NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 Y 4.7679 8.1293 121.6775 57.9731 38.6727 174.0823 1002 D 4.3277 8.5415 124.9185 51.9911 39.9561 175.8578 1003 G 3.8806 8.0014 108.1135 46.0347 0.0000 175.3669 1004 T 4.2741 7.9025 108.2524 61.1561 69.4549 174.6827 1005 K 4.3675 7.9266 122.3323 55.3164 32.3246 176.0586 1006 C 5.1201 8.5630 122.0415 54.8635 42.1189 174.7108 1007 K 3.9251 8.4047 123.8710 58.3407 33.1335 176.5035 1008 A 4.5240 7.6191 120.8894 50.3793 21.9487 175.0322 1009 A 4.1530 8.5443 122.6847 54.0716 18.5551 178.4178 1010 G 3.9443 9.1068 110.2065 45.8436 0.0000 173.5994 1011 N 4.8992 8.2686 118.7100 51.5427 39.0146 173.4526 1012 C 5.1752 8.4361 116.6379 55.5633 41.8567 174.3551 1013 W 4.2676 8.1875 130.1377 57.4202 30.8954 174.8462 1014 E 3.9274 5.9000 122.6835 53.0930 32.9078 173.7700 1015 P 3.7330 0.0000 0.0000 62.1565 32.3171 176.4964 1016 K 4.2114 7.9894 119.4605 55.0638 32.8995 174.7880 1017 P 4.4989 0.0000 0.0000 64.3765 31.4675 177.4425 1018 G 3.9224 9.0219 110.4374 45.5558 0.0000 173.0002 1019 F 4.8146 8.0597 117.9729 54.8908 41.1530 173.7531 1020 P 4.7834 0.0000 0.0000 61.9951 32.4644 176.3222 1021 E 4.4067 8.8808 119.4411 58.6181 29.7439 177.7428 1022 K 4.7290 7.9136 116.4098 54.4854 35.4925 175.9618 1023 I 4.1665 8.2338 114.6337 61.5549 38.6870 175.6744 1024 A 4.2285 7.9493 124.3606 54.0606 18.2739 177.6768 1025 G 3.9135 9.4529 112.3689 45.1697 0.0000 173.4280 1026 S 4.5992 7.6903 115.1286 56.3193 64.8602 174.8702 1027 K 4.0499 8.1514 118.0415 58.4878 32.3793 176.9777 1028 Y 4.6873 7.3217 116.5510 57.6388 38.1595 175.0673 1029 D 4.4013 7.7336 121.1161 53.9803 41.3788 174.8237 1030 P 4.2505 0.0000 0.0000 63.5805 31.9709 176.1543 1031 K 3.8103 7.8730 117.1337 57.5656 29.8235 175.5506 1032 H 4.3562 7.9272 114.5351 55.4991 29.8943 176.0146 1033 D 4.4443 8.6431 122.7192 53.6142 41.7267 174.9561 1034 P 4.3363 0.0000 0.0000 66.5452 31.1175 179.3646 1035 K 4.1667 8.1186 121.5933 59.6380 31.8940 181.4535 1036 E 4.3110 8.1143 118.6985 59.4456 29.2569 179.0773 1037 L 4.0051 7.5974 117.5921 57.6054 41.7375 178.4823 1038 N 4.6772 7.7430 112.7930 53.6866 38.9007 177.3137 1039 K 4.0220 7.8630 121.4986 59.4335 32.2304 179.1396 1040 Q 4.0409 8.0412 117.2678 59.0265 28.8106 178.1589 1041 A 4.0055 7.9328 122.4599 54.8946 18.5724 178.8702 1042 D 4.2706 7.8694 116.5791 57.4729 41.2659 178.4537 1043 S 4.1021 8.0222 113.4305 61.4211 62.3935 176.1799 1044 I 3.7021 7.7174 122.4590 64.2048 36.9489 178.2673 1045 K 3.9265 7.9784 120.2055 59.6943 32.0515 178.9173 1046 Q 4.0177 7.9895 117.8165 59.0770 28.5529 178.5759 1047 M 4.0531 8.0344 119.7640 58.4998 32.0466 178.6343 1048 E 4.0334 8.3234 121.1633 60.0661 29.4831 180.0285 1049 E 4.0166 8.1241 118.0040 61.0806 29.9320 181.3380 1050 R 4.0800 7.7972 118.7948 59.1986 30.0539 178.9299 1051 N 4.3454 8.3224 116.3447 56.1878 38.5463 177.3287 1052 K 3.9317 8.1518 121.0147 59.4035 32.1684 178.9648 1053 K 3.9531 7.8024 118.9106 59.4867 32.0331 179.5550 1054 R 3.6780 7.8046 118.0047 59.1262 30.0047 179.3825 1055 V 3.8211 8.0590 118.1617 66.2022 31.7171 177.9644 1056 E 4.0190 8.3006 118.3856 59.4152 29.2937 178.9066 1057 N 4.3407 8.0608 116.9354 56.4055 38.9831 176.7634 1058 F 4.4586 8.1940 122.0668 61.4559 39.3222 177.3629 1059 K 3.7767 7.9786 116.8399 59.2214 31.8550 179.2300 1060 K 4.1454 7.9354 118.1709 58.6344 32.1341 178.5269 1061 T 4.4480 7.8805 108.0443 60.7194 70.0623 175.8839 1062 G 3.8446 8.1746 108.4803 45.1625 0.0000 172.7964 1063 K 4.6682 7.8848 120.5011 54.1436 34.1401 175.1913 1064 F 4.0847 8.8492 128.8525 57.3707 39.9714 173.8790 1065 E 4.5122 