NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 971 I 4.1457 8.0093 114.2702 61.1873 38.8316 174.2663 972 S 4.2971 7.9424 115.2094 56.4276 65.4730 169.6406 973 E 4.0998 9.3836 122.6925 56.0401 30.6498 177.3225 974 L 4.5204 8.2065 126.0373 52.6504 43.2031 174.7719 975 P 4.2653 0.0000 0.0000 63.1115 31.7752 175.7789 976 S 4.7106 8.5381 116.3025 56.7548 64.4602 173.3935 977 E 4.6720 8.7542 126.6810 56.4777 29.7102 176.5986 978 E 4.2123 8.3080 119.3496 56.5900 30.2305 177.0609 979 G 4.2969 8.5323 113.3554 44.7666 0.0000 173.3937 980 K 4.6761 7.1964 117.5993 52.9757 35.9615 176.2332 981 K 4.1490 8.3029 121.3160 56.2224 32.7993 176.6439 982 L 4.1841 8.1880 124.0514 54.3025 42.3989 176.2558 983 E 4.2768 8.2419 119.9399 54.9770 31.3025 175.4686 984 H 4.6768 8.1555 119.0368 54.0326 29.3457 175.2130 985 F 4.6563 8.3696 125.1992 60.5063 39.4405 177.9589 986 T 4.2154 7.9952 109.6627 63.3210 69.1923 176.6196 987 K 4.0696 7.8780 122.2391 59.5866 32.0327 177.9078 988 L 4.3408 7.6244 115.1960 55.0181 41.9302 177.4426 989 R 4.0978 7.2537 117.1240 55.2953 30.5984 174.7166 990 P 4.3117 0.0000 0.0000 63.0617 31.9127 175.7319 991 K 4.4974 8.3645 121.1509 54.4765 34.3506 175.6982 992 R 4.4038 8.2134 124.5166 54.0997 31.1312 174.8332 993 N 4.3763 8.6728 123.7947 53.3140 38.7490 175.7757 994 K 4.4025 8.4259 122.9788 55.7344 33.6278 176.7174 995 K 4.2859 8.5018 118.4208 57.4095 33.1419 177.1790 996 Q 4.5917 7.8007 118.3924 54.0902 31.0750 174.7027 997 Q 4.4025 8.4377 123.8902 54.1025 30.0702 173.9231 998 P 4.3532 0.0000 0.0000 63.7345 31.9629 176.5147 999 T 4.3353 8.4054 116.9311 64.9861 69.5038 175.3552 1000 Q 4.5828 7.5776 116.8912 53.7004 32.8204 174.9277 1001 A 4.0245 8.7640 123.0630 54.2274 18.7201 177.7049 1002 A 4.8284 7.6795 116.5348 50.4460 21.7995 175.4270 1003 V 4.5079 7.7220 117.4374 61.9301 34.7748 173.9483 1004 C 4.3929 8.0691 120.1337 59.3284 31.8108 173.4345 *1021 R 4.0959 8.3372 118.9608 56.6605 29.8771 175.7539 1022 V 4.2143 8.1832 121.8684 60.7555 33.2010 175.2150 1023 D 4.8155 8.3759 120.1432 54.6340 39.2972 175.0156 1024 E 4.2096 8.0200 119.7756 57.0360 30.0928 176.4828 1025 G 4.0577 8.9819 114.5477 45.9342 0.0000 175.5373 1026 V 3.6434 7.2237 117.5388 65.8239 31.7021 177.3253 1027 D 4.7358 8.2034 118.3448 57.7268 40.8029 178.5706 1028 E 4.5349 8.1995 119.0787 58.1733 29.2854 178.8109 1029 F 4.0020 7.7879 120.5784 60.7413 39.4730 175.5647 1030 F 4.6196 7.9120 114.3887 57.6654 39.6897 176.1493 1031 T 4.4658 7.5364 110.5571 62.3684 70.7386 174.6539 1032 K 4.0968 8.1256 120.7205 56.9063 32.5767 176.2975 1033 K 4.4509 8.0432 119.0242 55.4258 35.9195 176.3134 1034 V 3.7077 8.5538 116.5634 64.4459 31.8674 176.4679 1035 T 4.0621 8.0444 119.8806 64.1145 68.2550 173.3824 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 971 I 8.01 4.15 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.12 0.91 0.00 0.00 972 S 7.94 4.30 0.00 4.03 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 0.00 973 E 9.38 4.10 0.00 1.95 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 0.00 2.29 2.33 0.00 974 L 8.21 4.52 0.00 1.67 1.57 0.92 1.14 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 0.00 975 P 0.00 4.27 0.00 2.04 2.00 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 976 S 8.54 4.71 0.00 3.78 3.71 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 0.00 977 E 8.75 4.67 0.00 1.98 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 2.23 2.25 0.00 978 E 8.31 4.21 0.00 1.95 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 2.26 2.29 0.00 979 G 8.53 4.30 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 