NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2529 8.3144 121.7896 55.9827 34.4370 176.6375 3 L 3.9767 7.8744 120.6237 56.5042 41.9596 176.7506 4 S 4.3704 8.0882 111.5141 59.6203 64.4947 174.0592 5 E 4.5082 8.0345 120.8064 56.5217 29.6120 176.4670 6 V 4.3167 7.5356 117.3970 63.5046 33.8385 177.5691 7 R 4.0888 7.9142 115.9158 58.5256 29.2152 178.4130 8 K 4.0210 7.6935 120.0521 58.9338 32.1854 178.7819 9 Q 3.9424 8.0039 117.5095 59.5013 28.8845 180.0074 10 L 4.0302 8.0768 119.6073 57.4818 41.3925 179.1905 11 E 3.8846 7.6729 118.1216 59.4240 29.7639 178.3678 12 E 4.0491 8.6026 117.8623 58.7903 29.7686 178.4833 13 A 4.1063 7.8227 120.8139 55.2825 18.4211 179.7127 14 R 3.9350 7.6421 114.5077 57.9805 31.4099 177.6480 15 K 4.5403 7.3708 119.8508 54.2638 31.1639 175.8364 16 L 4.6026 7.0100 116.9645 52.0974 46.3765 176.7816 17 S 4.2498 8.0961 116.8437 57.6116 63.9299 173.5052 18 P 4.1309 0.0000 0.0000 65.8250 31.0593 178.8978 19 V 3.5424 7.7742 116.3784 66.1170 31.3731 177.5610 20 E 3.9232 7.8108 118.5254 59.2447 29.4473 178.4915 21 L 3.9625 8.6030 119.8624 57.6899 41.7530 178.9019 22 E 3.9283 8.9170 118.6692 59.9062 29.3412 179.9545 23 K 3.9634 8.3300 118.2581 59.3933 32.0336 179.2253 24 L 4.0410 8.2184 121.0794 57.9061 42.0321 179.1513 25 V 3.4867 8.3025 118.6069 66.1915 31.6982 177.8483 26 R 4.0797 7.9839 118.3986 59.4847 29.6265 178.0860 27 E 4.0044 7.5625 118.1631 59.1899 29.8191 179.0667 28 K 4.1043 7.9324 118.1730 58.9943 31.8714 179.7571 29 K 3.9502 8.5966 119.5078 59.5157 32.2171 179.1782 30 R 3.8436 7.7745 118.4686 59.4557 29.9617 178.1062 31 E 4.0737 8.6105 119.5230 59.0673 29.5693 178.5705 32 L 3.9078 7.9886 120.4180 58.2915 42.1191 178.2410 33 M 4.0599 8.2538 118.5195 59.0073 31.9425 177.7667 34 E 3.8924 7.9563 117.8501 59.5586 29.6841 179.2525 35 L 4.0284 7.7468 118.4555 58.0491 41.7481 179.5021 36 R 3.9279 8.3480 118.0401 59.8343 29.9371 179.0335 37 F 3.9754 8.6390 115.8572 60.2626 38.9514 177.2600 38 Q 4.3263 7.8783 117.1308 58.1967 29.0048 177.7419 39 A 4.0209 8.3110 121.0294 55.0625 18.4965 179.7439 40 S 4.2509 8.0796 113.1826 61.5487 63.3013 176.4240 41 I 3.8727 7.3615 114.9949 60.6316 36.9796 178.1086 42 G 4.1771 8.1033 111.6958 46.9061 0.0000 177.5589 43 Q 4.3732 7.7913 119.4912 54.9606 27.9147 176.2973 44 L 3.9629 8.2014 126.8676 55.9865 40.8299 176.8406 45 S 4.3801 8.2863 117.0340 58.0182 64.3701 175.6761 46 Q 4.4814 8.2004 129.4211 59.1488 28.5561 180.3110 47 N 3.6500 7.6758 113.2203 53.5253 41.3260 176.5336 48 H 4.0656 8.1781 118.4799 59.4421 28.4833 177.3855 49 K 3.8533 7.8120 119.9293 59.2640 31.7696 177.7282 50 I 4.0991 9.9900 121.2922 61.6807 36.8078 178.3974 51 R 3.7311 7.4382 119.2330 59.5931 30.9774 177.8092 52 D 4.3919 8.4513 119.1686 57.5685 40.9146 178.9379 53 L 3.9143 7.4168 119.8219 58.1826 42.1773 178.7201 54 K 3.8213 8.0125 118.2586 59.9270 32.0924 179.0752 55 R 3.9086 8.2692 118.0531 59.7510 30.0695 178.3366 56 Q 3.9120 8.3925 119.1942 59.4186 28.8869 178.4320 57 I 3.6517 8.3615 120.4309 64.5843 37.1792 177.9563 58 A 3.9589 7.9268 120.9435 55.3448 18.2795 179.5051 59 R 4.0609 7.9501 116.3191 59.9043 30.2368 178.7534 60 L 3.9331 7.9726 118.1226 57.9837 41.6703 179.3180 61 L 4.0366 8.4688 118.8434 58.4568 41.4342 180.0096 62 T 3.8319 8.5198 115.6373 66.6570 68.7811 176.3069 63 V 4.5116 8.2038 121.6092 65.5891 31.4019 177.3997 64 L 3.9268 8.3954 120.2759 58.7333 41.5699 178.9099 65 N 4.3674 7.9700 114.7465 56.2007 38.6291 176.7470 66 E 4.1078 8.2136 120.1235 59.5104 29.5539 179.4155 67 K 4.0172 7.9750 117.7381 59.5912 31.9722 179.7087 68 R 4.2512 7.4852 115.2639 56.7724 30.2121 178.2650 69 R 4.2531 7.8010 120.4829 57.6117 30.3770 175.4247 70 Q 4.6508 7.4689 117.2987 56.8195 31.2374 173.5779 71 N 4.7250 8.3088 116.0377 53.1002 38.8238 174.7586 72 A 4.1769 7.7094 126.5543 52.6751 19.2280 176.9234 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 K 8.31 4.25 0.00 1.72 1.91 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.25 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 3 L 7.87 3.98 0.00 1.77 1.63 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.09 4.37 0.00 4.04 4.09 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 5 E 8.03 4.51 0.00 1.95 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 0.00 2.29 2.29 0.00 6 V 7.54 4.32 2.30 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 0.97 0.00 0.00 1.03 0.00 0.00 7 R 7.91 4.09 0.00 2.08 2.17 0.00 3.01 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 8 K 7.69 4.02 0.00 1.69 1.85 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.71 7.81 9 Q 8.00 3.94 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.72 0.00 10 L 8.08 4.03 0.00 1.83 1.71 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.67 3.88 0.00 2.27 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 2.32 2.31 0.00 12 E 8.60 4.05 0.00 1.93 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 2.32 2.37 0.00 13 A 7.82 4.11 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 14 R 7.64 3.93 0.00 1.96 2.03 0.00 3.27 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 15 K 7.37 4.54 0.00 1.83 1.76 0.00 1.71 