NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3155 8.3349 116.7976 59.3270 64.7960 173.7013 3 R 3.6288 7.9722 115.2386 57.3573 27.3602 172.0547 4 V 4.6808 7.2463 111.6787 59.2883 36.3171 176.7353 5 C 3.8522 8.9198 125.0794 60.8276 31.5755 175.9889 6 Q 4.0485 7.7610 121.4234 56.4442 29.4186 174.2836 7 V 4.0906 8.1803 116.0049 62.3260 32.4204 176.5678 8 T 4.3729 7.6732 106.8867 60.2825 69.4931 174.2636 9 G 3.8879 8.3591 109.0809 46.1677 0.0000 173.8549 10 K 3.9494 7.6544 119.1326 56.5376 32.1483 176.7109 11 R 4.7991 8.2820 122.1781 53.1500 33.2571 173.5051 12 P 5.0720 0.0000 0.0000 62.0650 31.2124 176.5803 13 V 4.2627 8.2939 117.2154 60.9488 33.5307 175.0160 14 T 4.8585 8.5204 112.0869 60.2785 70.8063 173.9884 15 G 4.2937 8.4468 112.6097 45.5486 0.0000 170.2979 16 N 5.3254 8.8273 118.3496 51.5379 41.7415 174.8504 17 N 4.1948 9.0006 120.6617 55.0923 39.1130 175.5488 18 R 3.7365 7.9600 115.3533 57.2922 27.9141 174.7288 19 S 4.4421 8.2612 116.1672 56.9496 64.7249 173.9791 20 H 4.1047 8.5893 119.3821 57.2930 29.8240 175.2130 21 A 3.6872 8.8094 122.1973 51.8068 16.5724 177.5366 22 L 3.5929 7.2293 114.0461 56.1973 39.5481 175.1152 23 N 4.8498 7.9155 116.0614 51.9227 40.3416 176.4483 24 A 4.6015 8.6184 126.6537 52.0730 19.9229 177.3450 25 T 4.1796 8.5946 109.7874 60.8366 70.5171 172.3288 26 K 4.6628 8.7656 125.6456 56.5535 32.1237 175.5468 27 R 4.1887 8.3443 119.1358 57.4511 31.4112 172.2627 28 R 4.1264 7.8223 126.4284 55.2181 31.4831 175.0016 29 F 4.9062 9.1149 123.8325 55.7653 41.0698 174.8303 30 L 5.0141 8.1073 121.9001 53.0514 43.1992 174.4683 31 P 4.3764 0.0000 0.0000 62.7500 31.5327 175.8771 32 N 4.3272 8.3967 117.3034 54.9109 39.3044 172.8552 33 L 4.0403 7.5640 120.1879 54.5275 41.1919 174.2652 34 H 4.5253 8.8350 113.7220 55.1356 34.6523 171.5173 35 S 3.7117 8.1693 118.6628 58.5624 61.6646 170.8030 36 H 4.4288 8.8519 125.6235 54.2296 32.0028 174.4394 37 R 4.6854 6.7813 121.7657 54.9432 27.6306 175.7074 38 F 4.7185 7.9246 120.7412 57.5676 41.1114 175.8858 39 W 4.9922 9.1671 132.7238 55.7597 30.4828 175.3311 40 V 3.2331 7.8543 121.9986 62.7024 31.3019 175.8968 41 E 2.9193 6.5269 122.9351 56.6738 29.1571 176.0057 42 S 3.9728 7.6885 112.9474 61.3787 63.0724 174.9882 43 E 3.9349 7.8530 118.1533 55.3183 30.0668 175.4200 44 K 3.2721 7.4609 118.5440 57.0922 31.0176 172.7588 45 R 4.5612 5.9391 117.4136 55.7731 34.4580 174.2953 46 F 5.6678 9.0329 121.3541 56.2405 39.8194 175.4069 47 V 4.3190 8.4790 118.1396 60.1721 32.3062 175.8953 48 T 5.1866 8.5609 121.5232 60.8436 67.9718 173.7168 49 L 4.8542 8.6254 128.2126 52.4236 45.3502 176.8165 50 R 4.2641 8.2528 123.5001 55.3759 29.5614 177.8457 51 V 4.3627 7.5509 128.5022 62.2900 32.1510 174.9607 52 S 5.2373 8.7257 113.7237 57.3970 64.2209 176.5050 53 A 4.0604 8.4922 125.0439 53.6570 19.1179 177.0659 54 K 4.2912 9.1643 126.8098 57.7747 31.6756 178.5832 55 G 3.7690 7.6454 102.4653 47.3703 0.0000 174.7461 56 M 4.3675 8.0232 120.4402 57.9288 32.4032 178.4483 57 R 3.9749 8.0556 118.1509 58.8814 30.0816 179.3969 58 V 3.5096 7.6687 117.8759 66.1793 31.7391 177.6963 59 I 3.6003 7.3590 119.5857 64.5707 36.5647 178.1743 60 D 4.3298 7.7369 118.2438 57.0785 41.0233 178.1880 61 K 4.0671 7.9338 118.8828 59.9052 32.3082 177.9651 62 K 4.2716 8.7896 117.9980 54.4130 32.8011 176.2704 63 G 4.4763 7.0941 114.1179 44.6380 0.0000 173.2857 64 I 3.2016 7.8008 124.7400 63.3618 36.9931 177.4834 65 D 4.4985 7.6798 118.7878 55.8809 41.9906 178.4827 66 T 3.9180 7.5970 115.0666 66.2079 68.8694 176.6959 67 V 3.6188 8.4055 121.3429 66.0160 31.1625 178.1833 68 L 3.7939 7.3155 117.4967 56.6471 41.0461 179.2080 69 A 3.8955 7.8215 121.2482 56.4885 19.0713 