NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2135 8.2549 119.6917 56.1119 30.6741 173.5466 7 R 3.7445 7.8444 116.1730 58.4613 30.5209 174.9161 8 K 4.6926 8.1846 118.7417 54.9649 37.3773 176.1089 9 F 4.4460 9.3877 123.3977 57.3890 39.5299 176.1127 10 C 4.1103 9.2784 123.9843 63.1914 28.3722 176.0132 11 R 4.1876 8.2431 117.6529 59.4264 29.9384 177.6669 12 F 4.3667 8.6149 118.0709 61.8332 39.7906 176.4536 13 T 4.0349 7.6275 115.6223 61.6341 67.0651 173.9425 14 A 4.1669 6.7759 121.0464 51.8717 21.9440 175.9675 15 E 4.3455 8.5707 121.5271 54.0182 31.3261 176.0096 16 G 3.7615 8.4463 109.9961 45.9733 0.0000 173.1593 17 V 4.4565 8.0166 123.2546 61.1623 35.0424 174.1105 18 Q 4.3137 8.5279 124.4771 55.0947 28.9631 176.9801 19 E 4.1606 8.7499 123.1324 58.4722 29.7826 178.1451 20 I 3.7518 7.5784 118.4707 63.2472 38.3380 175.2059 21 D 4.0027 7.8115 120.4961 54.7793 40.8490 175.1351 22 Y 4.7108 7.4589 123.6050 56.7648 38.7061 176.0424 23 K 4.5024 7.8530 119.5489 57.8582 34.2610 177.4497 24 D 4.6794 9.4678 120.2682 53.7685 37.7211 176.0190 25 I 3.7113 7.8770 123.5472 63.3683 38.2092 176.3600 26 A 3.9410 8.0258 120.6839 55.4914 18.2580 178.7604 27 T 4.0551 7.4168 110.4784 64.4855 67.5932 176.8818 28 L 4.2235 7.7696 120.8032 57.7821 41.6195 179.2549 29 K 3.8726 8.3269 119.5730 59.6618 31.7415 178.4270 30 N 4.2392 7.6281 116.0112 55.9767 38.6055 175.2703 31 Y 4.6191 7.7835 116.5283 57.9501 38.0792 174.3484 32 I 4.8733 7.5544 121.9871 59.7267 38.9438 176.5605 33 T 4.3068 8.0018 122.5571 62.8506 69.8098 174.6979 34 E 4.0454 8.8363 120.5689 59.3100 29.5522 176.9175 35 S 4.7860 7.5041 112.5794 55.9438 65.8814 174.9082 36 G 4.4107 8.4421 108.3464 46.6170 0.0000 174.3642 37 K 4.1340 7.6918 120.7259 56.4006 32.6671 175.9184 38 I 4.2275 8.0821 123.0297 60.6247 37.9591 176.3268 39 V 3.7785 8.3699 121.2553 60.8853 32.1289 174.6156 40 P 4.4549 0.0000 0.0000 62.5440 32.3834 177.5064 41 S 4.1635 8.7434 115.6103 61.8238 63.0432 177.3344 42 R 3.8896 8.1036 118.5598 58.9170 30.3149 177.4121 43 I 3.8233 7.6604 116.8708 63.1529 39.0828 177.3051 44 T 4.0452 8.1677 115.2920 63.4593 67.2321 175.8101 45 G 4.4125 8.3593 108.8040 45.6775 0.0000 173.3867 46 T 4.0956 7.6567 109.1931 61.2793 70.0566 172.1682 47 R 4.7437 7.9402 116.9113 54.0115 32.2990 175.8818 48 A 4.0159 8.6169 118.0813 55.6833 17.7572 179.9959 49 K 3.9905 8.0871 116.4839 59.5995 32.2539 179.1640 50 Y 3.7920 8.1673 116.5325 60.9318 38.0466 177.3569 51 Q 3.9585 8.7814 121.0847 59.3043 28.5731 178.7822 52 R 3.8968 7.7782 117.0551 59.4963 29.2973 178.9690 53 Q 3.9467 7.6211 118.4952 58.3257 28.7535 178.0868 54 L 3.8207 8.3444 121.5687 58.1431 41.9677 178.5318 55 A 3.9099 8.0722 120.6752 55.5294 18.3000 179.4528 56 R 3.7819 7.7067 115.5871 59.5549 30.1396 178.5139 57 A 4.0940 8.2145 120.6829 55.3832 18.2985 179.7201 58 I 3.7047 8.2956 118.5972 64.2645 37.1321 178.5741 59 K 3.8180 8.1827 119.6189 59.6765 31.8861 179.3764 60 R 3.9365 8.0694 117.6467 59.4159 30.0537 178.8944 61 A 4.1694 8.1558 120.3718 55.4955 18.2295 179.9832 62 R 4.4845 8.0674 118.0370 58.9835 29.7591 178.5808 63 Y 4.9451 7.8070 119.8186 60.2165 38.9412 177.5462 64 L 3.9558 8.1123 117.5443 55.1046 41.6605 177.6066 65 S 4.1024 7.8643 112.6698 58.7659 61.5853 170.8746 66 L 4.2286 7.9576 120.2084 56.3418 41.9547 177.2734 67 L 4.7225 7.5367 118.4799 51.8017 43.8824 174.2109 68 P 4.7973 0.0000 0.0000 63.0352 32.1632 176.1803 69 Y 4.2637 9.0139 119.0452 60.6060 38.4910 175.9912 70 T 5.0375 7.7071 114.1246 62.2807 72.6237 172.5206 71 D 5.0823 8.4307 124.5936 52.0172 44.3762 175.8937 72 R 4.1929 8.2125 117.3781 55.9882 30.4827 176.3170 73 H 4.4489 8.4200 117.2010 55.2579 29.6177 175.3631 74 Q 4.1504 8.8040 121.9047 56.8376 28.7118 176.6289 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 6 R 8.25 4.21 0.00 1.39 1.81 0.00 3.03 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.50 0.00 7 R 7.84 3.74 0.00 1.82 1.86 0.00 3.20 0.00 0.00 3.16 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 8 K 8.18 4.69 0.00 1.74 1.82 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 9 F 9.39 4.45 0.00 3.17 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 10 C 9.28 4.11 0.00 3.29 2.88 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 11 R 8.24 4.19 0.00 1.99 2.08 0.00 3.65 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.76 0.00 12 F 8.61 4.37 0.00 2.91 3.35 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 13 T 7.63 4.03 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 1.17 0.00 0.00 14 A 6.78 4.17 1.20 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 0.00 0.00 0.00 0.00 0.00 15 E 8.57 4.35 0.00 1.89 1.85 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 2.23 2.27 0.00 16 G 8.45 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 17 V 8.02 4.46 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 0.89 0.00 0.00 1.04 