NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2480 8.3044 120.3455 56.4831 32.2437 174.1652 2 S 3.1505 9.2139 120.6057 58.1485 59.9368 165.0000 3 E 3.8490 9.1672 131.5582 55.6338 29.5934 173.6940 4 T 5.5225 8.2665 124.6964 61.0824 68.0482 174.3095 5 I 4.2888 8.5326 116.7188 60.8095 40.0896 176.6313 6 T 5.0881 8.4820 114.8015 60.2493 70.4203 173.9084 7 V 4.3720 8.7888 126.4370 59.7646 34.0716 174.3242 8 N 5.0867 8.4772 122.3135 52.7152 40.3633 173.9164 9 C 4.0248 9.0136 127.6297 58.7198 32.3426 172.0664 10 P 4.5526 0.0000 0.0000 63.9067 31.5472 176.5206 11 T 4.4673 8.0541 115.3044 65.3244 69.7549 175.1324 12 C 4.4941 8.3189 112.9791 57.4533 31.3942 172.9132 13 G 3.7596 9.2960 108.5194 45.2631 0.0000 171.3197 14 K 4.5724 7.6133 123.3598 55.4241 36.4406 174.6671 15 T 4.4936 8.6444 124.0424 63.4930 68.8914 173.8424 16 V 4.5304 8.8099 128.3498 60.5618 34.0697 175.3475 17 V 4.1420 8.5196 127.8708 61.6559 32.5025 174.7748 18 W 4.9595 9.8184 134.8780 55.0406 34.1465 174.8095 19 G 4.4236 6.6447 109.5302 44.6071 0.0000 177.4410 20 E 4.3899 7.9617 120.3129 53.5130 29.7170 172.9938 21 I 4.2964 7.6905 123.1882 61.1876 44.9893 174.5022 22 S 4.8985 7.7303 113.9871 55.8125 65.4208 172.3512 23 P 4.3616 0.0000 0.0000 64.9478 31.9421 177.1181 24 F 4.4906 7.7813 117.3572 55.7743 38.3125 175.1612 25 R 4.8826 8.1839 122.4780 58.1397 30.6013 176.1103 26 P 4.6079 0.0000 0.0000 63.1201 31.7949 175.3227 27 F 3.8302 8.6066 124.8481 56.6037 38.3877 174.8435 28 C 4.4252 8.8036 116.4923 60.2664 30.2320 174.0681 29 S 3.9942 7.5689 113.4186 55.1226 67.2343 174.6415 30 K 4.1360 7.8997 122.0489 59.6357 31.8651 178.9377 31 R 3.7835 7.7602 117.9641 59.2119 30.0104 178.5530 32 C 4.1292 7.7938 116.3605 63.0679 28.0213 176.0139 33 Q 2.5200 7.3238 119.5555 58.7577 28.6958 177.4852 34 L 3.5502 7.6471 121.6065 57.6729 40.6904 178.6611 35 I 3.9512 8.2432 120.0923 64.6059 36.9706 177.7567 36 D 4.6394 7.8829 118.1844 57.4902 41.0529 177.6929 37 L 4.0730 7.9109 118.0142 58.3609 41.8004 178.7452 38 G 4.3170 7.7957 106.0475 45.7810 0.0000 173.6336 39 E 4.3162 7.1572 117.0485 55.0736 30.1989 176.5886 40 W 4.9054 7.7901 117.6711 55.1689 32.0396 174.7723 41 A 4.8335 8.4132 126.7254 49.8413 21.2910 175.3820 42 A 4.1341 8.6239 119.9923 55.1994 18.2838 178.4050 43 E 4.3333 7.9083 112.9563 55.7950 30.3085 176.4884 44 E 4.1767 8.1443 118.9082 57.8647 30.0990 177.8386 45 K 4.2122 7.2854 129.8605 55.5294 33.3140 174.8289 46 R 4.0091 8.6630 127.7453 54.7901 30.5527 175.2143 47 I 4.3932 8.0147 121.3503 58.4326 39.0802 173.5682 48 P 4.3920 0.0000 0.0000 65.2478 31.6942 177.1962 49 S 4.3486 7.9204 114.0229 57.8811 63.5070 173.5576 50 S 4.6783 8.5265 120.0023 57.9454 67.7059 171.4601 51 G 4.1852 9.7995 110.2678 42.7310 0.0000 176.1293 52 D 4.1202 8.5884 126.8501 55.0758 39.7620 175.2986 53 L 4.5214 8.1244 131.0858 54.9851 43.8641 176.0616 54 S 3.7100 8.6801 124.1128 59.8765 60.2826 171.9698 55 E 4.5470 7.5196 119.1951 55.4818 31.5654 174.4362 56 S 3.6473 8.4919 122.8939 59.3858 59.1863 170.2769 57 D 4.8690 8.0108 121.1172 52.9188 39.8300 175.1729 58 D 4.7390 8.8713 121.1849 53.9150 41.4482 177.3242 59 W 4.2852 8.7041 127.1641 57.1238 33.8135 173.7012 60 S 3.5704 8.2291 120.3882 59.6226 59.0736 171.0825 61 E 4.2689 8.1767 120.1964 57.5629 29.8822 176.2415 62 E 3.9539 7.8936 119.1343 54.9851 28.8457 173.5460 63 P 4.2143 0.0000 0.0000 64.1231 31.9970 177.4638 64 K 4.2419 7.9514 118.5465 58.2945 32.7014 176.6204 65 Q 4.0931 7.5294 120.9426 56.3132 28.6707 174.4470 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 1 M 8.30 4.25 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 S 9.21 3.15 0.00 4.10 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 3 E 9.17 3.85 0.00 2.20 1.96 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 2.34 2.34 0.00 4 T 8.27 5.52 4.26 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 1.22 0.00 0.00 5 I 8.53 4.29 1.94 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 1.63 1.23 0.99 0.00 0.00 6 T 8.48 5.09 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 1.25 0.00 0.00 7 V 8.79 4.37 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 0.88 0.00 0.00 0.72 0.00 0.00 8 N 8.48 5.09 0.00 2.69 2.68 0.00 0.00 6.99 7.64 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 9 C 9.01 4.02 0.00 2.98 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 10 P 0.00 4.55 0.00 2.34 2.08 0.00 3.07 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.73 0.00 11 T 8.05 4.47 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 12 C 8.32 4.49 0.00 3.07 3.06 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 13 G 9.30 