0.00 980 K 7.20 4.68 0.00 1.67 1.67 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.44 7.81 981 K 8.30 4.15 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.46 7.81 982 L 8.19 4.18 0.00 1.60 1.45 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 983 E 8.24 4.28 0.00 2.06 1.89 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 2.07 1.90 0.00 984 H 8.16 4.68 0.00 3.20 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 985 F 8.37 4.66 0.00 3.05 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 0.00 986 T 8.00 4.22 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 1.27 0.00 0.00 987 K 7.88 4.07 0.00 1.97 1.96 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.48 7.81 988 L 7.62 4.34 0.00 1.62 1.72 1.06 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 989 R 7.25 4.10 0.00 1.90 1.89 0.00 3.36 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 990 P 0.00 4.31 0.00 2.04 2.01 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 991 K 8.36 4.50 0.00 1.68 1.66 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.38 7.81 992 R 8.21 4.40 0.00 1.76 1.80 0.00 3.30 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 993 N 8.67 4.38 0.00 2.75 2.76 0.00 0.00 7.18 7.61 0.00 0.00 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 K 8.43 4.40 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 995 K 8.50 4.29 0.00 1.73 1.85 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.35 7.81 996 Q 7.80 4.59 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.95 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 997 Q 8.44 4.40 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 998 P 0.00 4.35 0.00 2.03 2.00 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 999 T 8.41 4.34 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1000 Q 7.58 4.58 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 1001 A 8.76 4.02 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 1002 A 7.68 4.83 1.22 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 0.00 0.00 1003 V 7.72 4.51 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 0.87 0.00 0.00 0.93 0.00 0.00 1004 C 8.07 4.39 0.00 2.95 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 *1021 R 8.34 4.10 0.00 1.83 1.95 0.00 3.16 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 1022 V 8.18 4.21 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 0.73 0.00 0.00 0.93 0.00 0.00 1023 D 8.38 4.82 0.00 2.85 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 1024 E 8.02 4.21 0.00 1.97 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 2.30 2.31 0.00 1025 G 8.98 4.06 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 0.00 0.00 0.00 1026 V 7.22 3.64 2.28 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 1.10 0.00 0.00 0.92 0.00 0.00 1027 D 8.20 4.74 0.00 2.80 2.79 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 1028 E 8.20 4.53 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 2.43 2.32 0.00 1029 F 7.79 4.00 0.00 2.78 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 1030 F 7.91 4.62 0.00 3.28 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 1031 T 7.54 4.47 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 1.27 0.00 0.00 1032 K 8.13 4.10 0.00 1.89 1.77 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.58 7.81 1033 K 8.04 4.45 0.00 1.81 1.63 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.34 7.81 1034 V 8.55 3.71 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 0.68 0.00 0.00 0.91 0.00 0.00 1035 T 8.04 4.06 4.23 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.