178.7983 70 E 4.3616 8.3814 124.2634 54.4355 30.7062 177.2549 71 L 3.8235 9.2471 121.9850 56.6478 41.4278 175.9451 72 R 4.0282 6.4320 121.8399 59.4255 30.4462 179.8787 73 A 3.9323 8.0928 121.8029 55.2529 18.3081 178.4687 74 R 4.2023 8.0098 109.1555 55.7645 29.9982 176.1002 75 G 3.6954 7.7650 108.0845 46.2949 0.0000 171.7345 76 E 4.8534 7.6775 121.6919 53.8578 33.8281 177.2184 77 K 4.3162 8.2955 120.5246 56.9513 32.3283 176.2591 78 Y 3.9699 8.6959 118.6030 58.2033 39.5573 169.4907 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 2 S 8.33 4.32 0.00 3.89 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 3 R 7.97 3.63 0.00 2.01 1.96 0.00 3.15 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 4 V 7.25 4.68 2.10 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 0.95 0.00 0.00 0.95 0.00 0.00 5 C 8.92 3.85 0.00 2.94 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 6 Q 7.76 4.05 0.00 2.38 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 7 V 8.18 4.09 2.06 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 0.88 0.00 0.00 0.87 0.00 0.00 8 T 7.67 4.37 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 1.20 0.00 0.00 9 G 8.36 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.65 3.95 0.00 1.88 1.78 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.42 7.81 11 R 8.28 4.80 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 12 P 0.00 5.07 0.00 2.21 2.12 0.00 3.38 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 13 V 8.29 4.26 2.15 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 0.74 0.00 0.00 1.09 0.00 0.00 14 T 8.52 4.86 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 1.24 0.00 0.00 15 G 8.45 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 0.00 0.00 0.00 0.00 16 N 8.83 5.33 0.00 2.60 2.70 0.00 0.00 6.78 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 17 N 9.00 4.19 0.00 2.70 2.85 0.00 0.00 7.07 7.18 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 18 R 7.96 3.74 0.00 1.87 1.91 0.00 3.30 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 19 S 8.26 4.44 0.00 4.08 4.02 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 20 H 8.59 4.10 0.00 3.26 3.24 0.00 5.99 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.81 3.69 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 22 L 7.23 3.59 0.00 1.81 1.72 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.92 4.85 0.00 2.60 2.75 0.00 0.00 6.99 8.22 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 24 A 8.62 4.60 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 25 T 8.59 4.18 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 1.20 0.00 0.00 26 K 8.77 4.66 0.00 1.63 1.81 0.00 1.92 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.27 7.81 27 R 8.34 4.19 0.00 1.47 1.93 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.30 0.00 28 R 7.82 4.13 0.00 1.97 1.94 0.00 3.18 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.74 0.00 29 F 9.11 4.91 0.00 3.08 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 30 L 8.11 5.01 0.00 1.71 1.61 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.38 0.00 2.07 2.09 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 32 N 8.40 4.33 0.00 2.70 2.85 0.00 0.00 7.07 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 33 L 7.56 4.04 0.00 1.73 1.60 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.83 4.53 0.00 3.12 3.26 0.00 5.86 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 35 S 8.17 3.71 0.00 4.15 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 36 H 8.85 4.43 0.00 2.95 2.31 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 6.78 4.69 0.00 1.46 1.37 0.00 2.24 0.00 0.00 2.92 