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.61 4.57 0.00 1.81 1.60 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 15 T 8.64 4.49 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 16 V 8.81 4.53 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 1.33 0.00 0.00 1.09 0.00 0.00 17 V 8.52 4.14 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 0.63 0.00 0.00 0.96 0.00 0.00 18 W 9.82 4.96 0.00 3.46 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 19 G 6.64 4.42 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 0.00 0.00 0.00 20 E 7.96 4.39 0.00 2.14 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 2.14 2.08 0.00 21 I 7.69 4.30 1.84 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 0.48 0.87 0.00 0.00 22 S 7.73 4.90 0.00 3.89 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 23 P 0.00 4.36 0.00 2.27 2.20 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 2.10 2.03 0.00 24 F 7.78 4.49 0.00 3.09 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 25 R 8.18 4.88 0.00 1.47 1.92 0.00 2.67 0.00 0.00 3.41 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.56 0.00 26 P 0.00 4.61 0.00 2.72 2.50 0.00 3.85 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 2.06 2.29 0.00 27 F 8.61 3.83 0.00 3.43 3.30 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 28 C 8.80 4.43 0.00 3.08 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 29 S 7.57 3.99 0.00 3.78 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 30 K 7.90 4.14 0.00 1.85 1.79 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.86 7.81 31 R 7.76 3.78 0.00 1.78 1.90 0.00 3.31 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 32 C 7.79 4.13 0.00 3.17 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 33 Q 7.32 2.52 0.00 1.33 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.91 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 34 L 7.65 3.55 0.00 1.55 1.19 -0.26 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.24 3.95 1.93 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 1.48 0.76 0.99 0.00 0.00 36 D 7.88 4.64 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.91 4.07 0.00 2.32 1.94 1.27 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.80 4.32 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 0.00 39 E 7.16 4.32 0.00 1.16 1.18 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 0.00 1.90 2.07 0.00 40 W 7.79 4.91 0.00 3.24 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 41 A 8.41 4.83 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 42 A 8.62 4.13 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 7.91 4.33 0.00 2.19 2.11 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 2.38 2.36 0.00 44 E 8.14 4.18 0.00 2.00 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 2.35 2.40 0.00 45 K 7.29 4.21 0.00 1.68 1.70 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.49 7.81 46 R 8.66 4.01 0.00 1.98 1.91 0.00 3.06 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 47 I 8.01 4.39 1.89 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 1.63 1.02 0.93 0.00 0.00 48 P 0.00 4.39 0.00 2.23 2.17 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 49 S 7.92 4.35 0.00 4.01 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 50 S 8.53 4.68 0.00 3.85 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 51 G 9.80 4.19 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 0.00 52 D 8.59 4.12 0.00 2.79 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 0.00 0.00 0.00 0.00 53 L 8.12 4.52 0.00 1.55 1.52 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.68 3.71 0.00 4.04 3.90 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 55 E 7.52 4.55 0.00 1.87 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 2.23 2.25 0.00 56 S 8.49 3.65 0.00 4.08 4.12 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 57 D 8.01 4.87 0.00 2.64 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 58 D 8.87 4.74 0.00 2.85 2.78 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 59 W 8.70 4.29 0.00 3.27 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 60 S 8.23 3.57 0.00 4.43 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 61 E 8.18 4.27 0.00 1.91 1.98 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 2.42 2.38 0.00 62 E 7.89 3.95 0.00 2.20 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 2.27 2.27 0.00 63 P 0.00 4.21 0.00 2.17 2.16 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 64 K 7.95 4.24 0.00 1.75 1.91 0.00 1.58 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.48 7.81 65 Q 7.53 4.09 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.47 0.00