0.00 0.00 2.04 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.38 7.81 16 L 7.01 4.60 0.00 1.88 1.51 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.10 4.25 0.00 3.91 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 18 P 0.00 4.13 0.00 2.19 2.10 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 19 V 7.77 3.54 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 1.12 0.00 0.00 0.93 0.00 0.00 20 E 7.81 3.92 0.00 2.11 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 2.30 2.35 0.00 21 L 8.60 3.96 0.00 1.78 1.68 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.92 3.93 0.00 2.11 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 0.00 2.34 2.56 0.00 23 K 8.33 3.96 0.00 2.00 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.68 7.81 24 L 8.22 4.04 0.00 1.82 1.86 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.30 3.49 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 0.93 0.00 0.00 26 R 7.98 4.08 0.00 2.08 1.95 0.00 3.13 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 27 E 7.56 4.00 0.00 2.31 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 2.30 2.46 0.00 28 K 7.93 4.10 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.59 1.63 7.81 29 K 8.60 3.95 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.59 7.81 30 R 7.77 3.84 0.00 1.97 2.08 0.00 3.07 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 31 E 8.61 4.07 0.00 2.27 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 0.00 2.30 2.30 0.00 32 L 7.99 3.91 0.00 1.97 1.78 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.25 4.06 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.48 0.00 34 E 7.96 3.89 0.00 2.31 1.99 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 2.24 2.28 0.00 35 L 7.75 4.03 0.00 2.01 1.75 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.35 3.93 0.00 2.15 2.03 0.00 3.16 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.92 0.00 37 F 8.64 3.98 0.00 3.07 3.19 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 38 Q 7.88 4.33 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 39 A 8.31 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 40 S 8.08 4.25 0.00 4.00 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 41 I 7.36 3.87 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 0.96 0.00 0.00 42 G 8.10 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.79 4.37 0.00 2.13 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 44 L 8.20 3.96 0.00 1.74 1.69 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.29 4.38 0.00 3.92 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.20 4.48 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.45 6.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 47 N 7.68 3.65 0.00 2.87 2.96 0.00 0.00 6.68 8.16 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 48 H 8.18 4.07 0.00 3.36 3.59 0.00 5.46 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.81 3.85 0.00 1.75 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.26 7.81 50 I 9.99 4.10 1.93 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 1.56 1.22 0.92 0.00 0.00 51 R 7.44 3.73 0.00 1.89 1.91 0.00 3.22 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 52 D 8.45 4.39 0.00 2.87 2.71 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 0.00 0.00 0.00 53 L 7.42 3.91 0.00 1.98 1.66 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.01 3.82 0.00 2.07 1.87 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.51 7.81 55 R 8.27 3.91 0.00 2.04 2.00 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 56 Q 8.39 3.91 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 57 I 8.36 3.65 2.03 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 1.46 0.66 0.91 0.00 0.00 58 A 7.93 3.96 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 59 R 7.95 4.06 0.00 2.08 2.02 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 60 L 7.97 3.93 0.00 1.90 1.69 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.47 4.04 0.00 1.95 1.75 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.52 3.83 4.38 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 1.21 0.00 0.00 63 V 8.20 4.51 2.23 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 1.12 0.00 0.00 1.05 0.00 0.00 64 L 8.40 3.93 0.00 1.90 1.81 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.97 4.37 0.00 3.00 2.87 0.00 0.00 7.10 6.95 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 66 E 8.21 4.11 0.00 2.15 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 2.33 2.65 0.00 67 K 7.97 4.02 0.00 2.00 1.85 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.48 7.81 68 R 7.49 4.25 0.00 1.73 1.94 0.00 3.31 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 1.83 1.77 0.00 69 R 7.80 4.25 0.00 2.08 2.01 0.00 3.31 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 70 Q 7.47 4.65 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.56 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 71 N 8.31 4.73 0.00 2.92 2.87 0.00 0.00 6.66 7.35 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 72 A 7.71 4.18 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 0.00 0.00 0.00 0.00 0.00