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.21 0.00 38 F 7.92 4.72 0.00 3.36 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 39 W 9.17 4.99 0.00 3.34 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 40 V 7.85 3.23 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 0.64 0.00 0.00 0.53 0.00 0.00 41 E 6.53 2.92 0.00 2.02 1.80 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 2.76 2.35 0.00 42 S 7.69 3.97 0.00 3.94 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 43 E 7.85 3.93 0.00 1.87 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 2.22 2.25 0.00 44 K 7.46 3.27 0.00 1.71 1.70 0.00 2.05 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.49 7.81 45 R 5.94 4.56 0.00 1.84 1.62 0.00 3.25 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 46 F 9.03 5.67 0.00 3.23 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 47 V 8.48 4.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.06 0.00 0.00 48 T 8.56 5.19 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 1.27 0.00 0.00 49 L 8.63 4.85 0.00 1.82 1.61 0.82 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.25 4.26 0.00 1.79 1.91 0.00 3.30 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 51 V 7.55 4.36 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 1.09 0.00 0.00 1.34 0.00 0.00 52 S 8.73 5.24 0.00 4.12 3.97 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 53 A 8.49 4.06 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 0.00 0.00 0.00 0.00 0.00 54 K 9.16 4.29 0.00 1.96 1.94 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 G 7.65 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 0.00 0.00 0.00 56 M 8.02 4.37 0.00 2.17 2.19 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 2.88 3.05 0.00 57 R 8.06 3.97 0.00 2.06 1.99 0.00 3.14 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 58 V 7.67 3.51 2.25 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 1.03 0.00 0.00 0.95 0.00 0.00 59 I 7.36 3.60 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.44 0.31 0.00 0.00 60 D 7.74 4.33 0.00 2.86 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 61 K 7.93 4.07 0.00 1.80 1.93 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 62 K 8.79 4.27 0.00 1.66 1.69 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.40 7.81 63 G 7.09 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.80 3.20 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.51 0.68 0.00 0.00 65 D 7.68 4.50 0.00 2.60 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 66 T 7.60 3.92 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 1.17 0.00 0.00 67 V 8.41 3.62 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 0.87 0.00 0.00 0.82 0.00 0.00 68 L 7.32 3.79 0.00 1.65 1.34 0.63 -0.49 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 69 A 7.82 3.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.36 0.00 2.04 1.72 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 2.30 2.64 0.00 71 L 9.25 3.82 0.00 1.90 1.58 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.43 4.03 0.00 2.29 2.59 0.00 2.82 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.65 0.00 73 A 8.09 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 4.20 0.00 1.95 2.05 0.00 3.26 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.59 0.00 75 G 7.76 3.70 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 0.00 0.00 0.00 76 E 7.68 4.85 0.00 1.95 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 2.25 2.30 0.00 77 K 8.30 4.32 0.00 1.96 1.75 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.54 7.81 78 Y 8.70 3.97 0.00 3.12 3.04 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