NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.6636 8.3493 120.5197 53.5061 42.0548 174.7615 4 P 4.6023 0.0000 0.0000 62.2391 33.3167 173.1857 5 K 5.0079 9.3826 121.6536 55.0224 35.0230 176.5343 6 F 5.1451 9.4102 122.8563 55.6387 42.7770 173.4579 7 E 5.2126 9.3081 122.7504 54.2814 32.0859 174.8198 8 A 4.7186 8.9900 129.1123 52.2556 18.9158 177.7113 9 A 4.4169 9.1246 124.6238 52.7075 20.2823 176.6209 10 Y 4.6550 7.6557 111.0015 55.6698 42.0010 175.1871 11 D 4.4786 8.8141 121.4489 55.2794 41.9353 176.7352 12 F 5.2544 9.1694 124.4531 55.8612 39.6850 173.1850 13 P 4.1601 0.0000 0.0000 62.7191 32.3242 179.1384 14 G 3.2478 6.9961 107.2410 45.1665 0.0000 172.7287 15 S 4.4963 8.6913 112.6485 57.4173 64.4806 174.9052 16 G 4.0023 8.5055 106.9680 45.2997 0.0000 174.1730 17 S 4.2134 8.0022 114.5865 58.4146 62.8091 174.6162 18 S 4.5643 8.4751 119.5184 59.2142 63.5569 174.9948 19 S 4.4369 8.0589 117.2808 59.9949 63.1156 173.2971 20 E 5.1970 7.6372 119.4545 54.6136 31.4652 175.4883 21 L 4.6991 8.5869 125.3531 52.7155 43.4419 174.3346 22 P 4.7658 0.0000 0.0000 62.6880 32.0144 176.0444 23 L 5.0162 9.1761 123.5651 53.0149 45.6183 175.8103 24 K 4.9376 8.4841 120.2752 54.1959 35.4709 175.7788 25 K 3.9820 8.5511 123.4779 57.8735 32.4146 177.3442 26 G 4.0340 8.9403 115.3044 44.5590 0.0000 173.4940 27 D 4.5847 7.6961 120.0488 54.5000 42.1898 175.4025 28 I 4.8692 8.0692 121.2354 59.7309 40.1709 175.1569 29 V 4.4982 8.4965 118.6323 59.7347 36.7582 174.5302 30 F 5.3571 8.9802 120.6353 56.9264 41.1275 175.4209 31 I 4.9848 8.3132 120.6816 60.0694 39.3754 175.3537 32 S 4.6066 8.7808 122.1563 59.4549 64.7481 175.1192 33 R 4.7515 7.6282 117.8148 54.2495 34.2130 174.0069 34 D 5.5064 8.8599 122.2150 52.7429 43.5083 175.3590 35 E 5.0110 9.1886 121.1896 53.7640 33.1591 175.5303 36 P 4.3668 0.0000 0.0000 65.1786 31.7913 177.8474 37 S 4.0818 8.0782 113.3824 60.2499 62.9307 175.0669 38 G 3.9497 7.9246 108.6251 44.6227 0.0000 172.5730 39 W 5.2624 7.8937 119.0027 54.7274 32.3429 174.9974 40 S 5.3326 9.7230 118.7973 56.7449 66.2613 173.2605 41 L 3.8713 9.0453 126.9918 54.1296 42.3706 175.0273 42 A 5.2066 8.2634 128.4230 50.1311 21.8247 175.2083 43 K 5.0349 8.6150 121.3216 54.2267 35.7062 175.9344 44 L 4.4426 8.5921 126.6911 54.7283 42.4560 178.4320 45 L 4.0237 8.4614 120.6917 57.7326 41.6892 178.1911 46 D 4.5095 8.1273 115.4871 53.4141 39.8623 177.1026 47 G 3.9899 8.1429 108.5355 46.0119 0.0000 174.8677 48 S 4.3535 8.2897 115.6366 60.0546 63.7393 174.7091 49 K 4.7575 7.7785 118.8731 54.3905 36.3850 174.9857 50 E 5.0251 8.4639 123.6574 54.4897 32.6206 174.7372 51 G 4.0552 8.2862 111.4479 45.3821 0.0000 172.6579 52 W 4.9884 8.8103 121.5520 56.7308 30.5029 176.0812 53 V 4.7969 9.3324 115.4837 58.7727 36.4246 173.3198 54 P 3.7161 0.0000 0.0000 62.6119 31.3679 177.5131 55 T 3.7395 8.3395 121.4247 66.6513 68.6431 176.5400 56 A 4.0170 7.5293 122.7657 55.1928 18.6123 177.8303 57 Y 4.7605 7.8965 112.3831 59.7378 38.3298 174.5672 58 M 5.1356 7.8723 120.6381 53.9193 33.6506 175.4744 59 T 4.8605 8.8254 118.3878 59.2736 70.9657 171.1675 60 P 3.8463 0.0000 0.0000 63.4102 32.0808 174.8896 61 Y 4.5022 7.9436 125.2866 56.7707 39.5259 174.9543 62 K 4.0315 8.1081 125.4380 54.5319 34.9908 175.3716 63 D 4.4495 7.6410 123.6004 53.1652 42.4126 176.6274 64 T 4.3073 8.1135 112.0796 62.1734 69.3283 175.5172 65 R 4.2358 7.4283 120.3789 57.2328 30.4472 176.6866 66 N 4.6607 7.6780 115.0731 53.8348 39.0889 175.1018 67 T 4.4742 7.4461 108.7908 61.5607 69.5184 174.8702 68 V 4.4099 7.3519 119.8578 61.1776 34.3645 172.2811 69 P 4.1185 0.0000 0.0000 66.3945 31.3623 176.2761 70 V 3.7384 7.6250 123.7198 62.2951 31.3255 176.0051 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 3 D 8.35 4.66 0.00 2.40 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 4 P 0.00 4.60 0.00 2.36 2.28 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 5 K 9.38 5.01 0.00 1.74 1.54 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.60 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.03 1.53 7.81 6 F 9.41 5.15 0.00 2.86 2.96 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 7 E 9.31 5.21 0.00 2.17 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 2.26 2.27 0.00 8 A 8.99 4.72 1.37 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 9 A 9.12 4.42 1.24 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 0.00 0.00 0.00 10 Y 7.66 4.65 0.00 1.43 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 0.00 0.00 0.00 0.00 11 D 8.81 4.48 0.00 2.58 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.17 5.25 0.00 3.54 3.14 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 0.00 13 P 0.00 4.16 0.00 2.14 2.12 0.00 3.96 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 1.97 1.96 0.00 14 G 7.00 3.25 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 0.00 15 S 8.69 4.50 0.00 