7.6908 128.0702 54.4355 31.2862 174.6643 1066 Y 4.0642 8.7215 127.9630 59.8628 39.5183 174.5403 1067 D 4.5369 8.4223 120.3773 53.1962 40.6470 177.0610 1068 V 3.6017 8.1376 121.0864 63.6311 31.8386 178.5534 1069 A 4.0681 7.9539 121.9929 54.2696 18.2292 178.1931 1070 K 4.2897 7.9883 113.6717 56.4408 32.4695 176.3895 1071 I 4.3420 7.2344 121.2379 59.4631 38.1368 176.0105 1072 S 4.0450 8.6424 120.7593 60.7506 63.5337 174.0486 *1073 A 4.0943 7.8502 127.2182 52.1612 18.6149 175.8881 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 1001 Y 8.13 4.77 0.00 2.63 2.87 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 1002 D 8.54 4.33 0.00 2.77 2.62 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 1003 G 8.00 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 1004 T 7.90 4.27 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 1.22 0.00 0.00 1005 K 7.93 4.37 0.00 1.90 1.82 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.38 7.81 1006 C 8.56 5.12 0.00 2.95 3.17 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 1007 K 8.40 3.93 0.00 1.87 1.96 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.60 7.81 1008 A 7.62 4.52 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 1009 A 8.54 4.15 1.27 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 0.00 0.00 0.00 1010 G 9.11 3.94 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 0.00 0.00 0.00 1011 N 8.27 4.90 0.00 2.72 2.69 0.00 0.00 7.00 6.96 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 1012 C 8.44 5.18 0.00 3.09 3.16 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 1013 W 8.19 4.27 0.00 3.18 3.07 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 0.00 0.00 0.00 0.00 1014 E 5.90 3.93 0.00 1.38 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 2.03 2.12 0.00 1015 P 0.00 3.73 0.00 2.23 2.15 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 1016 K 7.99 4.21 0.00 1.54 1.73 0.00 1.38 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.31 7.81 1017 P 0.00 4.50 0.00 2.10 2.04 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 1018 G 9.02 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 1019 F 8.06 4.81 0.00 3.16 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1020 P 0.00 4.78 0.00 2.52 2.15 0.00 4.17 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 1021 E 8.88 4.41 0.00 2.08 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 2.37 2.33 0.00 1022 K 7.91 4.73 0.00 1.73 1.69 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.44 7.81 1023 I 8.23 4.17 1.99 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 1.35 0.73 1.05 0.00 0.00 1024 A 7.95 4.23 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 1025 G 9.45 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 0.00 0.00 0.00 0.00 1026 S 7.69 4.60 0.00 4.04 4.07 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 0.00 0.00 0.00 0.00 1027 K 8.15 4.05 0.00 1.59 1.73 0.00 1.24 0.00 0.00 1.44 0.00 0.00 2.61 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.79 0.21 7.81 1028 Y 7.32 4.69 0.00 3.15 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 1029 D 7.73 4.40 0.00 2.84 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 1030 P 0.00 4.25 0.00 1.70 2.04 0.00 3.94 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 1031 K 7.87 3.81 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.55 7.81 1032 H 7.93 4.36 0.00 3.14 3.19 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1033 D 8.64 4.44 0.00 2.72 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 1034 P 0.00 4.34 0.00 2.19 2.11 0.00 3.66 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 2.18 0.00 1035 K 8.12 4.17 0.00 1.88 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 1036 E 8.11 4.31 0.00 2.10 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 0.00 2.40 2.34 0.00 1037 L 7.60 4.01 0.00 1.77 1.72 0.92 0.79 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 1038 N 7.74 4.68 0.00 2.77 2.83 0.00 0.00 6.95 7.15 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 1039 K 7.86 4.02 0.00 1.88 1.