 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 1240 D 8.19 4.27 0.00 2.79 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 1241 A 7.59 3.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1242 I 7.39 3.72 2.06 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 1.65 0.75 0.96 0.00 0.00 1243 K 7.66 4.14 0.00 1.94 1.85 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 1244 K 8.54 4.16 0.00 1.75 1.78 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.45 7.81 1245 L 8.12 3.97 0.00 2.15 1.88 0.93 0.60 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 1246 N 8.22 4.89 0.00 3.13 2.97 0.00 0.00 7.01 7.78 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 1247 E 7.68 4.51 0.00 2.18 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 2.38 2.51 0.00 1248 S 7.81 4.74 0.00 3.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1249 Y 7.25 4.25 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1250 I 9.23 4.25 2.02 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.74 0.95 0.00 0.00 1251 N 8.63 4.63 0.00 2.79 2.85 0.00 0.00 7.22 6.66 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 1252 L 8.50 4.13 0.00 1.70 1.75 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 1253 K 7.99 4.10 0.00 1.73 1.92 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.41 7.81 1254 E 8.05 4.17 0.00 2.22 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 2.35 2.63 0.00 * Residues marked with a * may have inaccurate shift predictions.