NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4142 8.2893 120.3488 54.9147 33.5524 175.7600 2 E 3.9941 8.3846 123.5944 55.2550 31.6595 174.5886 3 E 3.8949 9.1018 122.8924 59.6040 30.1962 180.3476 4 A 4.2092 7.9476 120.2282 55.0834 18.4743 179.5462 5 K 3.8620 7.9608 116.5649 59.7467 32.1823 179.2007 6 Q 3.9818 8.4485 120.0669 58.8853 28.9143 178.1931 7 K 3.9775 8.3617 121.0100 59.3540 32.2959 178.9650 8 V 3.7338 7.9201 118.5193 66.0886 31.4991 178.1442 9 V 3.6449 8.0007 118.0045 66.2713 31.1612 177.7586 10 D 4.3876 8.4029 117.8978 57.1490 40.6783 178.1457 11 F 4.1854 8.1835 120.5100 61.3795 39.4640 176.9083 12 L 4.1809 7.8791 117.0200 56.3620 42.9034 177.9910 13 N 4.7299 7.9449 118.9878 50.5822 36.3562 173.6911 14 S 4.5865 6.8157 116.7785 56.4319 66.6512 176.1124 15 K 3.7939 8.7409 125.4911 60.1950 32.2982 177.6846 16 S 4.0492 7.8485 114.0378 59.0904 62.6759 174.7547 17 G 4.4953 9.2632 117.3737 46.1680 0.0000 175.4124 18 S 4.4217 7.7357 113.5157 58.9707 63.5678 175.1659 19 K 4.2075 7.6349 118.2342 57.4273 32.2275 176.6558 20 S 4.6428 7.6177 113.6591 56.2855 66.1082 172.8923 21 K 4.3820 7.9533 121.0954 54.7889 33.8185 175.8886 22 F 4.8374 8.3470 122.4271 55.9036 42.2331 174.3508 23 Y 5.2576 9.3088 121.1261 56.4702 40.6315 176.5762 24 F 4.5368 9.6170 122.8024 62.3713 39.3390 177.4265 25 N 4.6690 8.3668 116.0641 55.4798 38.1247 177.0253 26 D 4.2620 7.9531 120.1366 57.2556 41.1486 178.3759 27 F 4.0215 7.7957 118.1337 60.4852 39.1475 177.7658 28 T 3.8986 7.6729 109.4701 64.7476 68.2340 176.2984 29 D 4.3368 7.9910 121.0592 56.7259 40.8554 177.8271 30 L 4.0297 7.3734 117.2291 54.7219 43.4342 176.7489 31 F 4.8729 7.7047 117.6082 55.1023 39.0785 174.1401 32 P 4.2885 0.0000 0.0000 65.4424 31.7315 177.8672 33 D 4.6229 8.0722 116.3828 54.8901 41.2751 175.7738 34 M 4.6349 7.7153 119.2123 53.0293 34.2864 176.2350 35 K 4.2215 8.2436 120.7291 56.3174 33.1771 178.2048 36 Q 4.1231 8.8729 121.0308 59.4573 28.6165 179.5088 37 R 3.9292 8.0160 119.0966 59.2901 30.1407 178.0523 38 E 3.8754 8.0893 118.8815 59.1312 29.5622 179.0028 39 V 3.3296 7.6649 117.9241 65.7004 31.6160 177.6638 40 K 3.9794 8.6612 119.8600 59.5748 31.9218 178.9533 41 K 3.9223 8.2239 118.7980 59.2152 31.9638 179.3730 42 I 3.5512 7.6989 120.1507 64.4684 36.9780 178.5463 43 L 3.7260 7.8243 119.7680 57.8817 41.3138 179.7353 44 T 3.6617 8.0144 115.7174 66.3272 68.3170 176.5373 45 A 3.9658 8.0731 122.8289 55.2625 18.4139 179.7349 46 L 3.9239 7.7902 117.3691 57.7311 41.6029 180.0025 47 V 4.0519 7.8730 119.7886 65.5980 31.2747 177.7031 48 N 4.3357 8.3838 115.4189 56.5937 38.5341 176.6596 49 D 4.4925 8.0960 117.7892 54.7235 41.0006 176.8261 50 E 3.9308 7.9697 117.7188 57.1936 27.6153 175.6970 51 V 3.8273 7.8456 121.6059 65.3701 32.6368 175.7903 52 L 5.3673 8.1538 119.4518 52.8894 44.9595 175.4354 53 E 5.1987 9.2077 118.6294 55.0997 33.0162 174.2340 54 Y 4.7974 8.4371 117.5413 55.9358 41.2672 173.1685 55 W 4.5467 7.5906 116.0224 55.3739 32.1075 173.6629 56 S 4.6138 8.5741 115.4210 58.2206 62.6426 173.4722 57 S 4.6242 9.2477 121.9273 57.8604 65.9552 173.2959 58 G 3.6681 8.4874 117.6491 47.3508 0.0000 174.1527 59 S 4.6421 8.6968 119.5570 58.3330 64.0312 174.0633 60 T 4.4531 8.1052 118.2525 61.6026 68.9053 172.0157 61 T 5.2505 8.7479 108.0907 60.1595 72.9215 172.8203 62 M 5.3621 8.8843 122.8077 54.0680 35.3286 173.7868 63 Y 4.9946 9.0588 122.7850 56.3245 41.4269 174.9773 64 G 4.3713 8.8048 108.9715 44.4169 0.0000 171.7202 65 L 4.7092 8.5441 119.5216 54.0738 42.8794 177.2397 66 K 4.2171 8.6108 124.2878 58.4439 32.6563 177.1938 67 G 4.0447 9.5153 114.3070 45.6453 0.0000 175.3874 68 A 4.1333 8.3436 122.0900 55.0771 18.1545 179.7955 69 G 3.8658 8.9826 104.5594 48.1486 0.0000 175.9121 70 K 4.1783 8.1044 120.1066 58.2104 32.0798 179.3484 71 Q 3.9680 8.1530 118.0141 59.0549 28.7868 178.3114 72 A 4.1408 7.9209 119.9675 55.0823 18.4370 179.2500 73 A 4.0739 7.6880 118.4555 55.0422 18.5650 177.9356 74 A 4.2414 7.8115 122.5952 52.5245 18.6333 177.1556 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 8.29 4.41 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 2 E 8.38 3.99 0.00 2.30 2.05 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 2.33 2.39 0.00 3 E 9.10 3.89 0.00 2.07 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 2.42 2.40 0.00 4 A 7.95 4.21 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 5 K 7.96 3.86 0.00 1.94 1.85 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.43 7.81 6 Q 8.45 3.98 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 7 K 8.36 3.98 0.00 1.91 2.16 0.00 1.53 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.28 1.35 7.81 8 V 7.92 3.73 2.26 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 0.89 0.00 0.00 1.09 0.00 0.00 9 V 8.00 3.64 2.24 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 1.00 0.00 0.00 1.00 0.00 0.00 10 D 8.40 4.39 0.00 2.74 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 11 F 8.18 4.19 0.00 2.99 3.23 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 12 L 7.88 4.18 0.00 1.80 1.82 1.13 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.94 4.73 0.00 2.84 2.78 0.00 0.00 6.99 7.25 