3.95 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 16 G 8.51 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 0.00 0.00 0.00 17 S 8.00 4.21 0.00 3.90 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 18 S 8.48 4.56 0.00 4.03 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 19 S 8.06 4.44 0.00 3.93 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 20 E 7.64 5.20 0.00 2.15 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 0.00 2.69 2.25 0.00 21 L 8.59 4.70 0.00 1.79 1.75 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.77 0.00 2.01 1.94 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 23 L 9.18 5.02 0.00 1.85 1.67 1.10 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.48 4.94 0.00 1.78 1.72 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.51 7.81 25 K 8.55 3.98 0.00 1.85 1.68 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.31 7.81 26 G 8.94 4.03 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 0.00 0.00 0.00 27 D 7.70 4.58 0.00 2.82 2.61 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 0.00 0.00 0.00 28 I 8.07 4.87 1.55 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.55 0.30 0.00 0.00 29 V 8.50 4.50 2.22 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 0.75 0.00 0.00 1.03 0.00 0.00 30 F 8.98 5.36 0.00 2.99 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 31 I 8.31 4.98 1.63 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.51 0.69 0.00 0.00 32 S 8.78 4.61 0.00 3.84 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 33 R 7.63 4.75 0.00 1.66 1.90 0.00 3.08 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 34 D 8.86 5.51 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 9.19 5.01 0.00 2.05 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 2.35 2.49 0.00 36 P 0.00 4.37 0.00 2.17 2.18 0.00 3.79 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 37 S 8.08 4.08 0.00 4.13 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 38 G 7.92 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 0.00 0.00 0.00 39 W 7.89 5.26 0.00 3.11 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 40 S 9.72 5.33 0.00 3.69 3.66 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 41 L 9.05 3.87 0.00 0.27 1.08 -0.38 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.26 5.21 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 43 K 8.61 5.03 0.00 1.86 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.49 7.81 44 L 8.59 4.44 0.00 1.69 1.59 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.46 4.02 0.00 1.57 1.67 0.70 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.13 4.51 0.00 2.79 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 47 G 8.14 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.29 4.35 0.00 4.02 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 49 K 7.78 4.76 0.00 1.69 1.69 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 50 E 8.46 5.03 0.00 1.88 1.71 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 2.00 2.30 0.00 51 G 8.29 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 52 W 8.81 4.99 0.00 3.13 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 53 V 9.33 4.80 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 0.99 0.00 0.00 0.98 0.00 0.00 54 P 0.00 3.72 0.00 0.88 0.87 0.00 2.80 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.81 0.00 55 T 8.34 3.74 4.16 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 1.15 0.00 0.00 56 A 7.53 4.02 1.08 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 0.00 0.00 57 Y 7.90 4.76 0.00 3.09 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 58 M 7.87 5.14 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.77 0.00 59 T 8.83 4.86 4.35 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 1.35 0.00 0.00 60 P 0.00 3.85 0.00 1.86 1.76 0.00 3.79 0.00 0.00 3.79 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 61 Y 7.94 4.50 0.00 2.78 2.89 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 62 K 8.11 4.03 0.00 1.56 1.50 0.00 1.68 0.00 0.00 1.45 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.18 1.22 7.81 63 D 7.64 4.45 0.00 2.12 2.27 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 64 T 8.11 4.31 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 1.16 0.00 0.00 65 R 7.43 4.24 0.00 1.88 2.00 0.00 3.16 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 1.62 1.57 0.00 66 N 7.68 4.66 0.00 2.72 2.78 0.00 0.00 6.90 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 67 T 7.45 4.47 4.21 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 1.15 0.00 0.00 68 V 7.35 4.41 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 0.87 0.00 0.00 0.92 0.00 0.00 69 P 0.00 4.12 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 70 V 7.63 3.74 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 0.77 0.00 0.00 0.93 0.00 0.00