0.00 0.00 18 Q 8.53 4.31 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 19 E 8.75 4.16 0.00 1.86 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 2.38 2.39 0.00 20 I 7.58 3.75 1.83 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 1.25 0.76 0.85 0.00 0.00 21 D 7.81 4.00 0.00 2.64 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 22 Y 7.46 4.71 0.00 3.05 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 23 K 7.85 4.50 0.00 1.71 1.92 0.00 1.86 0.00 0.00 1.81 0.00 0.00 3.20 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.69 1.46 7.81 24 D 9.47 4.68 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 3.71 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.42 0.92 0.00 0.00 26 A 8.03 3.94 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 27 T 7.42 4.06 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 1.43 0.00 0.00 28 L 7.77 4.22 0.00 1.76 1.80 0.99 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.33 3.87 0.00 1.89 1.80 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 30 N 7.63 4.24 0.00 2.29 2.55 0.00 0.00 7.03 8.10 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 31 Y 7.78 4.62 0.00 3.19 2.92 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 32 I 7.55 4.87 2.07 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 1.53 0.86 0.97 0.00 0.00 33 T 8.00 4.31 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 1.23 0.00 0.00 34 E 8.84 4.05 0.00 1.97 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 0.00 2.36 2.43 0.00 35 S 7.50 4.79 0.00 3.88 3.72 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 36 G 8.44 4.41 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 0.00 37 K 7.69 4.13 0.00 1.80 1.76 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.43 7.81 38 I 8.08 4.23 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.36 0.92 0.00 0.00 39 V 8.37 3.78 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 0.72 0.00 0.00 1.14 0.00 0.00 40 P 0.00 4.45 0.00 2.07 2.01 0.00 3.60 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 2.12 2.14 0.00 41 S 8.74 4.16 0.00 3.91 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 42 R 8.10 3.89 0.00 1.75 1.91 0.00 3.17 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 43 I 7.66 3.82 1.80 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 1.31 1.34 0.98 0.00 0.00 44 T 8.17 4.05 4.39 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 1.37 0.00 0.00 45 G 8.36 4.41 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 0.00 46 T 7.66 4.10 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 1.18 0.00 0.00 47 R 7.94 4.74 0.00 2.00 2.05 0.00 3.04 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 48 A 8.62 4.02 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.09 3.99 0.00 1.97 1.88 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.53 7.81 50 Y 8.17 3.79 0.00 2.98 2.99 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 51 Q 8.78 3.96 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 52 R 7.78 3.90 0.00 2.02 2.24 0.00 2.81 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.62 0.00 53 Q 7.62 3.95 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 54 L 8.34 3.82 0.00 1.60 1.72 0.63 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.07 3.91 1.39 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 0.00 0.00 56 R 7.71 3.78 0.00 1.90 2.10 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 57 A 8.21 4.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 3.70 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.94 0.87 0.00 0.00 59 K 8.18 3.82 0.00 1.92 1.85 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.63 7.81 60 R 8.07 3.94 0.00 1.86 1.83 0.00 3.10 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 61 A 8.16 4.17 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 4.48 0.00 1.52 0.66 0.00 2.22 0.00 0.00 2.90 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.31 0.00 63 Y 7.81 4.95 0.00 2.98 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 64 L 8.11 3.96 0.00 1.81 1.70 1.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.86 4.10 0.00 3.96 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 66 L 7.96 4.23 0.00 1.92 1.73 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.54 4.72 0.00 1.57 1.49 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.80 0.00 2.15 2.06 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 69 Y 9.01 4.26 0.00 3.02 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 70 T 7.71 5.04 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 1.22 0.00 0.00 71 D 8.43 5.08 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.21 4.19 0.00 1.92 1.92 0.00 3.04 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 73 H 8.42 4.45 0.00 3.19 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.80 4.15 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00