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 14 S 6.82 4.59 0.00 3.91 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 15 K 8.74 3.79 0.00 1.79 1.82 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.43 7.81 16 S 7.85 4.05 0.00 3.67 3.67 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 17 G 9.26 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.74 4.42 0.00 4.03 4.13 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 19 K 7.63 4.21 0.00 1.81 1.87 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 20 S 7.62 4.64 0.00 3.32 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 21 K 7.95 4.38 0.00 1.44 1.31 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.38 7.81 22 F 8.35 4.84 0.00 3.02 2.46 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 23 Y 9.31 5.26 0.00 3.14 3.08 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 24 F 9.62 4.54 0.00 3.52 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 25 N 8.37 4.67 0.00 2.94 2.87 0.00 0.00 7.63 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 26 D 7.95 4.26 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 F 7.80 4.02 0.00 3.04 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 28 T 7.67 3.90 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 0.54 0.00 0.00 29 D 7.99 4.34 0.00 2.73 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 30 L 7.37 4.03 0.00 1.12 0.98 -0.41 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 31 F 7.70 4.87 0.00 3.05 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 32 P 0.00 4.29 0.00 2.16 2.16 0.00 3.75 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 1.96 1.93 0.00 33 D 8.07 4.62 0.00 2.72 2.76 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 34 M 7.72 4.63 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 35 K 8.24 4.22 0.00 1.82 1.74 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.46 7.81 36 Q 8.87 4.12 0.00 2.21 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 37 R 8.02 3.93 0.00 1.89 1.94 0.00 3.17 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 38 E 8.09 3.88 0.00 2.05 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 2.16 2.23 0.00 39 V 7.66 3.33 2.17 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 0.87 0.00 0.00 0.80 0.00 0.00 40 K 8.66 3.98 0.00 1.82 1.94 0.00 1.43 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.28 1.43 7.81 41 K 8.22 3.92 0.00 1.92 1.78 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.58 7.81 42 I 7.70 3.55 1.72 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.81 0.67 0.00 0.00 43 L 7.82 3.73 0.00 1.25 0.88 -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.01 3.66 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 1.13 0.00 0.00 45 A 8.07 3.97 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 46 L 7.79 3.92 0.00 1.79 1.68 0.83 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.87 4.05 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 1.49 0.00 0.00 0.91 0.00 0.00 48 N 8.38 4.34 0.00 2.87 2.88 0.00 0.00 7.13 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 49 D 8.10 4.49 0.00 2.78 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 50 E 7.97 3.93 0.00 2.17 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 2.27 2.42 0.00 51 V 7.85 3.83 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 1.07 0.00 0.00 0.94 0.00 0.00 52 L 8.15 5.37 0.00 1.67 1.66 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.21 5.20 0.00 2.16 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 0.00 2.37 2.04 0.00 54 Y 8.44 4.80 0.00 1.96 2.29 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 55 W 7.59 4.55 0.00 3.26 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 56 S 8.57 4.61 0.00 3.82 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 57 S 9.25 4.62 0.00 4.13 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 58 G 8.49 3.67 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 0.00 0.00 0.00 59 S 8.70 4.64 0.00 3.99 3.96 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 60 T 8.11 4.45 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 61 T 8.75 5.25 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 1.30 0.00 0.00 62 M 8.88 5.36 0.00 1.70 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 63 Y 9.06 4.99 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 64 G 8.80 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.54 4.71 0.00 1.67 1.65 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.61 4.22 0.00 1.91 1.78 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.32 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.51 7.81 67 G 9.52 4.04 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 0.00 0.00 0.00 68 A 8.34 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.98 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 0.00 0.00 0.00 70 K 8.10 4.18 0.00 1.85 1.88 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 71 Q 8.15 3.97 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 72 A 7.92 4.14 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 73 A 7.69 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 74 A 7.81 4.24 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