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.45 1.61 7.81 1040 Q 8.04 4.04 0.00 2.27 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 1041 A 7.93 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 1042 D 7.87 4.27 0.00 2.79 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 1043 S 8.02 4.10 0.00 3.97 4.07 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 0.00 0.00 0.00 0.00 1044 I 7.72 3.70 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 1.41 0.38 0.91 0.00 0.00 1045 K 7.98 3.93 0.00 1.86 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 1046 Q 7.99 4.02 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 1047 M 8.03 4.05 0.00 2.09 2.12 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 2.77 2.59 0.00 1048 E 8.32 4.03 0.00 2.03 2.00 0.00 0.00 0.00 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 2.48 0.00 1049 E 8.12 4.02 0.00 2.02 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 2.24 2.22 0.00 1050 R 7.80 4.08 0.00 1.78 1.88 0.00 3.00 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 1051 N 8.32 4.35 0.00 2.75 2.91 0.00 0.00 6.69 7.58 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 1052 K 8.15 3.93 0.00 1.93 1.93 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 1053 K 7.80 3.95 0.00 1.90 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.61 7.81 1054 R 7.80 3.68 0.00 2.03 1.69 0.00 3.03 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 1.55 1.58 0.00 1055 V 8.06 3.82 2.16 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 1.14 0.00 0.00 1.15 0.00 0.00 1056 E 8.30 4.02 0.00 2.03 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 2.53 2.46 0.00 1057 N 8.06 4.34 0.00 2.77 2.87 0.00 0.00 6.82 9.04 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 1058 F 8.19 4.46 0.00 3.24 3.31 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 1059 K 7.98 3.78 0.00 1.89 1.79 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.62 7.81 1060 K 7.94 4.15 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.52 7.81 1061 T 7.88 4.45 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 1.31 0.00 0.00 1062 G 8.17 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 1063 K 7.88 4.67 0.00 1.74 1.76 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.39 7.81 1064 F 8.85 4.08 0.00 2.27 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 1065 E 7.69 4.51 0.00 1.81 1.61 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 0.00 2.11 2.33 0.00 1066 Y 8.72 4.06 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 D 8.42 4.54 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 1068 V 8.14 3.60 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.86 0.00 0.00 1069 A 7.95 4.07 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 1070 K 7.99 4.29 0.00 1.85 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.53 7.81 1071 I 7.23 4.34 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.46 0.86 0.00 0.00 1072 S 8.64 4.05 0.00 3.96 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 *1073 A 7.85 4.09 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 * Residues marked with a * may have inaccurate shift predictions.